smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCN(CCOc2cccc(CN(C)Cc3cccs3)c2)CC1 ZINC000101955172 1069825334 /nfs/dbraw/zinc/82/53/34/1069825334.db2.gz VZQKSEHXOHGFFZ-UHFFFAOYSA-N 0 3 537.129 5.660 50 0 KKAAHN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(C)cc2)c1CN(CC)CC ZINC000002940825 1069843171 /nfs/dbraw/zinc/84/31/71/1069843171.db2.gz AJMDHHZPQBTMGL-UHFFFAOYSA-N 0 3 501.421 5.645 50 0 KKAAHN COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c1 ZINC000102261935 1069852897 /nfs/dbraw/zinc/85/28/97/1069852897.db2.gz FDFZUZKWPMKAAJ-GDLZYMKVSA-N 0 3 553.703 6.348 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1)Cc1ccc2ncccc2c1 ZINC000102410423 1069857431 /nfs/dbraw/zinc/85/74/31/1069857431.db2.gz XUKSNNQMMSTVND-RUZDIDTESA-N 0 3 547.621 6.817 50 0 KKAAHN Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000014966705 1071066253 /nfs/dbraw/zinc/06/62/53/1071066253.db2.gz YCMZCXBOFIEMFO-UHFFFAOYSA-N 0 3 517.580 5.157 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000200514735 1071290644 /nfs/dbraw/zinc/29/06/44/1071290644.db2.gz BWAUUDGRBYMXTL-ABYGYWHVSA-N 0 3 567.730 5.550 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cnsn2)c1)Cc1cccc2cccnc21 ZINC000014960963 1072893903 /nfs/dbraw/zinc/89/39/03/1072893903.db2.gz WUZCDWPOSKNROZ-DEOSSOPVSA-N 0 3 501.656 5.182 50 0 KKAAHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000001019664 551597210 /nfs/dbraw/zinc/59/72/10/551597210.db2.gz WFVVMUOCJWVLFU-XPNCQOHCSA-N 0 3 597.759 6.665 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000001274147 551635426 /nfs/dbraw/zinc/63/54/26/551635426.db2.gz BBOHAIIIDKKKOY-FCEKVYKBSA-N 0 3 556.521 5.244 50 0 KKAAHN Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CO6)CCN(C)CC4)cc3)c(C)c2)no1 ZINC000001485772 551683009 /nfs/dbraw/zinc/68/30/09/551683009.db2.gz ATQMRMGXINTJHV-UHFFFAOYSA-N 0 3 520.633 5.579 50 0 in-vivo KKAAHN COc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000001836027 551712402 /nfs/dbraw/zinc/71/24/02/551712402.db2.gz JUWWVQCOIOMOGR-MGBGTMOVSA-N 0 3 518.657 7.186 50 0 biogenic KKAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000001890283 551726312 /nfs/dbraw/zinc/72/63/12/551726312.db2.gz LTTLZXONYUPTKE-OVDFTCDZSA-N 0 3 571.485 6.911 50 0 KKAAHN CCOC(=O)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002325136 552095089 /nfs/dbraw/zinc/09/50/89/552095089.db2.gz JZLKJFUUJBMNDH-QFIPXVFZSA-N 0 3 500.507 5.468 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000002404302 552112001 /nfs/dbraw/zinc/11/20/01/552112001.db2.gz HXSMBWAGYBRALD-DSNGMDLFSA-N 0 3 549.808 6.414 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000002593452 552133497 /nfs/dbraw/zinc/13/34/97/552133497.db2.gz JSTBIZGEHTYPEI-GMQQYTKMSA-N 0 3 595.460 5.812 50 0 KKAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccc(F)cc1 ZINC000002968338 552240136 /nfs/dbraw/zinc/24/01/36/552240136.db2.gz VMFWLJBMCJGRIQ-QFIPXVFZSA-N 0 3 506.990 5.078 50 0 KKAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccc(F)cc1 ZINC000002968342 552240166 /nfs/dbraw/zinc/24/01/66/552240166.db2.gz GKXHAVVYFFFNCJ-JOCHJYFZSA-N 0 3 506.990 5.078 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968778 552242285 /nfs/dbraw/zinc/24/22/85/552242285.db2.gz YZAVWQXWIXVQOE-LOSJGSFVSA-N 0 3 574.106 5.198 50 0 KKAAHN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000003061372 552282371 /nfs/dbraw/zinc/28/23/71/552282371.db2.gz JVHQDVYIXWRYDX-AWSUPERCSA-N 0 3 551.756 6.766 50 0 KKAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062549 552283446 /nfs/dbraw/zinc/28/34/46/552283446.db2.gz FPSGMIQCHGQJRH-BDRDOBMZSA-N 0 3 529.681 6.110 50 0 KKAAHN CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)C(c3ccccc3)c3ccccc3)c(CN(C)C)c21 ZINC000003279914 552335577 /nfs/dbraw/zinc/33/55/77/552335577.db2.gz CXVVEPWWPFIFLW-UHFFFAOYSA-N 0 3 533.624 7.076 50 0 KKAAHN CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)/C=C/c3ccc4c(c3)OCO4)c(CN(C)C)c21 ZINC000003319768 552355286 /nfs/dbraw/zinc/35/52/86/552355286.db2.gz FHCPOZRZVPWVSU-RVDMUPIBSA-N 0 3 513.546 5.686 50 0 KKAAHN CCOC(=O)c1c2c(sc1NC=C1c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C1=O)C(C)(C)NC(C)(C)C2 ZINC000003410740 552381876 /nfs/dbraw/zinc/38/18/76/552381876.db2.gz SOMMQCZDEQGXBG-OQKWZONESA-N 0 3 589.714 5.741 50 0 KKAAHN COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1Cl ZINC000006288741 552578662 /nfs/dbraw/zinc/57/86/62/552578662.db2.gz DOVBOJPFPUKKMX-UHFFFAOYSA-N 0 3 529.493 5.451 50 0 KKAAHN CC(C)(C)C1CCC(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000008431529 553023378 /nfs/dbraw/zinc/02/33/78/553023378.db2.gz JTVOVRLUTXDTFK-BQCMWAFGSA-N 0 3 506.687 5.130 50 0 KKAAHN Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H]2C(Oc3ccccc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000008439664 553035970 /nfs/dbraw/zinc/03/59/70/553035970.db2.gz FLUZTMKAFAKIJL-URLMMPGGSA-N 0 3 512.631 5.628 50 0 KKAAHN O=C(c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444010 553048790 /nfs/dbraw/zinc/04/87/90/553048790.db2.gz QFPWVIAGFDXMQI-UHFFFAOYSA-N 0 3 588.472 5.904 50 0 KKAAHN O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454549 553069253 /nfs/dbraw/zinc/06/92/53/553069253.db2.gz HVWUEARPJITHSF-UHFFFAOYSA-N 0 3 622.917 6.558 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000008749492 553134877 /nfs/dbraw/zinc/13/48/77/553134877.db2.gz WOMIVVVCLHIQKL-QOZHDYOESA-N 0 3 610.843 6.777 50 0 KKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763379 553137803 /nfs/dbraw/zinc/13/78/03/553137803.db2.gz WDSMVGBNMQDOOZ-GDLZYMKVSA-N 0 3 514.691 7.263 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008836255 553162876 /nfs/dbraw/zinc/16/28/76/553162876.db2.gz WTSCZGUKFYBRBM-OAQYLSRUSA-N 0 3 519.281 5.957 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000009185419 553217257 /nfs/dbraw/zinc/21/72/57/553217257.db2.gz DDLTVXAHSAVDRX-MHZLTWQESA-N 0 3 522.476 7.530 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4c(C)cccc4C)nn3cnc1O2 ZINC000009453550 553266122 /nfs/dbraw/zinc/26/61/22/553266122.db2.gz SPJQJISZFPOSAL-XMMPIXPASA-N 0 3 504.550 5.693 50 0 KKAAHN CC(C)c1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1 ZINC000009665115 553293476 /nfs/dbraw/zinc/29/34/76/553293476.db2.gz PZRVDPXCHKBYDJ-UHFFFAOYSA-N 0 3 520.724 5.951 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000009857855 553313806 /nfs/dbraw/zinc/31/38/06/553313806.db2.gz KJKYZOJOYBHPNK-XZWHSSHBSA-N 0 3 529.750 6.022 50 0 KKAAHN Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)s1 ZINC000012122239 553351663 /nfs/dbraw/zinc/35/16/63/553351663.db2.gz OSCPQBYIUOGDAM-MHZLTWQESA-N 0 3 513.707 6.701 50 0 KKAAHN COc1ccc(NC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@@H](C)C2)c(C)c1 ZINC000012282329 553356278 /nfs/dbraw/zinc/35/62/78/553356278.db2.gz HETQYIZWOAJJHD-HXUWFJFHSA-N 0 3 502.611 5.649 50 0 KKAAHN Cc1nc2sc3c(nc(NCCCN(C)C)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013135674 553452810 /nfs/dbraw/zinc/45/28/10/553452810.db2.gz LBEXKXWKVOESKC-UHFFFAOYSA-N 0 3 512.079 5.172 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000013777946 553490152 /nfs/dbraw/zinc/49/01/52/553490152.db2.gz HIOGIZPYTOEBLB-IARZGTGTSA-N 0 3 516.594 5.324 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000013807281 553492053 /nfs/dbraw/zinc/49/20/53/553492053.db2.gz DZRIKHROLQXSLL-QHAWAJNXSA-N 0 3 507.295 6.063 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000016000692 553549905 /nfs/dbraw/zinc/54/99/05/553549905.db2.gz WTVFNLGSSLDTBR-KCIBBDPESA-N 0 3 514.556 5.682 50 0 KKAAHN Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H]2C(Oc3ccccc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000017197526 553590183 /nfs/dbraw/zinc/59/01/83/553590183.db2.gz FLUZTMKAFAKIJL-FQLXRVMXSA-N 0 3 512.631 5.628 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cccc2C)s1 ZINC000017287578 553592015 /nfs/dbraw/zinc/59/20/15/553592015.db2.gz YUYSJHABZCCBAC-UHFFFAOYSA-N 0 3 528.744 5.158 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(O)c(c3CCN1C)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2 ZINC000070665313 553596100 /nfs/dbraw/zinc/59/61/00/553596100.db2.gz CASHVZNATRNXDE-IHLOFXLRSA-N 0 3 608.735 6.859 50 0 biogenic,in-vitro KKAAHN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070672932 553603103 /nfs/dbraw/zinc/60/31/03/553603103.db2.gz UVVRCAOQNORAME-SWQVUISVSA-N 0 3 525.862 8.816 50 0 biogenic KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000018117815 553605049 /nfs/dbraw/zinc/60/50/49/553605049.db2.gz WJBKNADKNWZSOA-CYXNTTPDSA-N 0 3 500.938 5.259 50 0 KKAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)CN2CCN(C)CC2)c2ccccc12 ZINC000019367742 553614056 /nfs/dbraw/zinc/61/40/56/553614056.db2.gz KUXIXKQQVHSSSQ-HHHXNRCGSA-N 0 3 539.720 5.636 50 0 KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000020242441 553627298 /nfs/dbraw/zinc/62/72/98/553627298.db2.gz TXTASJUTNZLQPO-DIPNUNPCSA-N 0 3 521.658 5.005 50 0 KKAAHN CC(C)CC[C@@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020386591 553644091 /nfs/dbraw/zinc/64/40/91/553644091.db2.gz BUBPACAMFNRYID-OAQYLSRUSA-N 0 3 515.521 6.588 50 0 KKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412838 553647427 /nfs/dbraw/zinc/64/74/27/553647427.db2.gz GCGDEQDQFMMORL-JKPJYHRWSA-N 0 3 519.129 6.361 50 0 biogenic KKAAHN c1ccc(-c2oc3ncn4nc(CCN5CCCC[C@@H]5c5cccnc5)nc4c3c2-c2ccccc2)cc1 ZINC000020437264 553648676 /nfs/dbraw/zinc/64/86/76/553648676.db2.gz VMUNPUZYQPNZMA-RUZDIDTESA-N 0 3 500.606 6.369 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508481 553668054 /nfs/dbraw/zinc/66/80/54/553668054.db2.gz XOMYJDZULCAASN-FQLXRVMXSA-N 0 3 530.738 5.461 50 0 KKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000020611947 553679663 /nfs/dbraw/zinc/67/96/63/553679663.db2.gz CVOXPHSKZYIAOW-FDCUTXSFSA-N 0 3 518.648 5.906 50 0 biogenic KKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612098 553679735 /nfs/dbraw/zinc/67/97/35/553679735.db2.gz UPYWLQWRUNUSPT-YBLDIBISSA-N 0 3 517.113 6.281 50 0 biogenic KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3nc3c2CCCC3)cc1OC ZINC000020105310 553689325 /nfs/dbraw/zinc/68/93/25/553689325.db2.gz HOJZAPOUDLYZGA-UHFFFAOYSA-N 0 3 521.539 7.146 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C ZINC000085977441 553692507 /nfs/dbraw/zinc/69/25/07/553692507.db2.gz QAFGBLDGRLFICB-URLMMPGGSA-N 0 3 638.761 6.868 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736269 553693783 /nfs/dbraw/zinc/69/37/83/553693783.db2.gz GOPSKIDWPPBPST-YNAQZEJMSA-N 0 3 515.654 5.720 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCCCC)cc2)CN2CCCCC2)cc1 ZINC000095785648 553713115 /nfs/dbraw/zinc/71/31/15/553713115.db2.gz JCFZFJXVZYBZTM-AQOUDTPCSA-N 0 3 604.876 8.094 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1)NCCN1CCCC1 ZINC000096275466 553732499 /nfs/dbraw/zinc/73/24/99/553732499.db2.gz ASVORZDZWZNDMU-HHHXNRCGSA-N 0 3 519.611 6.442 50 0 KKAAHN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)c3cc(C)ccc3F)c3ccccc32)cc1 ZINC000096287407 553738280 /nfs/dbraw/zinc/73/82/80/553738280.db2.gz DGKJOTKXVBBBHA-MHZLTWQESA-N 0 3 513.657 5.880 50 0 KKAAHN O=C(CCn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21)NCCN1CCCC1 ZINC000096288631 553740553 /nfs/dbraw/zinc/74/05/53/553740553.db2.gz WJXGSHVUGIPUHX-UHFFFAOYSA-N 0 3 514.284 5.843 50 0 KKAAHN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn21)NCCN1CCCC1 ZINC000096289929 553742530 /nfs/dbraw/zinc/74/25/30/553742530.db2.gz YKWBRCSOKMZCPP-UHFFFAOYSA-N 0 3 507.465 6.120 50 0 KKAAHN CCOC(=O)[C@@H]1C[C@H]1CN1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659970 553748754 /nfs/dbraw/zinc/74/87/54/553748754.db2.gz YJVBXGFMMSQTKM-WIOPSUGQSA-N 0 3 505.486 5.306 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022924971 553767510 /nfs/dbraw/zinc/76/75/10/553767510.db2.gz FQNIZHZPCDPSFY-SSEXGKCCSA-N 0 3 501.674 6.154 50 0 KKAAHN O[C@@H](COc1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000097944140 553768746 /nfs/dbraw/zinc/76/87/46/553768746.db2.gz HOBJQNDPHXNUGP-XPSQVAKYSA-N 0 3 616.802 6.571 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000023129028 553770727 /nfs/dbraw/zinc/77/07/27/553770727.db2.gz ZWJYVWCSDUACGV-BHBYDHKZSA-N 0 3 534.144 5.230 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(COc5ccccc5)nc4c32)cc1OC ZINC000097954163 553821559 /nfs/dbraw/zinc/82/15/59/553821559.db2.gz ZSABOOONXDDYDY-HHHXNRCGSA-N 0 3 546.587 5.501 50 0 KKAAHN COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000027585382 553835581 /nfs/dbraw/zinc/83/55/81/553835581.db2.gz NDANVFLWWIJPOH-UHFFFAOYSA-N 0 3 533.676 5.942 50 0 KKAAHN O=C(c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354946 553932178 /nfs/dbraw/zinc/93/21/78/553932178.db2.gz JOTRDKSLKYGTNC-UHFFFAOYSA-N 0 3 533.982 5.388 50 0 KKAAHN COc1ccc(-n2ncc(C(=O)NCCCN3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000033355772 553936908 /nfs/dbraw/zinc/93/69/08/553936908.db2.gz WIJOZENIGYMMPC-UHFFFAOYSA-N 0 3 573.738 5.174 50 0 KKAAHN CC[C@@H](c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(CN2CCCC2)c1)[C@H](CC)c1ccc(OC)cc1 ZINC000097973075 553968213 /nfs/dbraw/zinc/96/82/13/553968213.db2.gz CLTWNWVTOBHGEJ-AMAPPZPBSA-N 0 3 589.820 8.985 50 0 KKAAHN CCCC[C@@H](CC)C(=O)N(CCN1CCCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000033793173 553974094 /nfs/dbraw/zinc/97/40/94/553974094.db2.gz RCACJCGFJQZDJG-RUZDIDTESA-N 0 3 515.739 5.865 50 0 KKAAHN COc1cc(CN2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669909 553982251 /nfs/dbraw/zinc/98/22/51/553982251.db2.gz GQFCRXRYAJLBCZ-WNCULLNHSA-N 0 3 512.572 5.992 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671776 553982326 /nfs/dbraw/zinc/98/23/26/553982326.db2.gz NUKYPGXWXORPRV-HEVIKAOCSA-N 0 3 518.701 6.925 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671619 553982547 /nfs/dbraw/zinc/98/25/47/553982547.db2.gz AXSHSLGNMFARCU-JHOUSYSJSA-N 0 3 519.689 6.054 50 0 KKAAHN COc1cc(CN2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)cc(OC)c1 ZINC000034698964 553991952 /nfs/dbraw/zinc/99/19/52/553991952.db2.gz ZXOFJOFVHPIAAQ-ABYGYWHVSA-N 0 3 504.646 5.857 50 0 KKAAHN CC(C)N(C[C@@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699156 553992481 /nfs/dbraw/zinc/99/24/81/553992481.db2.gz BANXZYFKGPGFNK-BKMJKUGQSA-N 0 3 501.568 5.949 50 0 KKAAHN Cc1cc([C@@H]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716674 553995565 /nfs/dbraw/zinc/99/55/65/553995565.db2.gz VPGIDMQPCKRJFS-PKTZIBPZSA-N 0 3 518.982 6.728 50 0 KKAAHN Cc1cc([C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716780 553995612 /nfs/dbraw/zinc/99/56/12/553995612.db2.gz QOWNPVISDLPHGN-IZLXSDGUSA-N 0 3 503.637 5.223 50 0 KKAAHN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034830121 554014322 /nfs/dbraw/zinc/01/43/22/554014322.db2.gz MGLFGDLKKIEGCG-XJFCNFDWSA-N 0 3 529.750 5.801 50 0 KKAAHN CC[C@@H](C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830249 554014890 /nfs/dbraw/zinc/01/48/90/554014890.db2.gz IYXQGTVXRXKXOE-NEEKEDPPSA-N 0 3 529.750 5.649 50 0 KKAAHN COc1ccccc1N1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000097984243 554015073 /nfs/dbraw/zinc/01/50/73/554015073.db2.gz NUXKPGCAKGEFRQ-HXUWFJFHSA-N 0 3 573.329 5.511 50 0 KKAAHN CCN1CCN(c2c(CN(Cc3ccc(C(C)C)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836376 554020536 /nfs/dbraw/zinc/02/05/36/554020536.db2.gz VFRUBCBEVOFWPN-UHFFFAOYSA-N 0 3 505.726 6.243 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000097986456 554024396 /nfs/dbraw/zinc/02/43/96/554024396.db2.gz JKBGJHNTTIDYDC-WXFUMESZSA-N 0 3 571.482 6.080 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1 ZINC000034910117 554028968 /nfs/dbraw/zinc/02/89/68/554028968.db2.gz LUYYLFXINKEKOW-UHFFFAOYSA-N 0 3 521.709 5.276 50 0 KKAAHN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005992 554060226 /nfs/dbraw/zinc/06/02/26/554060226.db2.gz KMHYZAIQYYMDLL-SXWRLULGSA-N 0 3 543.634 5.279 50 0 KKAAHN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000035774033 554073634 /nfs/dbraw/zinc/07/36/34/554073634.db2.gz BCKMHUYGHAISMA-NSOVKSMOSA-N 0 3 533.713 5.453 50 0 KKAAHN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842657 554081154 /nfs/dbraw/zinc/08/11/54/554081154.db2.gz LYLOPIVBZOZREF-UHFFFAOYSA-N 0 3 507.719 5.146 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)C(C)C ZINC000035842591 554081237 /nfs/dbraw/zinc/08/12/37/554081237.db2.gz OWCCRSJRXLJGMQ-PMERELPUSA-N 0 3 505.747 6.012 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000035843224 554081547 /nfs/dbraw/zinc/08/15/47/554081547.db2.gz YBBWWYMELMAGHI-ACIRYHQQSA-N 0 3 508.593 5.723 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccccc2C)c(C)c1 ZINC000098012068 554087407 /nfs/dbraw/zinc/08/74/07/554087407.db2.gz DDEPRSJVQFAWHF-YTTGMZPUSA-N 0 3 567.759 5.312 50 0 KKAAHN Cc1cc(Oc2cnn(-c3ccccc3Cl)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)ccc1Cl ZINC000098015639 554101298 /nfs/dbraw/zinc/10/12/98/554101298.db2.gz YVIWKYPLQGLFDG-UHFFFAOYSA-N 0 3 552.462 5.675 50 0 KKAAHN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)Nc2ccc(C)cc2)cc1OC ZINC000098019737 554114426 /nfs/dbraw/zinc/11/44/26/554114426.db2.gz AGFZZXWJVZRLCC-UHFFFAOYSA-N 0 3 562.711 5.115 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1 ZINC000098043737 554128555 /nfs/dbraw/zinc/12/85/55/554128555.db2.gz IFUTVBBIKMJMLR-RPBOFIJWSA-N 0 3 769.376 7.230 50 0 KKAAHN CC(C)c1ccc(NC(=O)CCCC(=O)Nc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000098045558 554132410 /nfs/dbraw/zinc/13/24/10/554132410.db2.gz UADDHYRQYHMWEW-UHFFFAOYSA-N 0 3 574.769 7.469 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCN(C[C@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048142 554159745 /nfs/dbraw/zinc/15/97/45/554159745.db2.gz VZODFMDSMOQRNS-CXNSMIOJSA-N 0 3 765.014 9.920 50 0 KKAAHN CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CCN2CCCC2)C(=O)C2CCCC2)cc1 ZINC000036116629 554182104 /nfs/dbraw/zinc/18/21/04/554182104.db2.gz LLIAAPYILDZTRL-NDEPHWFRSA-N 0 3 537.770 5.491 50 0 KKAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000036249649 554210215 /nfs/dbraw/zinc/21/02/15/554210215.db2.gz POXCDPXIZRCHJJ-UHFFFAOYSA-N 0 3 510.082 6.360 50 0 KKAAHN Cc1cccc(Oc2c(CN(C[C@@H](O)COCc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306546 554215779 /nfs/dbraw/zinc/21/57/79/554215779.db2.gz NNGGGJMAAREVFY-MUUNZHRXSA-N 0 3 511.666 5.978 50 0 KKAAHN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316106 554219621 /nfs/dbraw/zinc/21/96/21/554219621.db2.gz MDWHXRRIHVFINP-QHCPKHFHSA-N 0 3 501.618 5.649 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037524007 554250106 /nfs/dbraw/zinc/25/01/06/554250106.db2.gz VARBROKZCAHOAP-LITSAYRRSA-N 0 3 526.618 7.167 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523999 554250124 /nfs/dbraw/zinc/25/01/24/554250124.db2.gz CKYFFCMWEQOLFE-RPLLCQBOSA-N 0 3 530.581 6.998 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524154 554250369 /nfs/dbraw/zinc/25/03/69/554250369.db2.gz SAVYTGWDLKJHKL-XRKRLSELSA-N 0 3 508.628 7.028 50 0 KKAAHN O[C@H](COc1ccc(OC[C@@H](O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000049763206 554325394 /nfs/dbraw/zinc/32/53/94/554325394.db2.gz GXJZUJYXQQSZAJ-HEVIKAOCSA-N 0 3 722.930 5.941 50 0 KKAAHN COc1cc([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356147 554344720 /nfs/dbraw/zinc/34/47/20/554344720.db2.gz SBJYLUVEUBELOW-GOXGLGGOSA-N 0 3 552.074 6.980 50 0 KKAAHN COc1cc([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356156 554344943 /nfs/dbraw/zinc/34/49/43/554344943.db2.gz SBJYLUVEUBELOW-ZOYWYXQUSA-N 0 3 552.074 6.980 50 0 KKAAHN CCCN1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000100684074 554448934 /nfs/dbraw/zinc/44/89/34/554448934.db2.gz YJYZLUOIRGJXDO-RUZDIDTESA-N 0 3 569.341 7.110 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2ccc(C)cc2s1 ZINC000060209660 554503469 /nfs/dbraw/zinc/50/34/69/554503469.db2.gz CHBNOAZPODOOAD-UHFFFAOYSA-N 0 3 562.761 5.735 50 0 KKAAHN CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2c1 ZINC000060209735 554503696 /nfs/dbraw/zinc/50/36/96/554503696.db2.gz IMCBRVYGMSFKBG-UHFFFAOYSA-N 0 3 580.776 5.504 50 0 KKAAHN CCCCOc1ccc([C@](O)(CCC)[C@@H](CN2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426874 554508637 /nfs/dbraw/zinc/50/86/37/554508637.db2.gz ZGIIRWXTCHNSIL-BHDXBOSCSA-N 0 3 504.690 6.598 50 0 KKAAHN CCCCOc1ccc([C@@](O)(CCCC)[C@H](CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515019 554509785 /nfs/dbraw/zinc/50/97/85/554509785.db2.gz KEVZOGUKXGKGJX-SAIUNTKASA-N 0 3 518.717 6.988 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000064261564 554510783 /nfs/dbraw/zinc/51/07/83/554510783.db2.gz HZGVYCKFXUCJKR-MKRXODRLSA-N 0 3 583.368 6.011 50 0 KKAAHN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009609 554557156 /nfs/dbraw/zinc/55/71/56/554557156.db2.gz RADVIKCJDOXKSC-JSOSNVBQSA-N 0 3 571.718 5.184 50 0 KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2ccccc2Cl)SCC1=O ZINC000101050676 554568759 /nfs/dbraw/zinc/56/87/59/554568759.db2.gz NRBGTYDVTVBPFK-GDLZYMKVSA-N 0 3 578.113 5.179 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101075953 554577486 /nfs/dbraw/zinc/57/74/86/554577486.db2.gz WFEJDWMJQSCMGU-KWXIBIRDSA-N 0 3 605.466 5.268 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccn2)[C@@]12c1ccccc1NC2=O ZINC000101117407 554643405 /nfs/dbraw/zinc/64/34/05/554643405.db2.gz GQOFGXQIZIXTCU-UUQNIDNHSA-N 0 3 511.581 5.246 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101168880 554661300 /nfs/dbraw/zinc/66/13/00/554661300.db2.gz YOUZGMQPDKYUSK-NLDZOOGBSA-N 0 3 530.621 5.714 50 0 KKAAHN CN(CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202370 554672942 /nfs/dbraw/zinc/67/29/42/554672942.db2.gz PKPVAUJGGSQOMJ-AXGKCNHXSA-N 0 3 625.597 5.054 50 0 biogenic KKAAHN CN(CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202375 554672952 /nfs/dbraw/zinc/67/29/52/554672952.db2.gz PKPVAUJGGSQOMJ-BIRRFFDLSA-N 0 3 625.597 5.054 50 0 biogenic KKAAHN CN(CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202836 554673266 /nfs/dbraw/zinc/67/32/66/554673266.db2.gz KBLHILREQNVSSP-AXGKCNHXSA-N 0 3 625.597 5.054 50 0 biogenic KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101204142 554674020 /nfs/dbraw/zinc/67/40/20/554674020.db2.gz PYKBDSGRJSXQIY-VSKRKVRLSA-N 0 3 513.775 5.162 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101206473 554676132 /nfs/dbraw/zinc/67/61/32/554676132.db2.gz HFRUBRGONLVFPZ-ZXFZPVEDSA-N 0 3 539.635 5.945 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101210722 554679332 /nfs/dbraw/zinc/67/93/32/554679332.db2.gz AMHLAVZLNYUKGP-KALPRAJFSA-N 0 3 537.830 6.209 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101240176 554693155 /nfs/dbraw/zinc/69/31/55/554693155.db2.gz HLOTYTHFZXMWAA-CYXNTTPDSA-N 0 3 529.390 5.662 50 0 KKAAHN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCC(C)CC3)C2=S)cc1Cl ZINC000101254200 554694599 /nfs/dbraw/zinc/69/45/99/554694599.db2.gz RLMRHZGBIQIDEH-JOCHJYFZSA-N 0 3 549.524 5.065 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386159 554751244 /nfs/dbraw/zinc/75/12/44/554751244.db2.gz GJSVJJZDFSNHED-BFGHFXMOSA-N 0 3 605.827 7.058 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386175 554751436 /nfs/dbraw/zinc/75/14/36/554751436.db2.gz IRTMCEUDIVAEBN-BFGHFXMOSA-N 0 3 606.815 6.199 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000101386228 554751541 /nfs/dbraw/zinc/75/15/41/554751541.db2.gz XAPJFJSMPHQWMJ-PZSMLTKBSA-N 0 3 647.864 6.575 50 0 KKAAHN CC(=O)Nc1c2c(C)c(C)sc2n2c1C(=O)N(CCCN1CCCCC1)[C@](C)(C(=O)NC1CCCCCC1)C2 ZINC000101489737 554785834 /nfs/dbraw/zinc/78/58/34/554785834.db2.gz VPYVLJJWAZVEAY-PMERELPUSA-N 0 3 555.789 5.208 50 0 KKAAHN O=C(NCCCN(Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101617756 554806393 /nfs/dbraw/zinc/80/63/93/554806393.db2.gz MRCUCPRDJPJKLX-KYJUHHDHSA-N 0 3 545.749 6.516 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101672482 554826125 /nfs/dbraw/zinc/82/61/25/554826125.db2.gz HXMUMYVNZGBUIT-NLDZOOGBSA-N 0 3 585.454 6.088 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000101858143 554844001 /nfs/dbraw/zinc/84/40/01/554844001.db2.gz OINHESYYRPLJTO-MUAVYFROSA-N 0 3 586.102 6.185 50 0 KKAAHN CSc1ccc(NC(=O)CC[C@H]2CN(Cc3cccnc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101889691 554846221 /nfs/dbraw/zinc/84/62/21/554846221.db2.gz CUAGNCQUIQXJME-SETSBSEESA-N 0 3 597.751 6.254 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000102096306 554879452 /nfs/dbraw/zinc/87/94/52/554879452.db2.gz LRLFKNQGLFKLBZ-GGXMVOPNSA-N 0 3 576.625 8.047 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102129997 554884886 /nfs/dbraw/zinc/88/48/86/554884886.db2.gz NREJDIFQLLGVIE-UHFFFAOYSA-N 0 3 606.211 6.591 50 0 KKAAHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102130297 554885277 /nfs/dbraw/zinc/88/52/77/554885277.db2.gz LBOHVNPPIYAMTB-UHFFFAOYSA-N 0 3 601.792 5.946 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136026 554887759 /nfs/dbraw/zinc/88/77/59/554887759.db2.gz PFYCXLBTXSSNCF-QDPGVEIFSA-N 0 3 541.589 5.531 50 0 KKAAHN CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1C1Cc2ccccc2C1 ZINC000102265607 554905373 /nfs/dbraw/zinc/90/53/73/554905373.db2.gz TYNHJOGCEKKWMU-NAKRPHOHSA-N 0 3 538.742 6.139 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000102414023 554924317 /nfs/dbraw/zinc/92/43/17/554924317.db2.gz PYYPOXFHMHPETR-UHFFFAOYSA-N 0 3 540.042 6.250 50 0 KKAAHN Cc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)NCCN2CCCCC2)cc1 ZINC000102476824 554936891 /nfs/dbraw/zinc/93/68/91/554936891.db2.gz LNFCRGZTLKJYGD-UHFFFAOYSA-N 0 3 537.626 6.005 50 0 KKAAHN COc1ccc(S[C@H]2C[C@@H](C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc(OC)c(C)c3)C2)cc1 ZINC000102524807 554951678 /nfs/dbraw/zinc/95/16/78/554951678.db2.gz KUACFDRJIHBCCM-JVUXQOOBSA-N 0 3 589.846 5.716 50 0 KKAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102530563 554953618 /nfs/dbraw/zinc/95/36/18/554953618.db2.gz MHKOVORKDBZYRI-PMERELPUSA-N 0 3 590.746 5.014 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102555786 554964305 /nfs/dbraw/zinc/96/43/05/554964305.db2.gz HUFSSWPPXLWONS-JBOQNHBVSA-N 0 3 555.030 6.369 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102560810 554967876 /nfs/dbraw/zinc/96/78/76/554967876.db2.gz SGRUXFBROPZOQY-VJGNERBWSA-N 0 3 616.411 5.562 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102738963 555027625 /nfs/dbraw/zinc/02/76/25/555027625.db2.gz HXSMBWAGYBRALD-CCDWMCETSA-N 0 3 549.808 6.414 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102742761 555032566 /nfs/dbraw/zinc/03/25/66/555032566.db2.gz CFJLSOMVIOXMQA-JCYYIGJDSA-N 0 3 538.531 5.105 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[C@H]3C2=O)c1 ZINC000102744099 555035233 /nfs/dbraw/zinc/03/52/33/555035233.db2.gz UDLZVMLPKSEDRB-STROYTFGSA-N 0 3 512.650 6.347 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(OC)cc4)C(=O)N32)cc1 ZINC000102746895 555039757 /nfs/dbraw/zinc/03/97/57/555039757.db2.gz LXZKZRWEDINBLS-KAYWLYCHSA-N 0 3 583.714 5.073 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102747463 555041168 /nfs/dbraw/zinc/04/11/68/555041168.db2.gz HOFYLJBFMFOMSY-JCYYIGJDSA-N 0 3 504.542 5.265 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000102752267 555044876 /nfs/dbraw/zinc/04/48/76/555044876.db2.gz BXVYQPYEAARMPL-SVBPBHIXSA-N 0 3 567.715 5.107 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102754037 555046072 /nfs/dbraw/zinc/04/60/72/555046072.db2.gz AZTWLJFHYAFNLG-OYUWMTPXSA-N 0 3 524.960 5.610 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102757933 555050361 /nfs/dbraw/zinc/05/03/61/555050361.db2.gz WJBKNADKNWZSOA-TWJOJJKGSA-N 0 3 500.938 5.259 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(Br)ccc4OC)[C@@H]3C2=O)cc1 ZINC000102759969 555051767 /nfs/dbraw/zinc/05/17/67/555051767.db2.gz SCCKIMDCSYGQJK-CCDWMCETSA-N 0 3 537.410 5.298 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C1=O ZINC000102762181 555053125 /nfs/dbraw/zinc/05/31/25/555053125.db2.gz ATNWEVGNFUJBPF-BHDDXSALSA-N 0 3 502.876 5.598 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102780075 555065411 /nfs/dbraw/zinc/06/54/11/555065411.db2.gz CLLZPIUZJCWBOZ-QMFOPCRCSA-N 0 3 532.109 6.234 50 0 KKAAHN Cc1cccc(CN2c3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787859 555068296 /nfs/dbraw/zinc/06/82/96/555068296.db2.gz SASQWMFCFJWEBY-VQNDASPWSA-N 0 3 573.762 7.069 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000102860626 555090967 /nfs/dbraw/zinc/09/09/67/555090967.db2.gz BEHKNDPLVAUERG-KMDXXIMOSA-N 0 3 571.482 6.162 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102886707 555117283 /nfs/dbraw/zinc/11/72/83/555117283.db2.gz TZUNLFJDWCLZIL-JBOQNHBVSA-N 0 3 599.481 6.396 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102886765 555117297 /nfs/dbraw/zinc/11/72/97/555117297.db2.gz VAQHQBSKIMNHHU-MJSOWUPRSA-N 0 3 576.630 5.659 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102892152 555128121 /nfs/dbraw/zinc/12/81/21/555128121.db2.gz FPZGGSJOLALZIE-DSNGMDLFSA-N 0 3 574.247 7.611 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102892148 555128154 /nfs/dbraw/zinc/12/81/54/555128154.db2.gz FPZGGSJOLALZIE-UBFVSLLYSA-N 0 3 574.247 7.611 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102895455 555134251 /nfs/dbraw/zinc/13/42/51/555134251.db2.gz XQCRCPJDQNIMTH-ZONZVBGPSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000102895779 555135244 /nfs/dbraw/zinc/13/52/44/555135244.db2.gz CEPACTMFKHAIAN-XYIJYTLJSA-N 0 3 555.634 5.645 50 0 KKAAHN CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)NC3CCN(Cc4ccccc4)CC3)=CSC2=N1 ZINC000102936870 555164864 /nfs/dbraw/zinc/16/48/64/555164864.db2.gz YKZOTUBVQFVUAC-NDEPHWFRSA-N 0 3 548.684 5.135 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)[C@@H]([C@@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000103047106 555228810 /nfs/dbraw/zinc/22/88/10/555228810.db2.gz SFFJARIKISDPGV-GEIIOTBESA-N 0 3 534.660 5.738 50 0 KKAAHN Cc1ccc(-n2nc(-c3cccs3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccc(Cl)c2)cc1 ZINC000103059736 555240100 /nfs/dbraw/zinc/24/01/00/555240100.db2.gz QTODDOOFHJJVDZ-NDEPHWFRSA-N 0 3 580.179 5.410 50 0 KKAAHN COc1cccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2cccc(C)c2)c1 ZINC000103252819 555344348 /nfs/dbraw/zinc/34/43/48/555344348.db2.gz AWUAKZYHPMYJGI-UHFFFAOYSA-N 0 3 546.071 5.152 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000103259809 555346665 /nfs/dbraw/zinc/34/66/65/555346665.db2.gz XTRNVABMZXBDQI-XPWALMASSA-N 0 3 557.455 5.771 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000103307652 555356800 /nfs/dbraw/zinc/35/68/00/555356800.db2.gz ODRKGTRSVZNQBV-UHFFFAOYSA-N 0 3 552.641 5.633 50 0 KKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)c3cccc(Oc4ccccc4)c3)c3ccccc32)cc1 ZINC000103421183 555401911 /nfs/dbraw/zinc/40/19/11/555401911.db2.gz KCOFFWSIPBRFHL-UUWRZZSWSA-N 0 3 557.738 7.524 50 0 KKAAHN COc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(OC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000103427966 555409910 /nfs/dbraw/zinc/40/99/10/555409910.db2.gz AGRSGNUUBCOKQB-UHFFFAOYSA-N 0 3 582.506 5.374 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1)NCCN1CCCC1 ZINC000103429973 555412636 /nfs/dbraw/zinc/41/26/36/555412636.db2.gz XGGBDBCINDOCAU-VWLOTQADSA-N 0 3 554.056 7.096 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103523661 555427542 /nfs/dbraw/zinc/42/75/42/555427542.db2.gz QEIGNHXEFMNDAG-APSVEGKFSA-N 0 3 543.069 6.319 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000103559927 555448253 /nfs/dbraw/zinc/44/82/53/555448253.db2.gz BVPTWCNALFELOH-YSGXDJDMSA-N 0 3 595.449 5.907 50 0 KKAAHN CN1CCN(C[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CN4CCN(C)CC4)c(Br)c3)cc2Br)CC1 ZINC000150477104 562843459 /nfs/dbraw/zinc/84/34/59/562843459.db2.gz ZRCYESYLJMBTMQ-DNQXCXABSA-N 0 3 856.333 5.037 50 0 KKAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000104784463 571386202 /nfs/dbraw/zinc/38/62/02/571386202.db2.gz FZAKQMOUQLKEDH-XPWALMASSA-N 0 3 573.274 5.578 50 0 KKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@H]2c2ccccc2)c1 ZINC000105022708 571389481 /nfs/dbraw/zinc/38/94/81/571389481.db2.gz SJICJDFQSJIVDR-GPNASLBKSA-N 0 3 508.637 6.366 50 0 KKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105042227 571390260 /nfs/dbraw/zinc/39/02/60/571390260.db2.gz CNTXCCWOMMLYHD-YIXXDRMTSA-N 0 3 516.579 6.760 50 0 KKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1 ZINC000105046465 571390421 /nfs/dbraw/zinc/39/04/21/571390421.db2.gz GLMDYCBUKYPIDM-FCHUYYIVSA-N 0 3 504.955 6.420 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000105796757 571408923 /nfs/dbraw/zinc/40/89/23/571408923.db2.gz BDJWIZPTFYWCMS-UODIDJSMSA-N 0 3 551.437 5.688 50 0 KKAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000105906409 571409299 /nfs/dbraw/zinc/40/92/99/571409299.db2.gz BVHGOJINBRCZKA-BHDDXSALSA-N 0 3 530.886 5.197 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000106017611 571410612 /nfs/dbraw/zinc/41/06/12/571410612.db2.gz MQTZMIAOJDTZAC-MPFGFTFXSA-N 0 3 585.454 6.088 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106019789 571410699 /nfs/dbraw/zinc/41/06/99/571410699.db2.gz DCSMQSUQPJLMAR-JCYYIGJDSA-N 0 3 607.421 6.411 50 0 KKAAHN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915412 571443894 /nfs/dbraw/zinc/44/38/94/571443894.db2.gz HIHOWBSBBDRPDW-RTYCRPBZSA-N 0 3 500.812 7.684 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000136642405 571449685 /nfs/dbraw/zinc/44/96/85/571449685.db2.gz CPSGHXNMBSAQQG-PWRODBHTSA-N 0 3 501.739 5.293 50 0 KKAAHN OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(-c3ccc(Cl)cn3)cc2)CC1 ZINC000137007683 571449982 /nfs/dbraw/zinc/44/99/82/571449982.db2.gz PEXKQIRWOQILJN-UHFFFAOYSA-N 0 3 605.022 8.588 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000137592118 571450484 /nfs/dbraw/zinc/45/04/84/571450484.db2.gz JMXJJWRHEJZENI-JIMJEQGWSA-N 0 3 506.986 5.579 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000137592118 571450485 /nfs/dbraw/zinc/45/04/85/571450485.db2.gz JMXJJWRHEJZENI-JIMJEQGWSA-N 0 3 506.986 5.579 50 0 KKAAHN CCCC[C@H]1Oc2ccccc2[C@@H]1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000150339760 571457644 /nfs/dbraw/zinc/45/76/44/571457644.db2.gz YOBBAFJNSYRSGE-PKTZIBPZSA-N 0 3 647.335 6.534 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389134 571471555 /nfs/dbraw/zinc/47/15/55/571471555.db2.gz OTWKJWLEJMLOOS-LFIBNONCSA-N 0 3 642.114 9.299 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(OC)c(OC)c4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389225 571471661 /nfs/dbraw/zinc/47/16/61/571471661.db2.gz ZEJVLLONXANWDZ-CPNJWEJPSA-N 0 3 695.775 9.307 50 0 KKAAHN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)[C@H](C)N(c4ccccc4)C3=O)c2)c(C(C)(C)CC)c1 ZINC000150483855 571514597 /nfs/dbraw/zinc/51/45/97/571514597.db2.gz GXNLGABIANNWMM-HGGZLQRRSA-N 0 3 759.388 9.293 50 0 KKAAHN CN(C)CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N1CC2=C(C1=O)[C@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2C ZINC000150522463 571520136 /nfs/dbraw/zinc/52/01/36/571520136.db2.gz TZBJSKJBOIGZBE-JUKUECOXSA-N 0 3 643.788 5.473 50 0 KKAAHN O[C@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@@H](O)C[C@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000150631402 571524116 /nfs/dbraw/zinc/52/41/16/571524116.db2.gz NFKZAYGAZSLISU-ISVMRZDUSA-N 0 3 767.400 8.019 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000150639356 571524608 /nfs/dbraw/zinc/52/46/08/571524608.db2.gz HKBHXZSLPKDQER-LPYNTBEWSA-N 0 3 688.879 8.203 50 0 KKAAHN O=C(Nc1ccc(F)cc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000169677728 571555266 /nfs/dbraw/zinc/55/52/66/571555266.db2.gz CHRHPKPBYVNEJL-GJZUVCINSA-N 0 3 515.526 5.528 50 0 KKAAHN COc1ccc([C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000169679786 571556526 /nfs/dbraw/zinc/55/65/26/571556526.db2.gz NNXCOQQFPCDIQP-YWEHKCAJSA-N 0 3 514.563 6.117 50 0 KKAAHN O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000169679951 571556738 /nfs/dbraw/zinc/55/67/38/571556738.db2.gz CXPHXTMJGUBBCI-NSJVFKKDSA-N 0 3 522.645 5.915 50 0 KKAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680889 571557193 /nfs/dbraw/zinc/55/71/93/571557193.db2.gz QXXSAVXKVKGEHG-DLLPINGYSA-N 0 3 579.832 5.613 50 0 KKAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680919 571557549 /nfs/dbraw/zinc/55/75/49/571557549.db2.gz GYRPANCBDYEPOZ-BNHRFMORSA-N 0 3 537.729 5.920 50 0 KKAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680918 571557588 /nfs/dbraw/zinc/55/75/88/571557588.db2.gz GYRPANCBDYEPOZ-NRUKRWIHSA-N 0 3 537.729 5.920 50 0 KKAAHN CCCN1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000198701269 571568546 /nfs/dbraw/zinc/56/85/46/571568546.db2.gz QAKUABRXDRDPFA-NRFANRHFSA-N 0 3 598.177 6.720 50 0 KKAAHN Fc1ccc(Cn2nc(CNCCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492633 572110877 /nfs/dbraw/zinc/11/08/77/572110877.db2.gz WACLLXCFSTWRCK-UHFFFAOYSA-N 0 3 535.052 5.034 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226815604 572141897 /nfs/dbraw/zinc/14/18/97/572141897.db2.gz HURXEWHQARGWKH-OJDZSJEKSA-N 0 3 536.628 6.469 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226873350 572144484 /nfs/dbraw/zinc/14/44/84/572144484.db2.gz DKJWBJSUKOFCSM-OYUWMTPXSA-N 0 3 521.013 5.969 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226873350 572144486 /nfs/dbraw/zinc/14/44/86/572144486.db2.gz DKJWBJSUKOFCSM-OYUWMTPXSA-N 0 3 521.013 5.969 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1Br ZINC000226897309 572145217 /nfs/dbraw/zinc/14/52/17/572145217.db2.gz HLOTYTHFZXMWAA-JIMJEQGWSA-N 0 3 529.390 5.662 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000226929626 572145250 /nfs/dbraw/zinc/14/52/50/572145250.db2.gz XFSUGYGOOWZZBR-JLMYGFKKSA-N 0 3 508.624 5.666 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000227021065 572147391 /nfs/dbraw/zinc/14/73/91/572147391.db2.gz SHTPDBKUWALGMG-OYUWMTPXSA-N 0 3 565.464 6.078 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000227031169 572148212 /nfs/dbraw/zinc/14/82/12/572148212.db2.gz SGRUXFBROPZOQY-OYUWMTPXSA-N 0 3 616.411 5.562 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000227065701 572148371 /nfs/dbraw/zinc/14/83/71/572148371.db2.gz IZYUSRPEZVHJJA-YTCPBCGMSA-N 0 3 555.417 7.458 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000227065701 572148375 /nfs/dbraw/zinc/14/83/75/572148375.db2.gz IZYUSRPEZVHJJA-YTCPBCGMSA-N 0 3 555.417 7.458 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227081938 572149720 /nfs/dbraw/zinc/14/97/20/572149720.db2.gz TWMUDXNVQVFUQP-ZGIBFIJWSA-N 0 3 552.558 5.413 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227086709 572150455 /nfs/dbraw/zinc/15/04/55/572150455.db2.gz YEVTYJNCKNYRIU-VGBJTSDXSA-N 0 3 597.092 6.275 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227238537 572152160 /nfs/dbraw/zinc/15/21/60/572152160.db2.gz TXPDZRGFCPSHFU-UUQNIDNHSA-N 0 3 562.647 5.621 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227241369 572152221 /nfs/dbraw/zinc/15/22/21/572152221.db2.gz MUNOBNJSMWTBIM-IRYJCKHSSA-N 0 3 564.682 5.991 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000227293160 572153328 /nfs/dbraw/zinc/15/33/28/572153328.db2.gz JLVPVMTYDNZYLF-GMQQYTKMSA-N 0 3 605.466 5.268 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000227301709 572153554 /nfs/dbraw/zinc/15/35/54/572153554.db2.gz NGGKXOFXRQGIRE-CILKRHGOSA-N 0 3 546.648 6.003 50 0 KKAAHN CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@@H]3c4cc(OC)c(OC)cc4CCN3C[C@@H]2CC)cc1 ZINC000229865870 572162221 /nfs/dbraw/zinc/16/22/21/572162221.db2.gz KQLDASGMVSYSES-RLOMXOEUSA-N 0 3 628.810 6.895 50 0 biogenic KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000229900312 572167433 /nfs/dbraw/zinc/16/74/33/572167433.db2.gz XQCRCPJDQNIMTH-OYUWMTPXSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229924700 572170499 /nfs/dbraw/zinc/17/04/99/572170499.db2.gz TXPDZRGFCPSHFU-UHLQNUQBSA-N 0 3 562.647 5.621 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229927785 572170802 /nfs/dbraw/zinc/17/08/02/572170802.db2.gz KNTBAPSEJMDMLH-OYUWMTPXSA-N 0 3 561.015 5.159 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccccc4)[C@@H]3C1=O)CCCC2 ZINC000229969196 572175434 /nfs/dbraw/zinc/17/54/34/572175434.db2.gz QFYQOZHFIRBPAQ-ISJGIBHGSA-N 0 3 516.619 5.163 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000230029102 572180265 /nfs/dbraw/zinc/18/02/65/572180265.db2.gz XAOMMBHBNKOFIG-PWRODBHTSA-N 0 3 517.301 5.519 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000230033526 572180545 /nfs/dbraw/zinc/18/05/45/572180545.db2.gz CWSHZTDTVXGPNQ-PWRODBHTSA-N 0 3 536.184 5.946 50 0 KKAAHN O=C1C2ON(c3cccc(Br)c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000230055010 572181748 /nfs/dbraw/zinc/18/17/48/572181748.db2.gz JBGPXVAJRGZCSL-PWRODBHTSA-N 0 3 562.645 5.916 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000230189591 572185141 /nfs/dbraw/zinc/18/51/41/572185141.db2.gz GKAZYFQOEUZNOQ-YUAOJYLXSA-N 0 3 528.608 6.143 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000238923908 572189009 /nfs/dbraw/zinc/18/90/09/572189009.db2.gz QFYQOZHFIRBPAQ-UBFVSLLYSA-N 0 3 516.619 5.163 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000238899640 572189046 /nfs/dbraw/zinc/18/90/46/572189046.db2.gz GXCHQBXNZCNSIZ-UBFVSLLYSA-N 0 3 516.619 5.081 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245240492 572214276 /nfs/dbraw/zinc/21/42/76/572214276.db2.gz XFSUGYGOOWZZBR-ANARSLNQSA-N 0 3 508.624 5.666 50 0 KKAAHN Cc1ccc(N2C(=O)[C@@]3(C)C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1Cl ZINC000245240745 572214292 /nfs/dbraw/zinc/21/42/92/572214292.db2.gz SGTAIIVFUJOSCB-OTNCWRBYSA-N 0 3 511.803 5.852 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@]3(C)C2=O)cc1Cl ZINC000245240745 572214295 /nfs/dbraw/zinc/21/42/95/572214295.db2.gz SGTAIIVFUJOSCB-OTNCWRBYSA-N 0 3 511.803 5.852 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000245245224 572217453 /nfs/dbraw/zinc/21/74/53/572217453.db2.gz CEPACTMFKHAIAN-RAESKKBESA-N 0 3 555.634 5.645 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000245246100 572218732 /nfs/dbraw/zinc/21/87/32/572218732.db2.gz IEVKQGODKUBHKW-NSRVOULTSA-N 0 3 664.780 6.956 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000245246101 572218834 /nfs/dbraw/zinc/21/88/34/572218834.db2.gz IEVKQGODKUBHKW-RYNQABCDSA-N 0 3 664.780 6.956 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245281325 572225327 /nfs/dbraw/zinc/22/53/27/572225327.db2.gz XFOAKDYXTUUMFD-KCWPFWIISA-N 0 3 515.595 6.197 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000245309038 572227168 /nfs/dbraw/zinc/22/71/68/572227168.db2.gz ABSHEGAFHJLYPM-WXFUMESZSA-N 0 3 507.384 5.071 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCCC)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000245309324 572227197 /nfs/dbraw/zinc/22/71/97/572227197.db2.gz BUFVHZOLWAUEGK-MPFGFTFXSA-N 0 3 530.621 5.714 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310113 572228237 /nfs/dbraw/zinc/22/82/37/572228237.db2.gz HWNDGFQPGNFMEN-OAJQQGRKSA-N 0 3 531.637 5.698 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245312603 572229730 /nfs/dbraw/zinc/22/97/30/572229730.db2.gz WFPBKOUFZWTAQN-YUAOJYLXSA-N 0 3 528.583 6.072 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245312634 572230096 /nfs/dbraw/zinc/23/00/96/572230096.db2.gz WRHSBJXEQMDBBO-ACIRYHQQSA-N 0 3 525.048 6.319 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245312632 572230390 /nfs/dbraw/zinc/23/03/90/572230390.db2.gz WQAQLDOMJVZVAW-OAJQQGRKSA-N 0 3 516.622 5.913 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(F)cc5)o4)[C@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000245329033 572235161 /nfs/dbraw/zinc/23/51/61/572235161.db2.gz XADVKYJPWGMYDS-PLMLIJPGSA-N 0 3 628.722 7.136 50 0 KKAAHN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4C[C@H](C)N(Cc5ccccc5)[C@@H](C)C4)C3)nc3ccccc32)cc1 ZINC000247878543 572247892 /nfs/dbraw/zinc/24/78/92/572247892.db2.gz IESVWSXTVWCJGT-VWYPKUQYSA-N 0 3 565.762 5.427 50 0 KKAAHN CC[C@H](C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248077875 572253244 /nfs/dbraw/zinc/25/32/44/572253244.db2.gz IYXQGTVXRXKXOE-SUYBVONHSA-N 0 3 529.750 5.649 50 0 KKAAHN CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248089908 572253458 /nfs/dbraw/zinc/25/34/58/572253458.db2.gz MIOIMFUAKFSCJR-PWUYWRBVSA-N 0 3 509.760 5.671 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248114884 572253955 /nfs/dbraw/zinc/25/39/55/572253955.db2.gz UMDXQFSJIDKGJV-FIBWVYCGSA-N 0 3 501.114 7.339 50 0 KKAAHN CCn1c(CN2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000249692761 572258746 /nfs/dbraw/zinc/25/87/46/572258746.db2.gz MZKBTWWZHPSQAJ-MUUNZHRXSA-N 0 3 521.709 5.202 50 0 KKAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000252478387 572261451 /nfs/dbraw/zinc/26/14/51/572261451.db2.gz AKYGIRKSPOKRIT-HHHXNRCGSA-N 0 3 586.699 5.783 50 0 KKAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252585321 572264504 /nfs/dbraw/zinc/26/45/04/572264504.db2.gz HSEDMGOCZZYPGG-WIZOYOABSA-N 0 3 708.731 5.231 50 0 KKAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252587102 572265927 /nfs/dbraw/zinc/26/59/27/572265927.db2.gz VPZSVEGKGKSXKT-NARDRGJYSA-N 0 3 604.836 5.105 50 0 KKAAHN Clc1ccc(CCNCc2nn(Cc3c(Cl)cccc3Cl)nc2-c2ccccc2)c(Cl)c1 ZINC000253490348 572291555 /nfs/dbraw/zinc/29/15/55/572291555.db2.gz IICALGMYGBKSJM-UHFFFAOYSA-N 0 3 506.264 6.939 50 0 KKAAHN C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)C[C@@H](C)N1Cc1ccccc1 ZINC000253604369 572300812 /nfs/dbraw/zinc/30/08/12/572300812.db2.gz UENGATVDXBEDDZ-WWPJHQMMSA-N 0 3 570.181 6.071 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cc2csc(-c3ccccc3)n2)c1)Cc1cccc2cccnc21 ZINC000101854412 1069820930 /nfs/dbraw/zinc/82/09/30/1069820930.db2.gz YSQGDNOYWWXAIU-YTTGMZPUSA-N 0 3 590.793 7.383 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)c1)Cc1cccc2cccnc21 ZINC000102698834 1069863012 /nfs/dbraw/zinc/86/30/12/1069863012.db2.gz GQRNUYPINCYTPY-NDEPHWFRSA-N 0 3 537.660 6.059 50 0 KKAAHN C[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)Oc1cccc(CN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000011815203 1071232109 /nfs/dbraw/zinc/23/21/09/1071232109.db2.gz HJGWNCKSBZGGQQ-HSZRJFAPSA-N 0 3 527.640 5.439 50 0 KKAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000011871892 1071232843 /nfs/dbraw/zinc/23/28/43/1071232843.db2.gz KUXGIANHOJWGKQ-UHFFFAOYSA-N 0 3 512.572 5.323 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012246357 1071240213 /nfs/dbraw/zinc/24/02/13/1071240213.db2.gz JVKNKOPNXQFBIQ-DEOSSOPVSA-N 0 3 525.678 5.507 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(I)cc1 ZINC000001273606 551635330 /nfs/dbraw/zinc/63/53/30/551635330.db2.gz QCWDHMZAYZRCDK-PCCBWWKXSA-N 0 3 575.200 5.105 50 0 KKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000001322861 551642135 /nfs/dbraw/zinc/64/21/35/551642135.db2.gz YPKMITBMJOBYFE-LJAQVGFWSA-N 0 3 514.622 5.812 50 0 biogenic KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001796454 551702887 /nfs/dbraw/zinc/70/28/87/551702887.db2.gz NUCJNZUNKZCLDI-OCBJUFRSSA-N 0 3 555.030 6.369 50 0 KKAAHN Cc1ccc(N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001834451 551712042 /nfs/dbraw/zinc/71/20/42/551712042.db2.gz IKCFXCYNCXZCAW-LJAQVGFWSA-N 0 3 500.664 5.254 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000002253333 551801973 /nfs/dbraw/zinc/80/19/73/551801973.db2.gz GWPAFWXSQKUICE-NJDAHSKKSA-N 0 3 528.200 5.263 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000002416484 552114786 /nfs/dbraw/zinc/11/47/86/552114786.db2.gz AXWGVJBZYGTVMO-NHKHRBQYSA-N 0 3 534.568 5.274 50 0 KKAAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002780969 552188513 /nfs/dbraw/zinc/18/85/13/552188513.db2.gz QVSHBUCERKKPFZ-UHFFFAOYSA-N 0 3 523.519 5.096 50 0 KKAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000002964720 552235864 /nfs/dbraw/zinc/23/58/64/552235864.db2.gz XXKQWUATMVKOED-UHFFFAOYSA-N 0 3 586.132 6.969 50 0 KKAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccc(F)cc1 ZINC000002968334 552240190 /nfs/dbraw/zinc/24/01/90/552240190.db2.gz YVJSZMRJCHKJEW-QFIPXVFZSA-N 0 3 506.990 5.078 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968473 552240811 /nfs/dbraw/zinc/24/08/11/552240811.db2.gz WJMQQOWZNRZGEA-LOSJGSFVSA-N 0 3 590.105 5.164 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3ccc(C)cc3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034076 552268538 /nfs/dbraw/zinc/26/85/38/552268538.db2.gz NTWBSGORNBWFLM-UHFFFAOYSA-N 0 3 526.753 5.929 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3ccccc3Cl)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034064 552268609 /nfs/dbraw/zinc/26/86/09/552268609.db2.gz ILCDHQIFXCGMHL-UHFFFAOYSA-N 0 3 517.145 6.266 50 0 KKAAHN CC(C)N(CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2)Cc1ccccc1 ZINC000003054466 552279743 /nfs/dbraw/zinc/27/97/43/552279743.db2.gz OGXVQDSPARGRFT-UHFFFAOYSA-N 0 3 553.703 6.778 50 0 KKAAHN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN(C)Cc4ccccc4)cc3)C2=O)c1 ZINC000003061349 552282414 /nfs/dbraw/zinc/28/24/14/552282414.db2.gz CEJMZHJXPACUJO-WEMUVCOSSA-N 0 3 547.724 6.537 50 0 KKAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062652 552283623 /nfs/dbraw/zinc/28/36/23/552283623.db2.gz SEDBWQZCSWCKCN-BRPDVVIDSA-N 0 3 529.681 6.112 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@]3(O)c4ccccc4NC(=O)N3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000003670399 552411221 /nfs/dbraw/zinc/41/12/21/552411221.db2.gz UFHSVHIHZKHPNC-LJAQVGFWSA-N 0 3 553.490 5.527 50 0 KKAAHN CCOC1=NN(c2ccc(NC(=O)COc3ccc(C(C)(C)CC)cc3C(C)(C)CC)cc2)C(=O)C1Sc1nnnn1-c1ccccc1 ZINC000004014826 552426284 /nfs/dbraw/zinc/42/62/84/552426284.db2.gz LHJWGDNBXPSCKP-HKBQPEDESA-N 0 3 669.852 6.913 50 0 KKAAHN O=C(CCCCCNC(=O)OCc1ccccc1)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014906 552426424 /nfs/dbraw/zinc/42/64/24/552426424.db2.gz ODUMKZCGLZKICP-UHFFFAOYSA-N 0 3 665.834 8.684 50 0 KKAAHN Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166775 552556597 /nfs/dbraw/zinc/55/65/97/552556597.db2.gz ZYMCXRGCGGJREW-UHFFFAOYSA-N 0 3 623.712 9.171 50 0 KKAAHN CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166903 552557760 /nfs/dbraw/zinc/55/77/60/552557760.db2.gz MGGCARCGEYGRBY-UHFFFAOYSA-N 0 3 639.711 8.953 50 0 KKAAHN O[C@H](CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000006446150 552588638 /nfs/dbraw/zinc/58/86/38/552588638.db2.gz HYMGRBVJUAZEGL-RUZDIDTESA-N 0 3 578.348 7.383 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@H](CC[C@H](CN(C)C)C(=O)c2ccc(OCCCC)cc2)CN(C)C)cc1 ZINC000006480901 552593763 /nfs/dbraw/zinc/59/37/63/552593763.db2.gz FPDLWBOUWZTYBH-VSGBNLITSA-N 0 3 524.746 6.246 50 0 KKAAHN Clc1ccc2c(c1)nccc2N1CCN(CCCCN2CCN(c3ccnc4cc(Cl)ccc43)CC2)CC1 ZINC000008400972 553005806 /nfs/dbraw/zinc/00/58/06/553005806.db2.gz OETZEDXYTJPLEL-UHFFFAOYSA-N 0 3 549.550 5.814 50 0 KKAAHN CC(C)(C)C1CCC(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000008431527 553023400 /nfs/dbraw/zinc/02/34/00/553023400.db2.gz JTVOVRLUTXDTFK-OADZCNSWSA-N 0 3 506.687 5.130 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cnn(-c4ccccc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008597255 553092477 /nfs/dbraw/zinc/09/24/77/553092477.db2.gz AIBDDAPEEITJBZ-UHFFFAOYSA-N 0 3 571.766 5.937 50 0 KKAAHN CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN(C)C(C)C)cc1OCC ZINC000008817900 553153093 /nfs/dbraw/zinc/15/30/93/553153093.db2.gz YLHJZWGLPWCDJK-VWLOTQADSA-N 0 3 512.691 5.290 50 0 biogenic KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009015893 553200599 /nfs/dbraw/zinc/20/05/99/553200599.db2.gz XFSUGYGOOWZZBR-APSVEGKFSA-N 0 3 508.624 5.666 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009111382 553210316 /nfs/dbraw/zinc/21/03/16/553210316.db2.gz JACJOPKJWBWRCX-MFUXGYHDSA-N 0 3 502.595 5.604 50 0 KKAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432875 553262983 /nfs/dbraw/zinc/26/29/83/553262983.db2.gz RJZOUPMTYJYFRL-WUFINQPMSA-N 0 3 535.710 5.219 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009433321 553263140 /nfs/dbraw/zinc/26/31/40/553263140.db2.gz NQXXNRNWPQCWOE-URLMMPGGSA-N 0 3 533.738 6.229 50 0 KKAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433694 553263311 /nfs/dbraw/zinc/26/33/11/553263311.db2.gz HPUUZLKCBMJUKJ-FQLXRVMXSA-N 0 3 531.722 6.125 50 0 KKAAHN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000009451577 553266000 /nfs/dbraw/zinc/26/60/00/553266000.db2.gz OAWGCQZOHDLOLJ-JOCHJYFZSA-N 0 3 510.941 5.826 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678436 553295600 /nfs/dbraw/zinc/29/56/00/553295600.db2.gz CFHYUWWCZCVLLA-IBGZPJMESA-N 0 3 524.061 6.005 50 0 KKAAHN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCN(Cc2ccccc2)C(C)C)CC1 ZINC000009731842 553302704 /nfs/dbraw/zinc/30/27/04/553302704.db2.gz FMHXOCXMXICYSD-UHFFFAOYSA-N 0 3 509.094 5.542 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3nc3c2CCCC3)cc1OC ZINC000009777089 553306501 /nfs/dbraw/zinc/30/65/01/553306501.db2.gz VIWANJYOAUPSOY-UHFFFAOYSA-N 0 3 509.650 7.424 50 0 KKAAHN CN(Cc1ccc(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000011913428 553349131 /nfs/dbraw/zinc/34/91/31/553349131.db2.gz FSDDWSLLRYXCFK-UHFFFAOYSA-N 0 3 500.042 6.204 50 0 KKAAHN Cn1c(SC[C@H]2CCCO2)nnc1C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000012037778 553350373 /nfs/dbraw/zinc/35/03/73/553350373.db2.gz GTARKFYAOJRJNH-AREMUKBSSA-N 0 3 514.699 5.319 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2c(ccc(C)c2C)s1 ZINC000012140894 553352283 /nfs/dbraw/zinc/35/22/83/553352283.db2.gz ZQEMSRDJGXZERK-UHFFFAOYSA-N 0 3 528.744 5.076 50 0 KKAAHN CCN(CC)CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1COc1ccc(OC)cc1 ZINC000012411636 553363545 /nfs/dbraw/zinc/36/35/45/553363545.db2.gz USENOHVSMAKKQK-UHFFFAOYSA-N 0 3 519.436 5.036 50 0 KKAAHN COc1cccc(CCNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@@H](C)C2)c1 ZINC000012513591 553382598 /nfs/dbraw/zinc/38/25/98/553382598.db2.gz UQQCYVSBACLNDG-JOCHJYFZSA-N 0 3 516.638 5.061 50 0 KKAAHN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012661316 553412134 /nfs/dbraw/zinc/41/21/34/553412134.db2.gz UVVRCAOQNORAME-TWVPUFJYSA-N 0 3 525.862 8.816 50 0 biogenic KKAAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000013640446 553479061 /nfs/dbraw/zinc/47/90/61/553479061.db2.gz NVHGFKUAVMHEGS-UHFFFAOYSA-N 0 3 516.495 5.503 50 0 KKAAHN O=c1c(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc2cc3c(cc2n1CCN1CCCCC1)OCO3 ZINC000014882492 553521006 /nfs/dbraw/zinc/52/10/06/553521006.db2.gz AOXMIEVHXXMWRO-PMERELPUSA-N 0 3 530.068 5.749 50 0 KKAAHN O=c1c(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc2cc3c(cc2n1CCN1CCCCC1)OCO3 ZINC000014882493 553521052 /nfs/dbraw/zinc/52/10/52/553521052.db2.gz AOXMIEVHXXMWRO-SSEXGKCCSA-N 0 3 530.068 5.749 50 0 KKAAHN Cc1cc(C)n(CC(=O)N2CCC[C@@H](COc3ccc(CN(C)Cc4cccc5ccccc54)cc3)C2)n1 ZINC000014995847 553524396 /nfs/dbraw/zinc/52/43/96/553524396.db2.gz XUBHJZLRKMJSAM-HHHXNRCGSA-N 0 3 510.682 5.603 50 0 KKAAHN COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@H](C)C2)cc1 ZINC000015002373 553525014 /nfs/dbraw/zinc/52/50/14/553525014.db2.gz RJHAMKMYIAXCGZ-NRFANRHFSA-N 0 3 502.611 5.018 50 0 KKAAHN O=C(CNCCc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCCC2 ZINC000015946567 553544642 /nfs/dbraw/zinc/54/46/42/553544642.db2.gz XRMGCZWXAOOJQG-UHFFFAOYSA-N 0 3 526.500 5.803 50 0 KKAAHN C[C@H](NCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccccc1 ZINC000015946935 553544925 /nfs/dbraw/zinc/54/49/25/553544925.db2.gz VLWKWROORICRID-INIZCTEOSA-N 0 3 512.473 5.931 50 0 KKAAHN Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)c1 ZINC000016291043 553558794 /nfs/dbraw/zinc/55/87/94/553558794.db2.gz HOERIORFZJNUCV-UHFFFAOYSA-N 0 3 525.674 5.915 50 0 KKAAHN Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)c1 ZINC000016291043 553558795 /nfs/dbraw/zinc/55/87/95/553558795.db2.gz HOERIORFZJNUCV-UHFFFAOYSA-N 0 3 525.674 5.915 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000018098367 553604143 /nfs/dbraw/zinc/60/41/43/553604143.db2.gz QJXDTMLOXINXMS-QHAWAJNXSA-N 0 3 501.739 5.293 50 0 KKAAHN COc1cc([C@H]2CN3C(=O)CN(C4CCN(Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070699477 553616252 /nfs/dbraw/zinc/61/62/52/553616252.db2.gz OULZYOPFULMYCC-IIZRLQMASA-N 0 3 606.767 5.660 50 0 biogenic KKAAHN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CNCCN(CC)CC ZINC000019818459 553619000 /nfs/dbraw/zinc/61/90/00/553619000.db2.gz ZEMGBJSGAKGUTD-UHFFFAOYSA-N 0 3 502.453 5.010 50 0 KKAAHN C[C@H](CCC(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000072325755 553648524 /nfs/dbraw/zinc/64/85/24/553648524.db2.gz AEIRAFOINCJNLV-FIRXMKNFSA-N 0 3 564.855 6.174 50 0 biogenic KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4 ZINC000073331412 553653217 /nfs/dbraw/zinc/65/32/17/553653217.db2.gz HGNHIFJNOKGSKI-FQLXRVMXSA-N 0 3 608.735 6.859 50 0 endogenous,in-man KKAAHN CN(CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020727878 553690972 /nfs/dbraw/zinc/69/09/72/553690972.db2.gz SGZQELSKEWPZRW-UQQQWYQISA-N 0 3 525.596 5.433 50 0 KKAAHN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000020735325 553693305 /nfs/dbraw/zinc/69/33/05/553693305.db2.gz YTRMNNRPUFGYGT-YBMXKYEKSA-N 0 3 525.718 6.279 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735287 553693333 /nfs/dbraw/zinc/69/33/33/553693333.db2.gz UTDVJYZONKWYOK-DYIFSOBNSA-N 0 3 511.691 5.889 50 0 KKAAHN Clc1ccc(-c2nc3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c(Cl)c1 ZINC000020828519 553698865 /nfs/dbraw/zinc/69/88/65/553698865.db2.gz JQHSWFYEXXLYPB-UHFFFAOYSA-N 0 3 525.483 7.515 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162328 553708717 /nfs/dbraw/zinc/70/87/17/553708717.db2.gz RNIJHDXCXBZOOL-UHFFFAOYSA-N 0 3 525.672 5.221 50 0 KKAAHN COc1ccc(C(=O)[C@H](CCCC[C@@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000095740217 553711617 /nfs/dbraw/zinc/71/16/17/553711617.db2.gz WZVXOSLRDCQYGW-RNPORBBMSA-N 0 3 548.768 6.534 50 0 KKAAHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000096269677 553731586 /nfs/dbraw/zinc/73/15/86/553731586.db2.gz IDKAKZRYYDCJDU-AEPXTFJPSA-N 0 3 562.513 5.303 50 0 in-vitro KKAAHN CCOc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276564 553733272 /nfs/dbraw/zinc/73/32/72/553733272.db2.gz QNWGALJUVVOTPB-LJAQVGFWSA-N 0 3 513.657 5.961 50 0 KKAAHN O[C@H](COc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000097944141 553768790 /nfs/dbraw/zinc/76/87/90/553768790.db2.gz HOBJQNDPHXNUGP-UWXQCODUSA-N 0 3 616.802 6.571 50 0 KKAAHN CCCC[C@H](CC)C(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023424776 553775120 /nfs/dbraw/zinc/77/51/20/553775120.db2.gz LZFUNZMSPUQRBQ-NRFANRHFSA-N 0 3 514.636 6.706 50 0 KKAAHN Cc1ccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1C ZINC000097949328 553801419 /nfs/dbraw/zinc/80/14/19/553801419.db2.gz MFDIHAAJGFORRC-UHFFFAOYSA-N 0 3 558.564 7.008 50 0 KKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000025578159 553811157 /nfs/dbraw/zinc/81/11/57/553811157.db2.gz MCBGWELZRDYLET-OAQYLSRUSA-N 0 3 509.275 6.502 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000097954833 553825746 /nfs/dbraw/zinc/82/57/46/553825746.db2.gz LCFKPPVJFFJQLC-UBFVSLLYSA-N 0 3 539.802 6.958 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1Br ZINC000097955268 553830759 /nfs/dbraw/zinc/83/07/59/553830759.db2.gz HLOTYTHFZXMWAA-NXCFDTQHSA-N 0 3 529.390 5.662 50 0 KKAAHN COc1ccc(OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)C4c2ccco2)cc1 ZINC000097956585 553839758 /nfs/dbraw/zinc/83/97/58/553839758.db2.gz IMLYFHOYUMDPTL-DEOSSOPVSA-N 0 3 540.967 5.738 50 0 KKAAHN CCN1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccc(C)cc4)C(=O)N(c4ccc(C)cc4)C3=O)[C@@H]2C1 ZINC000097956717 553841076 /nfs/dbraw/zinc/84/10/76/553841076.db2.gz HHIDFPDEMOFTKO-MHZLTWQESA-N 0 3 543.067 5.210 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956780 553841978 /nfs/dbraw/zinc/84/19/78/553841978.db2.gz QUEXHOQOACIPAS-QGZVFWFLSA-N 0 3 525.310 6.019 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(O)c(c3CCN1C)Oc1cc3c(cc1OC)CCN(C)[C@H]3C2 ZINC000030726958 553855416 /nfs/dbraw/zinc/85/54/16/553855416.db2.gz CASHVZNATRNXDE-KYJUHHDHSA-N 0 3 608.735 6.859 50 0 biogenic,in-vitro KKAAHN O=C(NCc1cccnc1)[C@@H]1C[C@H](NCc2cccc(Oc3ccccc3)c2)CN1Cc1ccc(Cl)cc1 ZINC000032517989 553869363 /nfs/dbraw/zinc/86/93/63/553869363.db2.gz JDIQRBWZILNLNJ-FIBWVYCGSA-N 0 3 527.068 5.576 50 0 KKAAHN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)NC3(C)C)cc1 ZINC000097963579 553892061 /nfs/dbraw/zinc/89/20/61/553892061.db2.gz ARUGWCUKQORXNG-UHFFFAOYSA-N 0 3 563.786 5.537 50 0 KKAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCc4ccccc43)cc1)C(C)(C)NC(C)(C)C2 ZINC000097963589 553892183 /nfs/dbraw/zinc/89/21/83/553892183.db2.gz INLCMQOALYKWSC-UHFFFAOYSA-N 0 3 567.733 5.088 50 0 KKAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354942 553932162 /nfs/dbraw/zinc/93/21/62/553932162.db2.gz WDJNIEADSJLIEA-NWJSTBPLSA-N 0 3 548.053 5.923 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671664 553982498 /nfs/dbraw/zinc/98/24/98/553982498.db2.gz PQQHCQBBIKIGRA-JHOUSYSJSA-N 0 3 504.674 6.617 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671661 553982588 /nfs/dbraw/zinc/98/25/88/553982588.db2.gz PQQHCQBBIKIGRA-SAIUNTKASA-N 0 3 504.674 6.617 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](c2cccc(F)c2)[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000034698408 553991504 /nfs/dbraw/zinc/99/15/04/553991504.db2.gz VKQHZIOKWUMCDC-HOFKKMOUSA-N 0 3 511.563 5.523 50 0 KKAAHN COc1cc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)cc(OC)c1 ZINC000034698965 553992113 /nfs/dbraw/zinc/99/21/13/553992113.db2.gz ZXOFJOFVHPIAAQ-VAVYLYDRSA-N 0 3 504.646 5.857 50 0 KKAAHN Cc1cc(CN2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000034699164 553992296 /nfs/dbraw/zinc/99/22/96/553992296.db2.gz RUPCVIAPEOZQPW-KCWPFWIISA-N 0 3 516.579 6.821 50 0 KKAAHN COc1ccc([C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699360 553992640 /nfs/dbraw/zinc/99/26/40/553992640.db2.gz YIPQTEYEQKRBKX-RPLLCQBOSA-N 0 3 514.563 6.117 50 0 KKAAHN Cc1cc([C@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716819 553995703 /nfs/dbraw/zinc/99/57/03/553995703.db2.gz UXUMWYGVNIKARA-WUFINQPMSA-N 0 3 520.092 5.738 50 0 KKAAHN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000034725512 553996661 /nfs/dbraw/zinc/99/66/61/553996661.db2.gz WUTFNTTYOJPACD-UHFFFAOYSA-N 0 3 515.698 5.883 50 0 KKAAHN COc1ccccc1N1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000097984242 554015012 /nfs/dbraw/zinc/01/50/12/554015012.db2.gz NUXKPGCAKGEFRQ-FQEVSTJZSA-N 0 3 573.329 5.511 50 0 KKAAHN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)Cc1ccccc1C(F)(F)F ZINC000034835947 554020446 /nfs/dbraw/zinc/02/04/46/554020446.db2.gz JJFIYQFWHRTUSA-UHFFFAOYSA-N 0 3 503.588 5.503 50 0 KKAAHN O[C@@H](COc1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097997033 554039298 /nfs/dbraw/zinc/03/92/98/554039298.db2.gz FICDOSLWBCUQQL-ZRKBJOGQSA-N 0 3 726.962 5.980 50 0 KKAAHN CCN1Cc2c(C)sc(C)c2CN(CC)Cc2c(C)sc(C)c2CN(CC)Cc2c(C)sc(C)c2C1 ZINC000035325339 554043365 /nfs/dbraw/zinc/04/33/65/554043365.db2.gz ZKPDIBYAAAGJGA-UHFFFAOYSA-N 0 3 543.912 8.101 50 0 KKAAHN COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3n2)c1 ZINC000098005187 554057450 /nfs/dbraw/zinc/05/74/50/554057450.db2.gz TUGRPPHGAPDVLQ-UHFFFAOYSA-N 0 3 539.602 5.150 50 0 KKAAHN C[C@H](c1ccccc1)N1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035577090 554061437 /nfs/dbraw/zinc/06/14/37/554061437.db2.gz DQUUZYUBXGZDLW-LJQANCHMSA-N 0 3 511.580 5.226 50 0 KKAAHN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)CCC ZINC000035842626 554081315 /nfs/dbraw/zinc/08/13/15/554081315.db2.gz PHKMYNFGOVKARF-NDEPHWFRSA-N 0 3 505.747 6.300 50 0 KKAAHN COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@H]23)cc1 ZINC000035871460 554085750 /nfs/dbraw/zinc/08/57/50/554085750.db2.gz SNBZYKGSARCDRH-XNMGPUDCSA-N 0 3 509.572 5.258 50 0 KKAAHN CCc1cccc2c([C@@H](CC(=O)NC3CCN(Cc4ccccc4)CC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910545 554094550 /nfs/dbraw/zinc/09/45/50/554094550.db2.gz NXNCWZHJMBVSLA-MHZLTWQESA-N 0 3 501.621 6.311 50 0 KKAAHN COc1ccc(CN2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035927814 554101186 /nfs/dbraw/zinc/10/11/86/554101186.db2.gz RYWNVQPYUXSAGF-UHFFFAOYSA-N 0 3 518.665 5.436 50 0 KKAAHN CC(C)CN(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C1CCN(C)CC1)C(=O)c1ccccc1Cl ZINC000035945017 554102404 /nfs/dbraw/zinc/10/24/04/554102404.db2.gz TZHFLQLQDJFICK-UHFFFAOYSA-N 0 3 541.180 6.544 50 0 KKAAHN CCOC(=O)N1CCC(NC(=O)CCC(=O)Nc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 ZINC000098045572 554132442 /nfs/dbraw/zinc/13/24/42/554132442.db2.gz KHFJVHSBDMICQJ-UHFFFAOYSA-N 0 3 597.760 5.054 50 0 KKAAHN Cc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)c2cccs2)c1 ZINC000036052032 554157754 /nfs/dbraw/zinc/15/77/54/554157754.db2.gz AOAJXMNBXWOSMB-UHFFFAOYSA-N 0 3 522.074 5.205 50 0 KKAAHN CS(=O)(=O)c1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000100001476 554177477 /nfs/dbraw/zinc/17/74/77/554177477.db2.gz JRHZWLRGMWNZJF-UHFFFAOYSA-N 0 3 552.740 5.915 50 0 KKAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc(Br)ccc1Cl ZINC000100055267 554195933 /nfs/dbraw/zinc/19/59/33/554195933.db2.gz SYJZXFCYLJYFFI-UHFFFAOYSA-N 0 3 543.918 5.552 50 0 KKAAHN Cc1cccc(Oc2c(CN(C[C@@H](O)COCc3ccco3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306557 554215724 /nfs/dbraw/zinc/21/57/24/554215724.db2.gz LNHLEGSYSUIFOV-RUZDIDTESA-N 0 3 501.627 5.571 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1ccccc1F ZINC000036306858 554215953 /nfs/dbraw/zinc/21/59/53/554215953.db2.gz AHHOTCCTJRLSRD-XMMPIXPASA-N 0 3 501.602 5.670 50 0 KKAAHN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316107 554219671 /nfs/dbraw/zinc/21/96/71/554219671.db2.gz MDWHXRRIHVFINP-HSZRJFAPSA-N 0 3 501.618 5.649 50 0 KKAAHN Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(NCCN1CCCCC1)nc2-c1ccccc1F ZINC000037358316 554234755 /nfs/dbraw/zinc/23/47/55/554234755.db2.gz RRYOGERKOGUECM-UHFFFAOYSA-N 0 3 500.409 5.408 50 0 KKAAHN O=C(NCCN1CCCC1)c1cc2scc(Br)c2n1Cc1ccc(Br)cc1 ZINC000037587901 554252939 /nfs/dbraw/zinc/25/29/39/554252939.db2.gz CSQCOFRAZQXKIH-UHFFFAOYSA-N 0 3 511.283 5.102 50 0 KKAAHN COc1cc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000038139924 554261868 /nfs/dbraw/zinc/26/18/68/554261868.db2.gz NETWVFJUARMYDT-UHFFFAOYSA-N 0 3 550.659 5.803 50 0 biogenic KKAAHN CCOc1c(Br)cc([C@H]2NC[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356906 554344987 /nfs/dbraw/zinc/34/49/87/554344987.db2.gz CEYLFJGEHUEGAU-KBMIEXCESA-N 0 3 537.454 6.179 50 0 KKAAHN CC(C)N(CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)Cc1ccccc1 ZINC000053371782 554348139 /nfs/dbraw/zinc/34/81/39/554348139.db2.gz MTYXOPDWTUXEPC-RWYGWLOXSA-N 0 3 586.157 6.308 50 0 KKAAHN O=C(CCN1CCN(c2ccccc2)CC1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000100810792 554475211 /nfs/dbraw/zinc/47/52/11/554475211.db2.gz FUNRSXVVSCAMJQ-MHZLTWQESA-N 0 3 596.367 6.102 50 0 KKAAHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)cc1 ZINC000100819691 554479017 /nfs/dbraw/zinc/47/90/17/554479017.db2.gz BWZJUPKQRKIYKE-UHFFFAOYSA-N 0 3 549.759 5.147 50 0 KKAAHN CCCCOc1ccc([C@@](O)(CCCC)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515017 554509663 /nfs/dbraw/zinc/50/96/63/554509663.db2.gz KEVZOGUKXGKGJX-LQJZCPKCSA-N 0 3 518.717 6.988 50 0 KKAAHN COc1ccc([C@@H]2CC(=O)[C@@H]([C@H]3NCCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927461 554524637 /nfs/dbraw/zinc/52/46/37/554524637.db2.gz ZQUBRKJSKNTGGQ-VDVKDMFPSA-N 0 3 528.958 5.675 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000101109010 554640746 /nfs/dbraw/zinc/64/07/46/554640746.db2.gz CFJLSOMVIOXMQA-FCEKVYKBSA-N 0 3 538.531 5.105 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000101115974 554643162 /nfs/dbraw/zinc/64/31/62/554643162.db2.gz VFFRXJDXMHLXLI-WFPUBZAHSA-N 0 3 541.607 5.336 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101162791 554660293 /nfs/dbraw/zinc/66/02/93/554660293.db2.gz BHAUNPDRZCCCNU-UUROJUAVSA-N 0 3 531.439 6.254 50 0 KKAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2ccccc2F)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101179740 554666200 /nfs/dbraw/zinc/66/62/00/554666200.db2.gz HHHGQMKDPJLJQV-QODLHPCFSA-N 0 3 515.544 5.077 50 0 KKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101191537 554670789 /nfs/dbraw/zinc/67/07/89/554670789.db2.gz AZKFRKYWHBXYFA-SQRAXXTESA-N 0 3 545.466 6.582 50 0 KKAAHN O=C(c1ccc(Cl)cc1)[C@@H]1C(=C([O-])c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101195464 554672000 /nfs/dbraw/zinc/67/20/00/554672000.db2.gz GNKJRLMXOWXUNH-UUQNIDNHSA-N 0 3 549.001 6.335 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101195464 554672003 /nfs/dbraw/zinc/67/20/03/554672003.db2.gz GNKJRLMXOWXUNH-UUQNIDNHSA-N 0 3 549.001 6.335 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000101207983 554677341 /nfs/dbraw/zinc/67/73/41/554677341.db2.gz GFWSHDWZDDBACX-ANOKCIKSSA-N 0 3 517.610 5.389 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000101207929 554677378 /nfs/dbraw/zinc/67/73/78/554677378.db2.gz CKXIUWLCPFUSTG-ANOKCIKSSA-N 0 3 536.678 6.364 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000101210330 554679004 /nfs/dbraw/zinc/67/90/04/554679004.db2.gz WFPBKOUFZWTAQN-WFPUBZAHSA-N 0 3 528.583 6.072 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000101210330 554679005 /nfs/dbraw/zinc/67/90/05/554679005.db2.gz WFPBKOUFZWTAQN-WFPUBZAHSA-N 0 3 528.583 6.072 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CCN(CC)CC2)cc1 ZINC000101216664 554684237 /nfs/dbraw/zinc/68/42/37/554684237.db2.gz MPWSXRLDQCEBNO-SANMLTNESA-N 0 3 606.620 5.141 50 0 KKAAHN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(N3C(=O)NC4CC3(C)Oc3ccc(Cl)cc34)c2)CC1 ZINC000101269743 554700535 /nfs/dbraw/zinc/70/05/35/554700535.db2.gz NABFTFFNSGIDFJ-PWUYWRBVSA-N 0 3 551.474 6.034 50 0 KKAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000101341056 554735289 /nfs/dbraw/zinc/73/52/89/554735289.db2.gz QXXSAVXKVKGEHG-WBBHLRKXSA-N 0 3 579.832 5.613 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)c(OC)c1 ZINC000101386142 554751188 /nfs/dbraw/zinc/75/11/88/554751188.db2.gz HGXJHCTXYDJYPU-NJHZRGNWSA-N 0 3 572.750 5.717 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386241 554751744 /nfs/dbraw/zinc/75/17/44/554751744.db2.gz XVKPUBUOGCGNQE-NQVJXQQZSA-N 0 3 605.827 6.804 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506975 554791033 /nfs/dbraw/zinc/79/10/33/554791033.db2.gz NUNHNMDHKMTFLW-PPFNPFNJSA-N 0 3 557.694 6.356 50 0 KKAAHN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)c(C(C)(C)CC)c1 ZINC000101637934 554813907 /nfs/dbraw/zinc/81/39/07/554813907.db2.gz GYVLYJGDQFLLBG-GTQLOLIKSA-N 0 3 591.192 7.824 50 0 KKAAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1cccc2ccccc21 ZINC000101661317 554821764 /nfs/dbraw/zinc/82/17/64/554821764.db2.gz JTODGCJNGWDTBP-UHFFFAOYSA-N 0 3 542.605 6.957 50 0 KKAAHN Cc1ccc(C)c(CN2C[C@@H](Sc3nccc(C)n3)C[C@H]2C(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000101864107 554844845 /nfs/dbraw/zinc/84/48/45/554844845.db2.gz MRQLJCFBFBCLIS-CRNNKKFJSA-N 0 3 559.824 5.106 50 0 KKAAHN CN(C(=O)CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC000101864917 554844904 /nfs/dbraw/zinc/84/49/04/554844904.db2.gz PURKDPIBLHDKOM-SETSBSEESA-N 0 3 571.732 5.684 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000101979674 554863606 /nfs/dbraw/zinc/86/36/06/554863606.db2.gz JGNGLITYQVEAHL-JYJPFYCCSA-N 0 3 570.803 5.997 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000102050844 554871244 /nfs/dbraw/zinc/87/12/44/554871244.db2.gz WBFSLCYZEWWMLR-SSEXGKCCSA-N 0 3 573.778 6.165 50 0 KKAAHN CN(Cc1ccc(OC2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102088941 554877228 /nfs/dbraw/zinc/87/72/28/554877228.db2.gz QRONMDNVNOXLIB-PGUFJCEWSA-N 0 3 547.743 7.211 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098987 554880748 /nfs/dbraw/zinc/88/07/48/554880748.db2.gz BZAJHVYCKFSBJP-AHKZPQOWSA-N 0 3 538.610 6.448 50 0 KKAAHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102129595 554884390 /nfs/dbraw/zinc/88/43/90/554884390.db2.gz MYTYDDLZZYTHBV-UHFFFAOYSA-N 0 3 605.755 5.777 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000102130041 554884906 /nfs/dbraw/zinc/88/49/06/554884906.db2.gz FVFVITDRRCLTCL-UHFFFAOYSA-N 0 3 606.211 6.325 50 0 KKAAHN CC[C@H](C(=O)N1C[C@@H](CN2CCN(c3cccc(OC)c3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000102136070 554887763 /nfs/dbraw/zinc/88/77/63/554887763.db2.gz IPSDASVBSOCDAK-JZRGNDHQSA-N 0 3 565.680 6.272 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000102205594 554896299 /nfs/dbraw/zinc/89/62/99/554896299.db2.gz VQLQOWKGCDRDMX-UHFFFAOYSA-N 0 3 547.167 6.480 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCC2CCCCC2)CC1 ZINC000102477664 554937052 /nfs/dbraw/zinc/93/70/52/554937052.db2.gz DCVMXIWTODDQST-MFMCTBQISA-N 0 3 567.218 5.838 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102546403 554959368 /nfs/dbraw/zinc/95/93/68/554959368.db2.gz QBPQPBWTXZKNEU-FCEKVYKBSA-N 0 3 617.427 5.867 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102557654 554965665 /nfs/dbraw/zinc/96/56/65/554965665.db2.gz QRFDFRRFGPLMDF-IWWXRALLSA-N 0 3 570.601 6.119 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564056 554969497 /nfs/dbraw/zinc/96/94/97/554969497.db2.gz NJMUSOJLJZIDAC-VJGNERBWSA-N 0 3 559.405 6.264 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564056 554969500 /nfs/dbraw/zinc/96/95/00/554969500.db2.gz NJMUSOJLJZIDAC-VJGNERBWSA-N 0 3 559.405 6.264 50 0 KKAAHN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CN3CCCC3)c2)CC1 ZINC000102614342 554984032 /nfs/dbraw/zinc/98/40/32/554984032.db2.gz JGYIQDWUMOGBQM-CSKARUKUSA-N 0 3 570.662 5.067 50 0 KKAAHN O=C1c2cccc(N3CCN([C@@H]4CCc5ccccc5C4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000102673341 555002884 /nfs/dbraw/zinc/00/28/84/555002884.db2.gz AJSVTTMOBOHOFK-RUZDIDTESA-N 0 3 534.685 5.286 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102699545 555012420 /nfs/dbraw/zinc/01/24/20/555012420.db2.gz QJXDTMLOXINXMS-PWRODBHTSA-N 0 3 501.739 5.293 50 0 KKAAHN O=C(CCC(=O)NC1CCN(Cc2ccccc2)CC1)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000102742489 555032065 /nfs/dbraw/zinc/03/20/65/555032065.db2.gz FCXWHFABEBCODL-UHFFFAOYSA-N 0 3 551.068 5.069 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102743713 555034770 /nfs/dbraw/zinc/03/47/70/555034770.db2.gz WESRLCLWSYRRLZ-TWJOJJKGSA-N 0 3 506.986 5.579 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCCC)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000102743869 555035028 /nfs/dbraw/zinc/03/50/28/555035028.db2.gz BUFVHZOLWAUEGK-SSBOKUKZSA-N 0 3 530.621 5.714 50 0 KKAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102745411 555037193 /nfs/dbraw/zinc/03/71/93/555037193.db2.gz VGAMAJUYWVALNG-SSEXGKCCSA-N 0 3 558.748 5.729 50 0 KKAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@H]1c1ccccc1F ZINC000102745418 555037424 /nfs/dbraw/zinc/03/74/24/555037424.db2.gz DLOIDXSKXKXMNZ-NDEPHWFRSA-N 0 3 548.684 5.135 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102746574 555039108 /nfs/dbraw/zinc/03/91/08/555039108.db2.gz NVILDXNSTJZWOP-ZONZVBGPSA-N 0 3 508.505 5.096 50 0 KKAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746807 555039598 /nfs/dbraw/zinc/03/95/98/555039598.db2.gz FKMWAADKCPNCJD-GDLZYMKVSA-N 0 3 560.720 5.006 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4OC)C(=O)N32)cc1 ZINC000102746938 555040157 /nfs/dbraw/zinc/04/01/57/555040157.db2.gz QTADCTXZAXBEOR-VPUSJEBWSA-N 0 3 583.714 5.073 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102747756 555041456 /nfs/dbraw/zinc/04/14/56/555041456.db2.gz VTVNOTGYZLGYBT-FRXPANAUSA-N 0 3 504.586 5.934 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102749361 555043663 /nfs/dbraw/zinc/04/36/63/555043663.db2.gz UUZJMAIIODEPQS-JCYYIGJDSA-N 0 3 538.531 5.105 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102754278 555046094 /nfs/dbraw/zinc/04/60/94/555046094.db2.gz HSHCZSPOSYRBCV-JCYYIGJDSA-N 0 3 516.594 5.324 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000102761964 555053002 /nfs/dbraw/zinc/05/30/02/555053002.db2.gz WYUHGIYAMHANNI-YPAWHYETSA-N 0 3 513.775 5.162 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000102768426 555056189 /nfs/dbraw/zinc/05/61/89/555056189.db2.gz ZAFDJCICHZAOBI-GMQQYTKMSA-N 0 3 515.396 6.712 50 0 KKAAHN COc1ccc(C(O)(c2ccc(CN(Cc3cc(OC)cc(OC)c3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000102772391 555061161 /nfs/dbraw/zinc/06/11/61/555061161.db2.gz ALMTVVIRFUCBIO-UHFFFAOYSA-N 0 3 545.676 6.256 50 0 KKAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCN(Cc2ccccc2)Cc2ccccc2)c2ccccc12 ZINC000102815753 555075973 /nfs/dbraw/zinc/07/59/73/555075973.db2.gz NHHDUKVEPZZABU-UHFFFAOYSA-N 0 3 606.810 9.730 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C1=O)CCCC2 ZINC000102860634 555091026 /nfs/dbraw/zinc/09/10/26/555091026.db2.gz QDOVJPPZPYWNSY-RJGXRXQPSA-N 0 3 522.648 5.225 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000102863256 555092810 /nfs/dbraw/zinc/09/28/10/555092810.db2.gz GXCHQBXNZCNSIZ-CCDWMCETSA-N 0 3 516.619 5.081 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000102863263 555093333 /nfs/dbraw/zinc/09/33/33/555093333.db2.gz GXCHQBXNZCNSIZ-DSNGMDLFSA-N 0 3 516.619 5.081 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102886965 555117816 /nfs/dbraw/zinc/11/78/16/555117816.db2.gz DSEIGPOPWRCJTQ-KCIBBDPESA-N 0 3 599.539 7.610 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102887037 555117868 /nfs/dbraw/zinc/11/78/68/555117868.db2.gz FFRCNKAHTCNNMI-NHKHRBQYSA-N 0 3 552.558 5.413 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102896676 555136561 /nfs/dbraw/zinc/13/65/61/555136561.db2.gz KNTBAPSEJMDMLH-ZONZVBGPSA-N 0 3 561.015 5.159 50 0 KKAAHN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000102909619 555142413 /nfs/dbraw/zinc/14/24/13/555142413.db2.gz ZUPYTLZMYSMXSB-PMERELPUSA-N 0 3 538.091 6.791 50 0 KKAAHN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)NC3CCN(Cc4ccccc4)CC3)=CSC2=N1 ZINC000102936874 555164799 /nfs/dbraw/zinc/16/47/99/555164799.db2.gz YKZOTUBVQFVUAC-MUUNZHRXSA-N 0 3 548.684 5.135 50 0 KKAAHN CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)NC3CCN(Cc4ccccc4)CC3)=CSC2=N1 ZINC000102940672 555169415 /nfs/dbraw/zinc/16/94/15/555169415.db2.gz KKJRZVJAANAPNF-LJAQVGFWSA-N 0 3 544.721 5.304 50 0 KKAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000103031555 555219372 /nfs/dbraw/zinc/21/93/72/555219372.db2.gz VPMSIDSZVUDOSB-UHFFFAOYSA-N 0 3 557.566 5.873 50 0 KKAAHN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252353 555344471 /nfs/dbraw/zinc/34/44/71/555344471.db2.gz DAHQMVXFKNDONZ-VBTAUBHQSA-N 0 3 623.798 5.667 50 0 KKAAHN O=C(c1cccnc1Cl)N1C[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000103301593 555355782 /nfs/dbraw/zinc/35/57/82/555355782.db2.gz UCRAIYNHBOWGOB-SQJMNOBHSA-N 0 3 529.006 5.432 50 0 KKAAHN O=C(c1cccnc1Cl)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000103301590 555355822 /nfs/dbraw/zinc/35/58/22/555355822.db2.gz UCRAIYNHBOWGOB-PXDATVDWSA-N 0 3 529.006 5.432 50 0 KKAAHN CN(c1ccc(NC(=O)CC(C)(C)C)cc1CN(C(=O)Nc1cccc(F)c1)C1CCCCC1)C1CCN(C)CC1 ZINC000103389363 555375405 /nfs/dbraw/zinc/37/54/05/555375405.db2.gz HRJXOXUZSUYBKQ-UHFFFAOYSA-N 0 3 565.778 7.098 50 0 KKAAHN COc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC000103396950 555382644 /nfs/dbraw/zinc/38/26/44/555382644.db2.gz ZDTZNKPFXWWWFK-UHFFFAOYSA-N 0 3 532.062 5.020 50 0 KKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103420675 555401008 /nfs/dbraw/zinc/40/10/08/555401008.db2.gz QEDWBELVRNWPNG-PGUFJCEWSA-N 0 3 571.765 7.311 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1)NCCN1CCCC1 ZINC000103427961 555409862 /nfs/dbraw/zinc/40/98/62/555409862.db2.gz WSIVYFJJHYTKNP-UMSFTDKQSA-N 0 3 557.738 7.003 50 0 KKAAHN c1ccc(-c2ccc([C@H](c3ccccc3)N3CCN([C@@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)cc2)cc1 ZINC000103625591 555457377 /nfs/dbraw/zinc/45/73/77/555457377.db2.gz GPNHYCAEFDGVBC-COCZKOEFSA-N 0 3 570.780 9.517 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000252257116 562881712 /nfs/dbraw/zinc/88/17/12/562881712.db2.gz MYKURCFTIZBVPS-JXUFNTQASA-N 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572146695 /nfs/dbraw/zinc/14/66/95/572146695.db2.gz JBLXWAXDZJLTKI-PWRODBHTSA-N 0 3 538.412 5.257 50 0 KKAAHN O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226989620 572146697 /nfs/dbraw/zinc/14/66/97/572146697.db2.gz JBLXWAXDZJLTKI-PWRODBHTSA-N 0 3 538.412 5.257 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1cc2ccccc2nc1Cl ZINC000226987842 572146890 /nfs/dbraw/zinc/14/68/90/572146890.db2.gz BVKLXVDDFCVWMA-RJGXRXQPSA-N 0 3 524.791 6.246 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000226987842 572146894 /nfs/dbraw/zinc/14/68/94/572146894.db2.gz BVKLXVDDFCVWMA-RJGXRXQPSA-N 0 3 524.791 6.246 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000227025542 572147711 /nfs/dbraw/zinc/14/77/11/572147711.db2.gz AJACMJRKDCTOFA-JIMJEQGWSA-N 0 3 551.437 5.688 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000227028827 572148237 /nfs/dbraw/zinc/14/82/37/572148237.db2.gz JKEBFQKITFQNHM-YTCPBCGMSA-N 0 3 565.423 6.913 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1OC ZINC000227069492 572148970 /nfs/dbraw/zinc/14/89/70/572148970.db2.gz VSSSKKMRBGOJKO-JIMJEQGWSA-N 0 3 575.876 6.885 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000227085243 572149760 /nfs/dbraw/zinc/14/97/60/572149760.db2.gz GYJZEXAULJKPHL-UPRLRBBYSA-N 0 3 554.986 5.619 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000227236181 572151806 /nfs/dbraw/zinc/15/18/06/572151806.db2.gz CGUYSYHDJNQRAM-UPRLRBBYSA-N 0 3 572.976 5.758 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227246784 572152845 /nfs/dbraw/zinc/15/28/45/572152845.db2.gz KDWRELCAWIZHRN-FRXPANAUSA-N 0 3 555.030 6.369 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000229891627 572165658 /nfs/dbraw/zinc/16/56/58/572165658.db2.gz KROIFPPGQFBDDD-SXEIHZRZSA-N 0 3 628.669 6.635 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000229899412 572167174 /nfs/dbraw/zinc/16/71/74/572167174.db2.gz VAQHQBSKIMNHHU-OJDZSJEKSA-N 0 3 576.630 5.659 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000229936700 572171808 /nfs/dbraw/zinc/17/18/08/572171808.db2.gz XFELALQDBMLPHO-FRXPANAUSA-N 0 3 584.650 5.294 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@@H]3C2=O)cc1 ZINC000229944929 572172336 /nfs/dbraw/zinc/17/23/36/572172336.db2.gz BTHXBGCMBIWQBY-UPRLRBBYSA-N 0 3 563.437 7.093 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000229969236 572175465 /nfs/dbraw/zinc/17/54/65/572175465.db2.gz GXCHQBXNZCNSIZ-ISJGIBHGSA-N 0 3 516.619 5.081 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000229974220 572175971 /nfs/dbraw/zinc/17/59/71/572175971.db2.gz FXNTZKVFCSKVPN-UCDUTVGFSA-N 0 3 508.593 5.804 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230013062 572178347 /nfs/dbraw/zinc/17/83/47/572178347.db2.gz YOVKUQJTLIWORX-ISJGIBHGSA-N 0 3 523.347 6.444 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230019378 572178952 /nfs/dbraw/zinc/17/89/52/572178952.db2.gz UPDAUNONDMLKSA-ISJGIBHGSA-N 0 3 523.347 6.444 50 0 KKAAHN CN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077237 572182611 /nfs/dbraw/zinc/18/26/11/572182611.db2.gz QEURWTABXZDXKQ-NSOVKSMOSA-N 0 3 501.696 5.610 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000230189713 572184878 /nfs/dbraw/zinc/18/48/78/572184878.db2.gz KPQPZBXYSSOLFS-CTMYTVLESA-N 0 3 544.582 5.690 50 0 KKAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000238882028 572188482 /nfs/dbraw/zinc/18/84/82/572188482.db2.gz BVHGOJINBRCZKA-BHIFYINESA-N 0 3 530.886 5.197 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228532 572205465 /nfs/dbraw/zinc/20/54/65/572205465.db2.gz JGNGLITYQVEAHL-ZIIROOFJSA-N 0 3 570.803 5.997 50 0 KKAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2ccccc2F)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239929 572213482 /nfs/dbraw/zinc/21/34/82/572213482.db2.gz HHHGQMKDPJLJQV-WPQKMFINSA-N 0 3 515.544 5.077 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)c(OC)c3)[C@H]2C1=O ZINC000245245133 572216864 /nfs/dbraw/zinc/21/68/64/572216864.db2.gz ABUTVTDZNVYOHY-IDZRBWSNSA-N 0 3 564.594 5.364 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000245246494 572219886 /nfs/dbraw/zinc/21/98/86/572219886.db2.gz MVJZENSCQPGAAN-ZONZVBGPSA-N 0 3 640.670 5.290 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245247830 572221256 /nfs/dbraw/zinc/22/12/56/572221256.db2.gz YBBWWYMELMAGHI-UCDUTVGFSA-N 0 3 508.593 5.723 50 0 KKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245309102 572226980 /nfs/dbraw/zinc/22/69/80/572226980.db2.gz AZKFRKYWHBXYFA-PCEYSVKOSA-N 0 3 545.466 6.582 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245309384 572227470 /nfs/dbraw/zinc/22/74/70/572227470.db2.gz CKXIUWLCPFUSTG-ALBQUZEBSA-N 0 3 536.678 6.364 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000245309744 572227667 /nfs/dbraw/zinc/22/76/67/572227667.db2.gz FXNTZKVFCSKVPN-XTQYNZLPSA-N 0 3 508.593 5.804 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245310431 572228015 /nfs/dbraw/zinc/22/80/15/572228015.db2.gz JIKZPGGKQQGBMI-AGKKXDHOSA-N 0 3 546.026 5.981 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCCC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245311398 572229597 /nfs/dbraw/zinc/22/95/97/572229597.db2.gz OYEMGILYTNZQOA-MPFGFTFXSA-N 0 3 530.621 5.714 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000245312598 572229913 /nfs/dbraw/zinc/22/99/13/572229913.db2.gz WFPBKOUFZWTAQN-AOFBEVEVSA-N 0 3 528.583 6.072 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245312635 572230290 /nfs/dbraw/zinc/23/02/90/572230290.db2.gz WRHSBJXEQMDBBO-GZNUUUAQSA-N 0 3 525.048 6.319 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245325156 572231460 /nfs/dbraw/zinc/23/14/60/572231460.db2.gz CQUVIFAURCHYJI-MJSOWUPRSA-N 0 3 578.621 5.754 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccc(F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245326661 572233038 /nfs/dbraw/zinc/23/30/38/572233038.db2.gz GSVGNCIRFXJYSG-YWEHKCAJSA-N 0 3 530.581 6.998 50 0 KKAAHN Cc1cccc(CN(C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]2CCCO2)c1 ZINC000245343449 572238924 /nfs/dbraw/zinc/23/89/24/572238924.db2.gz PCYPAXKKKZBVFE-LEAFIULHSA-N 0 3 562.579 6.037 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)N[C@H](c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 ZINC000248175808 572256284 /nfs/dbraw/zinc/25/62/84/572256284.db2.gz YZHCZWLUIAZWEZ-NFGXINMFSA-N 0 3 526.023 8.397 50 0 KKAAHN CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)CCN3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000248199307 572256671 /nfs/dbraw/zinc/25/66/71/572256671.db2.gz UCFQKCDRLWOBKQ-SSEXGKCCSA-N 0 3 565.805 5.306 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248211465 572256700 /nfs/dbraw/zinc/25/67/00/572256700.db2.gz DNBQODSTDCIEPN-SVEHJYQDSA-N 0 3 542.617 6.867 50 0 KKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000252430859 572260748 /nfs/dbraw/zinc/26/07/48/572260748.db2.gz OUDOPQGDHPZRET-LEAFIULHSA-N 0 3 548.716 5.457 50 0 KKAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252585319 572264545 /nfs/dbraw/zinc/26/45/45/572264545.db2.gz HSEDMGOCZZYPGG-KLYHJDAGSA-N 0 3 708.731 5.231 50 0 KKAAHN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253612760 572301251 /nfs/dbraw/zinc/30/12/51/572301251.db2.gz UVVRCAOQNORAME-WXVDVHBBSA-N 0 3 525.862 8.816 50 0 KKAAHN COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c(OC)c1 ZINC000102033084 1069840534 /nfs/dbraw/zinc/84/05/34/1069840534.db2.gz ZBTHVDIHGHVTCF-MUUNZHRXSA-N 0 3 553.703 6.348 50 0 KKAAHN COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c(OC)c1OC ZINC000102020659 1069840803 /nfs/dbraw/zinc/84/08/03/1069840803.db2.gz NTJCENNQVAJCFU-NDEPHWFRSA-N 0 3 583.729 6.356 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000102597379 1069860630 /nfs/dbraw/zinc/86/06/30/1069860630.db2.gz JZSGRUQDTSBXMS-UHFFFAOYSA-N 0 3 543.689 5.099 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012190724 1071238557 /nfs/dbraw/zinc/23/85/57/1071238557.db2.gz UOGPRVMGHIXUAH-LLHNEZGQSA-N 0 3 523.652 6.337 50 0 KKAAHN O=C([C@@H]1C[C@@H](NCc2ccc(F)cc2F)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000140615793 1071240842 /nfs/dbraw/zinc/24/08/42/1071240842.db2.gz CUHNLQZYAORPIZ-NAKRPHOHSA-N 0 3 558.595 5.065 50 0 KKAAHN CC(C)C(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618257390 1071278672 /nfs/dbraw/zinc/27/86/72/1071278672.db2.gz WSHJQMRAJLNKTB-UHFFFAOYSA-N 0 3 576.063 5.650 50 0 KKAAHN CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccc(OC)c(OC)c2)C1 ZINC000014742556 1072891241 /nfs/dbraw/zinc/89/12/41/1072891241.db2.gz PEWOMQNCUIUVRA-LEWJYISDSA-N 0 3 508.581 5.156 50 0 KKAAHN CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Br)cc2)/C(=C\c2ccc(Br)cc2)C1 ZINC000000988974 551593080 /nfs/dbraw/zinc/59/30/80/551593080.db2.gz OOSZTDJGFNVZTJ-AAKHDSTQSA-N 0 3 527.260 5.692 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000001270136 551634561 /nfs/dbraw/zinc/63/45/61/551634561.db2.gz NTYZTCUSRHTOFQ-CPWWYQHDSA-N 0 3 571.073 5.946 50 0 KKAAHN COc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(NC(C)=O)cc1 ZINC000001317833 551640966 /nfs/dbraw/zinc/64/09/66/551640966.db2.gz UHXJQHQVPKOXDR-MGBGTMOVSA-N 0 3 547.655 6.528 50 0 biogenic KKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000001322173 551641800 /nfs/dbraw/zinc/64/18/00/551641800.db2.gz DTLUTYPHOACBQO-GDLZYMKVSA-N 0 3 505.058 7.084 50 0 biogenic KKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc(C(=O)OCC(C)C)cc2)c1 ZINC000001322862 551642048 /nfs/dbraw/zinc/64/20/48/551642048.db2.gz YPKMITBMJOBYFE-GDLZYMKVSA-N 0 3 514.622 5.812 50 0 biogenic KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001838510 551713092 /nfs/dbraw/zinc/71/30/92/551713092.db2.gz OIRWBXMOGKGXBN-FCEKVYKBSA-N 0 3 599.437 5.728 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Br)cc5)o4)[C@@H]3C2=O)cc1 ZINC000001887724 551725946 /nfs/dbraw/zinc/72/59/46/551725946.db2.gz JLVJUJUWUPBZTE-HZFUHODCSA-N 0 3 573.443 6.549 50 0 KKAAHN COc1ccc(OC)c(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)c1 ZINC000002133380 551773074 /nfs/dbraw/zinc/77/30/74/551773074.db2.gz QLLLGFMAOYLOFG-UHFFFAOYSA-N 0 3 520.633 5.795 50 0 biogenic KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000002418109 552115130 /nfs/dbraw/zinc/11/51/30/552115130.db2.gz YOVKUQJTLIWORX-DSNGMDLFSA-N 0 3 523.347 6.444 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967788 552238582 /nfs/dbraw/zinc/23/85/82/552238582.db2.gz KPBFGTCZLONSCL-DNQXCXABSA-N 0 3 559.717 5.126 50 0 KKAAHN CC(C)(C)c1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000002967826 552238597 /nfs/dbraw/zinc/23/85/97/552238597.db2.gz ZOSHMCUNGDPNQS-HSZRJFAPSA-N 0 3 500.624 5.176 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3ccccc3Cl)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034074 552268562 /nfs/dbraw/zinc/26/85/62/552268562.db2.gz RPDQEKLLMWLLMW-UHFFFAOYSA-N 0 3 547.171 6.274 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)c3ccc4c(c3)N(Cc3c(F)cccc3Cl)C(=O)CS4)CC2)cc1 ZINC000003042030 552273180 /nfs/dbraw/zinc/27/31/80/552273180.db2.gz INVJNNFBTVYMMO-UHFFFAOYSA-N 0 3 552.115 6.068 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054271 552279534 /nfs/dbraw/zinc/27/95/34/552279534.db2.gz RDZHWCRXAAHKQC-NRFANRHFSA-N 0 3 506.071 5.866 50 0 KKAAHN CN(CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054703 552279815 /nfs/dbraw/zinc/27/98/15/552279815.db2.gz NULLBDOMFMVAES-NLRVBDNBSA-N 0 3 550.522 5.567 50 0 KKAAHN CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000003588952 552392108 /nfs/dbraw/zinc/39/21/08/552392108.db2.gz QXIIMQSPFQMYFB-WPWMEQJKSA-N 0 3 518.082 5.844 50 0 KKAAHN c1nn(-c2ccccc2)c2nc(N3CCCCCC3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000004257308 552453361 /nfs/dbraw/zinc/45/33/61/552453361.db2.gz WPXFZLWEVASSRU-UHFFFAOYSA-N 0 3 543.719 6.108 50 0 KKAAHN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000006166801 552556857 /nfs/dbraw/zinc/55/68/57/552556857.db2.gz TWRHJLPEDQFJHW-UHFFFAOYSA-N 0 3 627.675 9.002 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCCCC)cc2)CN(C)C)cc1 ZINC000006480868 552593736 /nfs/dbraw/zinc/59/37/36/552593736.db2.gz CETPKDROUAYFOD-KYJUHHDHSA-N 0 3 552.800 7.026 50 0 KKAAHN CCN(CC)c1ccc([C@H]2c3ccccc3C(=O)SC3=C2CC(C)(C)CN3C(=N)Nc2ccccc2)cc1 ZINC000008385436 552990780 /nfs/dbraw/zinc/99/07/80/552990780.db2.gz WBZLNHWSJZSGKL-NDEPHWFRSA-N 0 3 524.734 7.542 50 0 KKAAHN CN(Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C1CCCCC1 ZINC000008432623 553026654 /nfs/dbraw/zinc/02/66/54/553026654.db2.gz WIKNIIMPGCSRCC-UHFFFAOYSA-N 0 3 626.389 8.554 50 0 KKAAHN COc1ccc2nc(C)cc(Nc3ccc(Oc4ccc(Br)c5ccccc45)c(Cl)c3)c2c1 ZINC000008453800 553066914 /nfs/dbraw/zinc/06/69/14/553066914.db2.gz YCJYDPUXCYZWBC-UHFFFAOYSA-N 0 3 519.826 8.657 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000008749476 553134951 /nfs/dbraw/zinc/13/49/51/553134951.db2.gz ROIRYERHUJQZFL-ZORMNXRFSA-N 0 3 612.771 6.348 50 0 KKAAHN CC(=O)Nc1cc(C(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)ccc1Sc1ccc(F)cc1 ZINC000008811348 553149028 /nfs/dbraw/zinc/14/90/28/553149028.db2.gz VQDNPAJYFNNGEA-UHFFFAOYSA-N 0 3 505.659 5.886 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000008817828 553153135 /nfs/dbraw/zinc/15/31/35/553153135.db2.gz VQSRNBNMHNOSTP-JOCHJYFZSA-N 0 3 500.437 5.212 50 0 KKAAHN COc1ccc(C(=O)[C@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000009046804 553204313 /nfs/dbraw/zinc/20/43/13/553204313.db2.gz WUCCTPWXHXLLMT-HNRBIFIRSA-N 0 3 520.714 5.754 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(N(C)C)cc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000009187864 553218037 /nfs/dbraw/zinc/21/80/37/553218037.db2.gz FVHBEHQFGCWIAM-DEOSSOPVSA-N 0 3 500.566 5.032 50 0 KKAAHN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432874 553262651 /nfs/dbraw/zinc/26/26/51/553262651.db2.gz RJZOUPMTYJYFRL-IZLXSDGUSA-N 0 3 535.710 5.219 50 0 KKAAHN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432873 553262663 /nfs/dbraw/zinc/26/26/63/553262663.db2.gz RJZOUPMTYJYFRL-VSGBNLITSA-N 0 3 535.710 5.219 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009433322 553263128 /nfs/dbraw/zinc/26/31/28/553263128.db2.gz NQXXNRNWPQCWOE-VMPREFPWSA-N 0 3 533.738 6.229 50 0 KKAAHN CN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433506 553263348 /nfs/dbraw/zinc/26/33/48/553263348.db2.gz QEURWTABXZDXKQ-VSGBNLITSA-N 0 3 501.696 5.610 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4ccc(Cl)cc4)nn3cnc1O2 ZINC000009486970 553272904 /nfs/dbraw/zinc/27/29/04/553272904.db2.gz HDMRPLXQKCDDGG-HSZRJFAPSA-N 0 3 510.941 5.730 50 0 KKAAHN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c12 ZINC000009610391 553288456 /nfs/dbraw/zinc/28/84/56/553288456.db2.gz UEYVOSQPQYMOJE-UHFFFAOYSA-N 0 3 502.062 5.375 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)cc1 ZINC000009857853 553313770 /nfs/dbraw/zinc/31/37/70/553313770.db2.gz KJKYZOJOYBHPNK-LOYHVIPDSA-N 0 3 529.750 6.022 50 0 KKAAHN COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)CCn3nc(C)cc3C)cc12 ZINC000011786014 553342817 /nfs/dbraw/zinc/34/28/17/553342817.db2.gz NRJCZCCOFJXNCX-UHFFFAOYSA-N 0 3 529.685 5.021 50 0 KKAAHN Cc1ccsc1C(=O)N1CCCC[C@H]1CCOc1ccc(CN(C)Cc2cccc3ncccc23)cc1 ZINC000011909868 553348774 /nfs/dbraw/zinc/34/87/74/553348774.db2.gz PWEYKJDXKJDBOG-SANMLTNESA-N 0 3 513.707 6.701 50 0 KKAAHN CCOc1ccccc1CN1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)OC)C1 ZINC000012190829 553353581 /nfs/dbraw/zinc/35/35/81/553353581.db2.gz CSLREHJRPYXZKU-BKMJKUGQSA-N 0 3 533.635 5.070 50 0 KKAAHN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374697 553361044 /nfs/dbraw/zinc/36/10/44/553361044.db2.gz MDLDKUNSOCMVCQ-UHFFFAOYSA-N 0 3 527.566 5.281 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4cccc(C)c4C)nn3cnc1O2 ZINC000013557164 553471289 /nfs/dbraw/zinc/47/12/89/553471289.db2.gz JFBNTTUPTRDKSK-VWLOTQADSA-N 0 3 504.550 5.693 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000013759029 553488572 /nfs/dbraw/zinc/48/85/72/553488572.db2.gz KJVIXBVZEXEVAM-NJDAHSKKSA-N 0 3 508.188 6.351 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013778711 553490175 /nfs/dbraw/zinc/49/01/75/553490175.db2.gz ODGNBOYPZLPWND-DSNGMDLFSA-N 0 3 505.357 6.305 50 0 KKAAHN CCCc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000013817043 553492923 /nfs/dbraw/zinc/49/29/23/553492923.db2.gz BYPZELJQHIWEOW-UHFFFAOYSA-N 0 3 501.678 6.569 50 0 KKAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)CN(Cc2ccc(O)cc2)C1 ZINC000014744223 553519903 /nfs/dbraw/zinc/51/99/03/553519903.db2.gz BYPVCIDDVLVCNR-LOSJGSFVSA-N 0 3 511.597 5.078 50 0 KKAAHN C[C@@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000014973235 553522937 /nfs/dbraw/zinc/52/29/37/553522937.db2.gz VQDNAGMATKKGOW-DEOSSOPVSA-N 0 3 532.754 5.859 50 0 KKAAHN COc1cccc(C(=O)N2CCC(Oc3ccc(CN(C)Cc4cc5ccccc5s4)cc3)CC2)c1OC ZINC000014987542 553523834 /nfs/dbraw/zinc/52/38/34/553523834.db2.gz TWXCJSFSVPOJNG-UHFFFAOYSA-N 0 3 530.690 6.234 50 0 KKAAHN COc1cc2c(cc1CN1CCC(c3nnc(SC[C@H]4CCCO4)n3C)CC1)oc(C)c2-c1ccccc1 ZINC000015071112 553527417 /nfs/dbraw/zinc/52/74/17/553527417.db2.gz QTXMWCWTRUFKFU-XMMPIXPASA-N 0 3 532.710 6.196 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017953523 553600726 /nfs/dbraw/zinc/60/07/26/553600726.db2.gz VEBFZECWXXXTMH-VJGNERBWSA-N 0 3 521.013 5.969 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000017953523 553600727 /nfs/dbraw/zinc/60/07/27/553600727.db2.gz VEBFZECWXXXTMH-VJGNERBWSA-N 0 3 521.013 5.969 50 0 KKAAHN CSc1nc2sc3c(c2c(N2CCN(C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000020357735 553642617 /nfs/dbraw/zinc/64/26/17/553642617.db2.gz CQAHZSFIWVDTDW-UHFFFAOYSA-N 0 3 516.736 6.176 50 0 KKAAHN CCOC(=O)c1c(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)sc2c1CCCC2 ZINC000020386533 553643978 /nfs/dbraw/zinc/64/39/78/553643978.db2.gz JNAHSFRKKLRWEJ-QGZVFWFLSA-N 0 3 526.728 5.917 50 0 KKAAHN Cc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)ccc1Br ZINC000020386620 553644021 /nfs/dbraw/zinc/64/40/21/553644021.db2.gz VJRIEKKGGXLZFL-QFIPXVFZSA-N 0 3 529.548 6.897 50 0 KKAAHN CC[C@@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020386540 553644121 /nfs/dbraw/zinc/64/41/21/553644121.db2.gz WBFFGWZLLSMJCY-GOSISDBHSA-N 0 3 503.068 5.860 50 0 KKAAHN Cc1nn2c(nc(C(C)C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000020533343 553670722 /nfs/dbraw/zinc/67/07/22/553670722.db2.gz KEDXETRLKFZSHS-UHFFFAOYSA-N 0 3 501.678 6.740 50 0 KKAAHN CN(CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020726409 553690315 /nfs/dbraw/zinc/69/03/15/553690315.db2.gz BLAOSVWMWWXTHM-ITYLOYPMSA-N 0 3 506.071 5.458 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020737671 553694681 /nfs/dbraw/zinc/69/46/81/553694681.db2.gz KWPZNKJRBDWMGN-DGXULUGGSA-N 0 3 511.691 5.889 50 0 KKAAHN O[C@@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790583 553698122 /nfs/dbraw/zinc/69/81/22/553698122.db2.gz GJHFZSLUXJCFOI-UIOOFZCWSA-N 0 3 531.700 5.337 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000095346123 553701120 /nfs/dbraw/zinc/70/11/20/553701120.db2.gz NVILDXNSTJZWOP-VJGNERBWSA-N 0 3 508.505 5.096 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCC2)cc1 ZINC000095785619 553713133 /nfs/dbraw/zinc/71/31/33/553713133.db2.gz QTPUABBGOFNODG-MEKGRNQZSA-N 0 3 576.822 7.314 50 0 KKAAHN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c23)C1 ZINC000096021838 553717869 /nfs/dbraw/zinc/71/78/69/553717869.db2.gz GTESPTSWVAZWLZ-XMMPIXPASA-N 0 3 553.776 5.560 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189816 553727177 /nfs/dbraw/zinc/72/71/77/553727177.db2.gz ZBOLDFALAJJQAG-WXGMZPBLSA-N 0 3 510.081 6.216 50 0 KKAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096275513 553732561 /nfs/dbraw/zinc/73/25/61/553732561.db2.gz VZRZEUYGMJPBJM-HHHXNRCGSA-N 0 3 511.666 5.500 50 0 KKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022450012 553742421 /nfs/dbraw/zinc/74/24/21/553742421.db2.gz JSINNAXMFTZUHV-IZZNHLLZSA-N 0 3 601.578 6.249 50 0 KKAAHN O[C@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022790410 553750310 /nfs/dbraw/zinc/75/03/10/553750310.db2.gz ZTFQXYHIJMSPAI-XIFFEERXSA-N 0 3 551.734 7.307 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000022873395 553766118 /nfs/dbraw/zinc/76/61/18/553766118.db2.gz VHVJBTKSEFANSC-CLJLJLNGSA-N 0 3 611.584 5.705 50 0 KKAAHN O=C([N-]C(=O)c1ccc(CC2CC[NH2+]CC2)cc1)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000097940602 553766365 /nfs/dbraw/zinc/76/63/65/553766365.db2.gz DEZWVSDTFJFULC-UHFFFAOYSA-N 0 3 600.563 6.689 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000022917928 553766895 /nfs/dbraw/zinc/76/68/95/553766895.db2.gz RMJFSURTHRYTEK-TYHGNQNSSA-N 0 3 524.712 7.763 50 0 KKAAHN CCN1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1 ZINC000022947462 553768451 /nfs/dbraw/zinc/76/84/51/553768451.db2.gz CFZVDKIKDGHATA-JBASAIQMSA-N 0 3 540.733 5.042 50 0 KKAAHN CCCC[C@@H](CC)C(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023424773 553774805 /nfs/dbraw/zinc/77/48/05/553774805.db2.gz LZFUNZMSPUQRBQ-OAQYLSRUSA-N 0 3 514.636 6.706 50 0 KKAAHN CCOC(=O)c1ccc(OC2CC3CCC(C2)N3C(=O)c2ccc(CSc3ccc(CC)cc3)cc2)cc1 ZINC000023445549 553779904 /nfs/dbraw/zinc/77/99/04/553779904.db2.gz NPXJTEGMOUZXSU-JSFNERCOSA-N 0 3 529.702 6.933 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(COc5ccccc5)nc4c32)cc1OC ZINC000097954164 553821655 /nfs/dbraw/zinc/82/16/55/553821655.db2.gz ZSABOOONXDDYDY-MHZLTWQESA-N 0 3 546.587 5.501 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000097954868 553826082 /nfs/dbraw/zinc/82/60/82/553826082.db2.gz COURBZJPRAMGCV-NXCFDTQHSA-N 0 3 529.390 5.662 50 0 KKAAHN OCCN1CCN(C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000028296573 553841734 /nfs/dbraw/zinc/84/17/34/553841734.db2.gz CYBJSRCFGLFQHZ-MUUNZHRXSA-N 0 3 505.662 5.099 50 0 KKAAHN Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccc(C)cc4c(-c4ccccc4)c3-c3ccccc3)CC2)cc1 ZINC000028464556 553842555 /nfs/dbraw/zinc/84/25/55/553842555.db2.gz DVVPMGSHVZDXFX-HKBQPEDESA-N 0 3 515.701 6.775 50 0 KKAAHN CCCCN(CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O)Cc1ccccc1 ZINC000029749743 553852485 /nfs/dbraw/zinc/85/24/85/553852485.db2.gz AYKBDWCRYVBRPV-UHFFFAOYSA-N 0 3 580.795 5.008 50 0 KKAAHN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)cc1 ZINC000097963592 553892090 /nfs/dbraw/zinc/89/20/90/553892090.db2.gz XECORAPKPVPJMU-UHFFFAOYSA-N 0 3 577.813 5.927 50 0 KKAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354943 553932195 /nfs/dbraw/zinc/93/21/95/553932195.db2.gz WDJNIEADSJLIEA-XZNUUDFLSA-N 0 3 548.053 5.923 50 0 KKAAHN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354947 553932214 /nfs/dbraw/zinc/93/22/14/553932214.db2.gz OXFNGVCONGIWPX-UHFFFAOYSA-N 0 3 534.623 5.507 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)Cn4nc(C(F)(F)F)cc4C)ccc3nc3c2CCCC3)cc1OC ZINC000033356870 553945127 /nfs/dbraw/zinc/94/51/27/553945127.db2.gz OFPXPBZMMHUHGE-UHFFFAOYSA-N 0 3 539.558 6.037 50 0 KKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@H]2c2ccccc2)c1 ZINC000034671837 553982646 /nfs/dbraw/zinc/98/26/46/553982646.db2.gz SJICJDFQSJIVDR-NRUKRWIHSA-N 0 3 508.637 6.366 50 0 KKAAHN COc1ccc(N(C(=O)c2ccccc2OC)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000034682882 553985503 /nfs/dbraw/zinc/98/55/03/553985503.db2.gz DOPQKJIBRGDXLB-UHFFFAOYSA-N 0 3 502.655 6.147 50 0 KKAAHN O=C(NCc1ccncc1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000034685556 553987047 /nfs/dbraw/zinc/98/70/47/553987047.db2.gz GMHHKUHCWCWXRL-MGBGTMOVSA-N 0 3 529.640 6.331 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)C4CCCC4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698110 553991139 /nfs/dbraw/zinc/99/11/39/553991139.db2.gz CNFGSVWYBVOVGZ-HOFKKMOUSA-N 0 3 515.620 5.268 50 0 KKAAHN COc1ccc([C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699338 553992380 /nfs/dbraw/zinc/99/23/80/553992380.db2.gz NNXCOQQFPCDIQP-RBJSKKJNSA-N 0 3 514.563 6.117 50 0 KKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCC2)C(=O)Nc2ccc(C)cc2)s1 ZINC000034736192 553997752 /nfs/dbraw/zinc/99/77/52/553997752.db2.gz NAHVOHRBLCPNKA-UHFFFAOYSA-N 0 3 522.690 5.663 50 0 KKAAHN CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830246 554014946 /nfs/dbraw/zinc/01/49/46/554014946.db2.gz MIOIMFUAKFSCJR-GIGWZHCTSA-N 0 3 509.760 5.671 50 0 KKAAHN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)CN(c4ccccc4OC)C3=O)c2)c(C(C)(C)CC)c1 ZINC000097997038 554039482 /nfs/dbraw/zinc/03/94/82/554039482.db2.gz QNFAZNSNRBOPQE-DIPNUNPCSA-N 0 3 775.387 8.913 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5Br)nc4c32)cc1 ZINC000098000234 554049649 /nfs/dbraw/zinc/04/96/49/554049649.db2.gz DXQBHZJLKVNWAD-DEOSSOPVSA-N 0 3 565.431 6.342 50 0 KKAAHN O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005764 554058278 /nfs/dbraw/zinc/05/82/78/554058278.db2.gz UGDVFUWPVHWRQC-UHFFFAOYSA-N 0 3 550.050 5.857 50 0 KKAAHN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006282 554061088 /nfs/dbraw/zinc/06/10/88/554061088.db2.gz AYVCODBACZNFIJ-YYTJKGSJSA-N 0 3 573.660 5.287 50 0 KKAAHN O=C1C2ON(c3cccc(Br)c3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000098008443 554067595 /nfs/dbraw/zinc/06/75/95/554067595.db2.gz JBGPXVAJRGZCSL-NJDAHSKKSA-N 0 3 562.645 5.916 50 0 KKAAHN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)/C=C/c1ccccc1 ZINC000035774025 554073589 /nfs/dbraw/zinc/07/35/89/554073589.db2.gz GDLDOOPTTOFSDW-SDNWHVSQSA-N 0 3 519.686 5.362 50 0 KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)SCC1=O ZINC000098011169 554078130 /nfs/dbraw/zinc/07/81/30/554078130.db2.gz YWRFXKBEUDHRHH-GDLZYMKVSA-N 0 3 578.113 5.179 50 0 KKAAHN COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@H]23)cc1 ZINC000035871461 554085956 /nfs/dbraw/zinc/08/59/56/554085956.db2.gz SNBZYKGSARCDRH-AHKZPQOWSA-N 0 3 509.572 5.258 50 0 KKAAHN CCc1cccc2c([C@H](CC(=O)NCCN3CCCCC3)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000035872478 554086996 /nfs/dbraw/zinc/08/69/96/554086996.db2.gz VKDPNYSYGMYGET-WJOKGBTCSA-N 0 3 523.721 7.140 50 0 KKAAHN COc1cccc(CN2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035927822 554101133 /nfs/dbraw/zinc/10/11/33/554101133.db2.gz OPHSKUANTZQTKE-UHFFFAOYSA-N 0 3 518.665 5.436 50 0 KKAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1 ZINC000098043738 554128606 /nfs/dbraw/zinc/12/86/06/554128606.db2.gz IFUTVBBIKMJMLR-DQEYMECFSA-N 0 3 769.376 7.230 50 0 KKAAHN O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000098048137 554159781 /nfs/dbraw/zinc/15/97/81/554159781.db2.gz XRPGHOCYUVKYDR-QHCPKHFHSA-N 0 3 665.357 5.225 50 0 KKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036301647 554211442 /nfs/dbraw/zinc/21/14/42/554211442.db2.gz QIMXNGXATPZSKZ-XXBNENTESA-N 0 3 502.055 5.633 50 0 KKAAHN CCCC(=O)OC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302406 554212351 /nfs/dbraw/zinc/21/23/51/554212351.db2.gz OFEBRPPTFJQPSJ-DEOSSOPVSA-N 0 3 509.647 5.144 50 0 KKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@H](O)COCc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305263 554215503 /nfs/dbraw/zinc/21/55/03/554215503.db2.gz ZBQWXVFAFVLXGY-MHZLTWQESA-N 0 3 529.681 5.924 50 0 KKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000100208460 554248623 /nfs/dbraw/zinc/24/86/23/554248623.db2.gz YSNVCRQLJRUZRP-ZLNRFVROSA-N 0 3 511.803 5.770 50 0 KKAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1cccc(Cl)c1 ZINC000037524927 554250283 /nfs/dbraw/zinc/25/02/83/554250283.db2.gz QUKCWABSGXEJER-UHFFFAOYSA-N 0 3 523.121 5.219 50 0 KKAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccccc1Cl ZINC000037525247 554250595 /nfs/dbraw/zinc/25/05/95/554250595.db2.gz CYDXPTOKQGLOFZ-UHFFFAOYSA-N 0 3 523.121 5.219 50 0 KKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000100225795 554253280 /nfs/dbraw/zinc/25/32/80/554253280.db2.gz OUDOPQGDHPZRET-LSYYVWMOSA-N 0 3 548.716 5.457 50 0 KKAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Br)c3)N12 ZINC000038144951 554266435 /nfs/dbraw/zinc/26/64/35/554266435.db2.gz FYTBEHAACLDCSC-QCENPCRXSA-N 0 3 583.530 5.280 50 0 biogenic KKAAHN Clc1ccc(CN2CCN(CCCCOc3ccc(/C=C/c4ccc5ccccc5n4)cc3)CC2)cc1 ZINC000043761424 554299652 /nfs/dbraw/zinc/29/96/52/554299652.db2.gz TWDDXAFFAOARHD-OQLLNIDSSA-N 0 3 512.097 7.035 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000049766992 554325622 /nfs/dbraw/zinc/32/56/22/554325622.db2.gz HRKFJRCDWJUEPA-HSZRJFAPSA-N 0 3 631.412 7.068 50 0 KKAAHN CCOc1c(Br)cc([C@@H]2NC[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356909 554345035 /nfs/dbraw/zinc/34/50/35/554345035.db2.gz CEYLFJGEHUEGAU-DFBJGRDBSA-N 0 3 537.454 6.179 50 0 KKAAHN COCc1c(C(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c(=O)cc(C)n1Cc1cccc2ccccc21 ZINC000055119931 554350339 /nfs/dbraw/zinc/35/03/39/554350339.db2.gz YSTAYDMJEQFSDD-UHFFFAOYSA-N 0 3 539.720 5.087 50 0 KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4 ZINC000100758580 554467483 /nfs/dbraw/zinc/46/74/83/554467483.db2.gz DFOCUWZXJBAUSQ-WDYNHAJCSA-N 0 3 608.735 6.859 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(C)cc2s1 ZINC000060209667 554503300 /nfs/dbraw/zinc/50/33/00/554503300.db2.gz IJGGCBJKOSEIDS-UHFFFAOYSA-N 0 3 542.771 5.547 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209685 554503318 /nfs/dbraw/zinc/50/33/18/554503318.db2.gz WABLJKCIEPTBQY-UHFFFAOYSA-N 0 3 578.760 5.435 50 0 KKAAHN O=C(c1ccccc1Cl)C1[C@@H](C(=O)c2ccco2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101036520 554565493 /nfs/dbraw/zinc/56/54/93/554565493.db2.gz DGZNYJDFEHVQNV-ANOKCIKSSA-N 0 3 520.972 5.789 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccs2)c(C)c1 ZINC000101052920 554568914 /nfs/dbraw/zinc/56/89/14/554568914.db2.gz JOEOKJXDNKQEDK-GDLZYMKVSA-N 0 3 559.761 5.065 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101064636 554572661 /nfs/dbraw/zinc/57/26/61/554572661.db2.gz KYYFKOQRQJVVSI-OVDFTCDZSA-N 0 3 581.491 6.367 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101084563 554580211 /nfs/dbraw/zinc/58/02/11/554580211.db2.gz DLRWMULHGRLADS-UBFVSLLYSA-N 0 3 594.259 6.523 50 0 KKAAHN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3[nH]cc(CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3c2)cc1 ZINC000101108598 554640721 /nfs/dbraw/zinc/64/07/21/554640721.db2.gz NUNRLDRGZYHFKV-UHFFFAOYSA-N 0 3 578.679 6.866 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101126863 554645736 /nfs/dbraw/zinc/64/57/36/554645736.db2.gz SSMXUCCOZRWLOK-JBOQNHBVSA-N 0 3 522.601 6.078 50 0 KKAAHN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(Br)cc2)cc1 ZINC000101127626 554646041 /nfs/dbraw/zinc/64/60/41/554646041.db2.gz ZQXSEUNMRRKKLC-CYXNTTPDSA-N 0 3 557.400 5.440 50 0 KKAAHN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000101128224 554646352 /nfs/dbraw/zinc/64/63/52/554646352.db2.gz QTIPIEDCOGDDPQ-VSKRKVRLSA-N 0 3 530.886 5.197 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101172556 554661943 /nfs/dbraw/zinc/66/19/43/554661943.db2.gz WJBKNADKNWZSOA-NXCFDTQHSA-N 0 3 500.938 5.259 50 0 KKAAHN O=C(c1ccccc1Cl)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101194107 554671508 /nfs/dbraw/zinc/67/15/08/554671508.db2.gz TZKKNIYAEZJSNX-ANOKCIKSSA-N 0 3 537.040 6.258 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101198961 554672533 /nfs/dbraw/zinc/67/25/33/554672533.db2.gz GGJSBAVHTXLFCL-ANOKCIKSSA-N 0 3 537.040 6.258 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000101203013 554673453 /nfs/dbraw/zinc/67/34/53/554673453.db2.gz HWNDGFQPGNFMEN-QODLHPCFSA-N 0 3 531.637 5.698 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101217231 554684523 /nfs/dbraw/zinc/68/45/23/554684523.db2.gz RAYJLBGXBQZTPU-IARZGTGTSA-N 0 3 514.578 5.128 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254640 554695221 /nfs/dbraw/zinc/69/52/21/554695221.db2.gz JDJGHAPPLLLPNE-RUZDIDTESA-N 0 3 573.159 5.200 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101359170 554741544 /nfs/dbraw/zinc/74/15/44/554741544.db2.gz GXIJCBIMSSQPFG-MFUXGYHDSA-N 0 3 537.040 6.258 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000101361078 554742812 /nfs/dbraw/zinc/74/28/12/554742812.db2.gz BCEGFARFUFCHIC-CTMYTVLESA-N 0 3 528.583 5.990 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000101386132 554751181 /nfs/dbraw/zinc/75/11/81/554751181.db2.gz KURRTRAUUXOBQV-RYCFQHDISA-N 0 3 597.804 5.537 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386169 554751203 /nfs/dbraw/zinc/75/12/03/554751203.db2.gz GJRJSGAKIAPDFN-IPZQJPLYSA-N 0 3 623.798 6.150 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386245 554751740 /nfs/dbraw/zinc/75/17/40/554751740.db2.gz OICWGDKCYXFDBU-BFGHFXMOSA-N 0 3 592.784 6.747 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2 ZINC000101406974 554762221 /nfs/dbraw/zinc/76/22/21/554762221.db2.gz YDBKIQPKQSPWBG-QFIPXVFZSA-N 0 3 539.623 6.231 50 0 KKAAHN Clc1ccc(Cn2ncc3c2ncnc3N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 ZINC000101483698 554785071 /nfs/dbraw/zinc/78/50/71/554785071.db2.gz QZBPPXZEKVGNQH-UHFFFAOYSA-N 0 3 527.459 6.073 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506589 554790392 /nfs/dbraw/zinc/79/03/92/554790392.db2.gz OKOUWOUTFZMVPU-LZBRRTOVSA-N 0 3 600.763 5.899 50 0 KKAAHN CCOc1cc2sc(N3CCC(C(=O)NCCCN(C)Cc4ccccc4)CC3)nc2cc1Br ZINC000101582891 554800836 /nfs/dbraw/zinc/80/08/36/554800836.db2.gz NAPLAQASZMIXDP-UHFFFAOYSA-N 0 3 545.547 5.312 50 0 KKAAHN COc1cccc(C(=O)N2CCC[C@H](COc3ccc(CN(C)Cc4cccc5ccccc54)cc3)C2)c1OC ZINC000101603900 554804778 /nfs/dbraw/zinc/80/47/78/554804778.db2.gz VTZDGGPXLGGHMY-SANMLTNESA-N 0 3 538.688 6.420 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101636876 554813165 /nfs/dbraw/zinc/81/31/65/554813165.db2.gz DWERBXWKJZHGBE-SJARJILFSA-N 0 3 627.210 5.605 50 0 KKAAHN O=C(c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)N1CCN(C2CCCCC2)CC1 ZINC000101636483 554813187 /nfs/dbraw/zinc/81/31/87/554813187.db2.gz VPRWLHIPMYVXDT-DFKUXCBWSA-N 0 3 572.174 7.111 50 0 KKAAHN COc1cccc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c1OC ZINC000102079630 554875828 /nfs/dbraw/zinc/87/58/28/554875828.db2.gz QDUVGLSMEJDKNU-NDEPHWFRSA-N 0 3 553.703 6.348 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102546410 554959441 /nfs/dbraw/zinc/95/94/41/554959441.db2.gz QBPQPBWTXZKNEU-IARZGTGTSA-N 0 3 617.427 5.867 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cn4ccccc4n3)CC2)cc1 ZINC000102589651 554973771 /nfs/dbraw/zinc/97/37/71/554973771.db2.gz JUZPNJOPXNGIET-UHFFFAOYSA-N 0 3 539.705 5.018 50 0 KKAAHN Cc1cc(-c2c(C)nc3scc(CC(=O)NC4CCN(Cc5ccccc5)CC4)n3c2=O)nn1-c1cccc(C)c1C ZINC000102605546 554978452 /nfs/dbraw/zinc/97/84/52/554978452.db2.gz DVOONUAQANCMPF-UHFFFAOYSA-N 0 3 580.758 5.166 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc5ccccc5nc4Cl)[C@H]3C2=O)cc1 ZINC000102732521 555024088 /nfs/dbraw/zinc/02/40/88/555024088.db2.gz HZSICYNQWBCOCM-UODIDJSMSA-N 0 3 513.981 5.728 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102737403 555026728 /nfs/dbraw/zinc/02/67/28/555026728.db2.gz JSGQRPYSFKALDC-JFHPUIQFSA-N 0 3 536.628 6.469 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102738448 555027212 /nfs/dbraw/zinc/02/72/12/555027212.db2.gz UUVNEGGURRLIHJ-CCDWMCETSA-N 0 3 539.802 6.958 50 0 KKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[C@@H]2C1=O ZINC000102741643 555030508 /nfs/dbraw/zinc/03/05/08/555030508.db2.gz SBRNQJTWTNZDQK-ZRRKCSAHSA-N 0 3 512.650 6.347 50 0 KKAAHN COC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102745407 555037157 /nfs/dbraw/zinc/03/71/57/555037157.db2.gz VGAMAJUYWVALNG-PMERELPUSA-N 0 3 558.748 5.729 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102746499 555038941 /nfs/dbraw/zinc/03/89/41/555038941.db2.gz LRMJHMLBWTVHRI-TWJOJJKGSA-N 0 3 541.431 6.232 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102754076 555046143 /nfs/dbraw/zinc/04/61/43/555046143.db2.gz HIOGIZPYTOEBLB-JCYYIGJDSA-N 0 3 516.594 5.324 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@H]3C2=O)cc1 ZINC000102758458 555050224 /nfs/dbraw/zinc/05/02/24/555050224.db2.gz WYYYTXNFYZOAJH-UODIDJSMSA-N 0 3 519.384 6.613 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)cc1 ZINC000102757870 555050240 /nfs/dbraw/zinc/05/02/40/555050240.db2.gz POVRGIYDCPLPPR-TWJOJJKGSA-N 0 3 519.384 6.613 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102759921 555051755 /nfs/dbraw/zinc/05/17/55/555051755.db2.gz YTBXJCRIBIBBEH-PWRODBHTSA-N 0 3 535.291 5.658 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102760516 555052213 /nfs/dbraw/zinc/05/22/13/555052213.db2.gz JWKRFLWMYGXAHP-MPFGFTFXSA-N 0 3 530.621 5.714 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102761281 555052446 /nfs/dbraw/zinc/05/24/46/555052446.db2.gz TWXMRUSISZIMHZ-YPAWHYETSA-N 0 3 513.775 5.162 50 0 KKAAHN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000102761423 555052750 /nfs/dbraw/zinc/05/27/50/555052750.db2.gz VPHPLBLPSHSMEZ-HHHXNRCGSA-N 0 3 534.682 5.073 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C1=O ZINC000102762183 555053142 /nfs/dbraw/zinc/05/31/42/555053142.db2.gz ATNWEVGNFUJBPF-YPAWHYETSA-N 0 3 502.876 5.598 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102763534 555054181 /nfs/dbraw/zinc/05/41/81/555054181.db2.gz DZRIKHROLQXSLL-PWRODBHTSA-N 0 3 507.295 6.063 50 0 KKAAHN CN(C)[C@H](CN(C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000102773703 555062139 /nfs/dbraw/zinc/06/21/39/555062139.db2.gz SPNBKVUSSNSXEI-NCHCQHTJSA-N 0 3 562.751 5.095 50 0 KKAAHN Cc1cccc(CN2c3cc(C(=O)NCCCN4CCN(C5CCCCC5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787678 555068342 /nfs/dbraw/zinc/06/83/42/555068342.db2.gz BJUJMLYEWZEWKF-CKWSZQMZSA-N 0 3 608.852 6.745 50 0 KKAAHN COc1ccc([C@H](C)N(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000102791403 555068938 /nfs/dbraw/zinc/06/89/38/555068938.db2.gz BGILIDOZSPNEAV-UAZQSIJYSA-N 0 3 577.737 6.108 50 0 KKAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000102839083 555080481 /nfs/dbraw/zinc/08/04/81/555080481.db2.gz GYRPANCBDYEPOZ-GPNASLBKSA-N 0 3 537.729 5.920 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102860579 555090605 /nfs/dbraw/zinc/09/06/05/555090605.db2.gz WIVDQADKGXYRHZ-QHAWAJNXSA-N 0 3 565.862 6.163 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102860571 555090657 /nfs/dbraw/zinc/09/06/57/555090657.db2.gz JTYPFJWUCDYBCH-BHIFYINESA-N 0 3 579.889 6.553 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000102863918 555093567 /nfs/dbraw/zinc/09/35/67/555093567.db2.gz LYACREYTWOSDBD-XPWALMASSA-N 0 3 525.026 5.555 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(I)cc1 ZINC000102868341 555097885 /nfs/dbraw/zinc/09/78/85/555097885.db2.gz QCWDHMZAYZRCDK-QHAWAJNXSA-N 0 3 575.200 5.105 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102885283 555115439 /nfs/dbraw/zinc/11/54/39/555115439.db2.gz GYJZEXAULJKPHL-FCEKVYKBSA-N 0 3 554.986 5.619 50 0 KKAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000102912310 555143259 /nfs/dbraw/zinc/14/32/59/555143259.db2.gz WFPOBVUWSZPAPJ-FDFHNCONSA-N 0 3 502.876 5.419 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000102912306 555143326 /nfs/dbraw/zinc/14/33/26/555143326.db2.gz NVSQTSPYGFBEPW-UODIDJSMSA-N 0 3 530.646 5.472 50 0 KKAAHN CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(CC(=O)NC3CCN(Cc4ccccc4)CC3)=CSC2=N1 ZINC000102940674 555169489 /nfs/dbraw/zinc/16/94/89/555169489.db2.gz KKJRZVJAANAPNF-GDLZYMKVSA-N 0 3 544.721 5.304 50 0 KKAAHN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000102941012 555169844 /nfs/dbraw/zinc/16/98/44/555169844.db2.gz WXOVBUYZTPQMNZ-NDEPHWFRSA-N 0 3 532.710 5.196 50 0 KKAAHN O=C1C2ON(c3cccc(Br)c3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000103025158 555215520 /nfs/dbraw/zinc/21/55/20/555215520.db2.gz DWQJRWLAKZVBOH-PCCBWWKXSA-N 0 3 551.746 6.172 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@@H]([C@@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000103047103 555228744 /nfs/dbraw/zinc/22/87/44/555228744.db2.gz SFFJARIKISDPGV-OQOFHLOUSA-N 0 3 534.660 5.738 50 0 KKAAHN COc1ccc(CC(=O)N2C[C@H](CN3CCN(c4cccc(OC)c4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103052192 555234357 /nfs/dbraw/zinc/23/43/57/555234357.db2.gz ZXXOGPRLYYFKCZ-SETSBSEESA-N 0 3 567.652 5.330 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccsc2)cc1 ZINC000103089745 555268688 /nfs/dbraw/zinc/26/86/88/555268688.db2.gz VXZSKMSCLAVLQN-MUUNZHRXSA-N 0 3 580.179 5.410 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190338 555333191 /nfs/dbraw/zinc/33/31/91/555333191.db2.gz QVRWSQYDIQXACY-VAVYLYDRSA-N 0 3 553.625 5.888 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190347 555333213 /nfs/dbraw/zinc/33/32/13/555333213.db2.gz QVRWSQYDIQXACY-IRPSRAIASA-N 0 3 553.625 5.888 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103219957 555340713 /nfs/dbraw/zinc/34/07/13/555340713.db2.gz OIYUTYASRCXJPF-MXBOTTGLSA-N 0 3 552.656 7.844 50 0 KKAAHN COc1ccc(CN(CCN(C)C)C(=O)c2cccc(F)c2)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103365932 555365865 /nfs/dbraw/zinc/36/58/65/555365865.db2.gz JLMGGXILLNJVAR-UHFFFAOYSA-N 0 3 555.455 5.113 50 0 KKAAHN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccc(Cl)cc1)nn2-c1ccc(C)cc1 ZINC000103371280 555367110 /nfs/dbraw/zinc/36/71/10/555367110.db2.gz JIXDRDSFOAJRDK-WJOKGBTCSA-N 0 3 604.176 5.357 50 0 KKAAHN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)c3cccc(Oc4ccccc4)c3)c3ccccc32)cc1 ZINC000103421181 555401976 /nfs/dbraw/zinc/40/19/76/555401976.db2.gz KCOFFWSIPBRFHL-UMSFTDKQSA-N 0 3 557.738 7.524 50 0 KKAAHN CC(C)N(C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435280 555417701 /nfs/dbraw/zinc/41/77/01/555417701.db2.gz GPYPMTXZOSLUGD-WIOPSUGQSA-N 0 3 534.544 6.889 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000103532580 555432886 /nfs/dbraw/zinc/43/28/86/555432886.db2.gz LNTPTLAVZQVZQM-KCIBBDPESA-N 0 3 546.026 5.900 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@H]([C@@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000169296228 562852444 /nfs/dbraw/zinc/85/24/44/562852444.db2.gz SFFJARIKISDPGV-OKNVFKEHSA-N 0 3 534.660 5.738 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c(OC)c1 ZINC000104784328 571386058 /nfs/dbraw/zinc/38/60/58/571386058.db2.gz WOROXRRIVKNXOH-XPWALMASSA-N 0 3 605.272 5.033 50 0 KKAAHN O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104917612 571387479 /nfs/dbraw/zinc/38/74/79/571387479.db2.gz GEDCOQQPMHRGRC-SHQCIBLASA-N 0 3 511.563 5.067 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105042052 571390238 /nfs/dbraw/zinc/39/02/38/571390238.db2.gz OIYUTYASRCXJPF-HVNZXBJASA-N 0 3 552.656 7.844 50 0 KKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1 ZINC000105046467 571390340 /nfs/dbraw/zinc/39/03/40/571390340.db2.gz GLMDYCBUKYPIDM-FGZHOGPDSA-N 0 3 504.955 6.420 50 0 KKAAHN COc1ccccc1CN1C[C@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105042585 571390349 /nfs/dbraw/zinc/39/03/49/571390349.db2.gz WBRNZEMHVSKXTL-SQHAQQRYSA-N 0 3 528.590 6.620 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000105796837 571408841 /nfs/dbraw/zinc/40/88/41/571408841.db2.gz NJMUSOJLJZIDAC-OYUWMTPXSA-N 0 3 559.405 6.264 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000105796527 571408857 /nfs/dbraw/zinc/40/88/57/571408857.db2.gz SGRUXFBROPZOQY-ZONZVBGPSA-N 0 3 616.411 5.562 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000106015206 571410352 /nfs/dbraw/zinc/41/03/52/571410352.db2.gz JUWJHVJHPZTPOU-UPRLRBBYSA-N 0 3 563.437 7.093 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(F)cc5)o4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000106014633 571410355 /nfs/dbraw/zinc/41/03/55/571410355.db2.gz JODYNDBBHOQHEG-UBFVSLLYSA-N 0 3 604.612 5.470 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106019644 571410644 /nfs/dbraw/zinc/41/06/44/571410644.db2.gz MUNOBNJSMWTBIM-OYTZIAQDSA-N 0 3 564.682 5.991 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@@H]2C1=O ZINC000106019725 571410780 /nfs/dbraw/zinc/41/07/80/571410780.db2.gz ONBXBWJKOBDODI-FDFHNCONSA-N 0 3 552.439 5.565 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000106020897 571410867 /nfs/dbraw/zinc/41/08/67/571410867.db2.gz KNTBAPSEJMDMLH-GMQQYTKMSA-N 0 3 561.015 5.159 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000106021169 571410949 /nfs/dbraw/zinc/41/09/49/571410949.db2.gz GWKJFVPKSTWKQX-IDZRBWSNSA-N 0 3 582.584 5.503 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000108473056 571425873 /nfs/dbraw/zinc/42/58/73/571425873.db2.gz XVZJUSYOQZVBQP-OZFFBDCXSA-N 0 3 620.882 7.184 50 0 KKAAHN Clc1ccc2c(c1)C[C@H](S[C@@H](CCN1CCN(Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800588 571426609 /nfs/dbraw/zinc/42/66/09/571426609.db2.gz FRNBINOLPGJIEE-TWJUONSBSA-N 0 3 571.255 8.771 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000136347783 571449373 /nfs/dbraw/zinc/44/93/73/571449373.db2.gz LDFOLHSLSBNNIK-RJGXRXQPSA-N 0 3 516.903 5.809 50 0 KKAAHN Cc1ccc(Oc2ccc(CN3CCC(C(O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)CC3)cc2)nc1 ZINC000136635088 571449610 /nfs/dbraw/zinc/44/96/10/571449610.db2.gz RIKIDKPECTYJDN-UHFFFAOYSA-N 0 3 600.603 8.368 50 0 KKAAHN CC(C)OC(=O)Nc1cccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000136997993 571449953 /nfs/dbraw/zinc/44/99/53/571449953.db2.gz UZURRSUNLWSMMY-UHFFFAOYSA-N 0 3 626.594 7.589 50 0 KKAAHN CCOC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000137016014 571449963 /nfs/dbraw/zinc/44/99/63/571449963.db2.gz LMDBVQNDXHHSPU-UHFFFAOYSA-N 0 3 612.567 7.200 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137813247 571450679 /nfs/dbraw/zinc/45/06/79/571450679.db2.gz QYSPWHCQALCUAM-ISJGIBHGSA-N 0 3 505.357 6.305 50 0 KKAAHN CN(C)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000138672610 571451810 /nfs/dbraw/zinc/45/18/10/571451810.db2.gz ULTDZXNXCGCCHO-RJGXRXQPSA-N 0 3 515.919 5.476 50 0 KKAAHN CCCC[C@@H]1Oc2ccccc2[C@@H]1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000150339762 571457616 /nfs/dbraw/zinc/45/76/16/571457616.db2.gz YOBBAFJNSYRSGE-GOTSBHOMSA-N 0 3 647.335 6.534 50 0 KKAAHN O=C(Oc1ccc(C([O-])=C(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000150362590 571463980 /nfs/dbraw/zinc/46/39/80/571463980.db2.gz VRTHGOXJQXSJGT-HKBQPEDESA-N 0 3 747.241 10.895 50 0 KKAAHN O=C(Oc1ccc(C(=O)C(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000150362590 571463984 /nfs/dbraw/zinc/46/39/84/571463984.db2.gz VRTHGOXJQXSJGT-HKBQPEDESA-N 0 3 747.241 10.895 50 0 KKAAHN CC(C)CN(Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389003 571471394 /nfs/dbraw/zinc/47/13/94/571471394.db2.gz GYSYWKLTBMTNFG-UHFFFAOYSA-N 0 3 658.157 9.888 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389072 571471455 /nfs/dbraw/zinc/47/14/55/571471455.db2.gz KNYHEGRGNUUSRX-UHFFFAOYSA-N 0 3 699.763 8.916 50 0 KKAAHN COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1OC ZINC000150389229 571471665 /nfs/dbraw/zinc/47/16/65/571471665.db2.gz NZJXUIWBSMUQBF-OQLLNIDSSA-N 0 3 702.166 9.316 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389240 571471668 /nfs/dbraw/zinc/47/16/68/571471668.db2.gz PUAYBQMBUXOMCT-PXLXIMEGSA-N 0 3 691.831 10.587 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389196 571471709 /nfs/dbraw/zinc/47/17/09/571471709.db2.gz NOQZIOFBCRDCJJ-OVCLIPMQSA-N 0 3 676.559 9.952 50 0 KKAAHN CCOC1=NN(c2ccc(NC(=O)COc3ccc(C(C)(C)CC)cc3C(C)(C)CC)cc2)C(=O)C1Sc1nnnn1-c1ccccc1 ZINC000150390427 571472767 /nfs/dbraw/zinc/47/27/67/571472767.db2.gz LHJWGDNBXPSCKP-WJOKGBTCSA-N 0 3 669.852 6.913 50 0 KKAAHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(Cc2ccccc2)C3)cc1 ZINC000150440839 571498179 /nfs/dbraw/zinc/49/81/79/571498179.db2.gz HYDJBGSTMKLXRP-UHFFFAOYSA-N 0 3 644.888 7.646 50 0 KKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2c(Br)cc(Br)cc2Br)c1 ZINC000150463024 571507042 /nfs/dbraw/zinc/50/70/42/571507042.db2.gz IIEZYEINZDLLTM-XMMPIXPASA-N 0 3 651.193 7.287 50 0 biogenic KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000150596596 571522402 /nfs/dbraw/zinc/52/24/02/571522402.db2.gz XBNVUWBMHHIFIC-WHMAPKLYSA-N 0 3 690.807 7.774 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000150610312 571523034 /nfs/dbraw/zinc/52/30/34/571523034.db2.gz AZLDHAXKHQJGGK-NQVJXQQZSA-N 0 3 673.824 7.823 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150616924 571523278 /nfs/dbraw/zinc/52/32/78/571523278.db2.gz XFDMPGBBAKVYPR-KUFVUHJUSA-N 0 3 648.852 5.970 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000150643548 571524819 /nfs/dbraw/zinc/52/48/19/571524819.db2.gz ZMYVMODGCFGRFU-MFACQUFMSA-N 0 3 672.836 8.682 50 0 KKAAHN COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1 ZINC000164334830 571545883 /nfs/dbraw/zinc/54/58/83/571545883.db2.gz WLAVZAAODLTUSW-UHFFFAOYSA-N 0 3 629.689 6.522 50 0 KKAAHN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000169677738 571555330 /nfs/dbraw/zinc/55/53/30/571555330.db2.gz FQTVRXMMHLCPII-VPUSJEBWSA-N 0 3 511.563 5.067 50 0 KKAAHN COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@@H]23)cc1 ZINC000169678767 571555877 /nfs/dbraw/zinc/55/58/77/571555877.db2.gz SNBZYKGSARCDRH-VPUSJEBWSA-N 0 3 509.572 5.258 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679824 571556540 /nfs/dbraw/zinc/55/65/40/571556540.db2.gz WAVLQOGKLZLFIK-NAKRPHOHSA-N 0 3 542.617 6.867 50 0 KKAAHN CC[C@H](C(=O)N1C[C@@H](CN2CCN(c3cccc(OC)c3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000169681707 571557533 /nfs/dbraw/zinc/55/75/33/571557533.db2.gz IPSDASVBSOCDAK-SATCGAIXSA-N 0 3 565.680 6.272 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1 ZINC000169695539 571558850 /nfs/dbraw/zinc/55/88/50/571558850.db2.gz WOROXRRIVKNXOH-RJGXRXQPSA-N 0 3 605.272 5.033 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1 ZINC000169695539 571558852 /nfs/dbraw/zinc/55/88/52/571558852.db2.gz WOROXRRIVKNXOH-RJGXRXQPSA-N 0 3 605.272 5.033 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226813848 572142022 /nfs/dbraw/zinc/14/20/22/572142022.db2.gz JWKRFLWMYGXAHP-ZGIBFIJWSA-N 0 3 530.621 5.714 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226823939 572142856 /nfs/dbraw/zinc/14/28/56/572142856.db2.gz VMRLDZUTROYXCR-UPRLRBBYSA-N 0 3 516.594 5.324 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226917637 572145344 /nfs/dbraw/zinc/14/53/44/572145344.db2.gz AXWGVJBZYGTVMO-ZGIBFIJWSA-N 0 3 534.568 5.274 50 0 KKAAHN O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226983127 572146732 /nfs/dbraw/zinc/14/67/32/572146732.db2.gz HYVPREUZPFQWON-NJDAHSKKSA-N 0 3 582.863 5.366 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227241845 572152144 /nfs/dbraw/zinc/15/21/44/572152144.db2.gz DCSMQSUQPJLMAR-UPRLRBBYSA-N 0 3 607.421 6.411 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000227245327 572152739 /nfs/dbraw/zinc/15/27/39/572152739.db2.gz UXFKNZYGKMLBPR-OWHBQTKESA-N 0 3 564.638 6.114 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000229823500 572160038 /nfs/dbraw/zinc/16/00/38/572160038.db2.gz IOJSFOKYYCHIOW-XYZQIWJFSA-N 0 3 656.864 7.531 50 0 biogenic KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)cc1Br ZINC000229859273 572161551 /nfs/dbraw/zinc/16/15/51/572161551.db2.gz BVPTWCNALFELOH-WPQKMFINSA-N 0 3 595.449 5.907 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229865399 572162353 /nfs/dbraw/zinc/16/23/53/572162353.db2.gz JSTBIZGEHTYPEI-OYUWMTPXSA-N 0 3 595.460 5.812 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000229902429 572168009 /nfs/dbraw/zinc/16/80/09/572168009.db2.gz BHAUNPDRZCCCNU-TXQUNOLYSA-N 0 3 531.439 6.254 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000229968006 572174603 /nfs/dbraw/zinc/17/46/03/572174603.db2.gz XTRNVABMZXBDQI-YTFSRNRJSA-N 0 3 557.455 5.771 50 0 KKAAHN CCCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000229962004 572174632 /nfs/dbraw/zinc/17/46/32/572174632.db2.gz NWLXEDGWYHCHDE-UPRLRBBYSA-N 0 3 516.594 5.411 50 0 KKAAHN CCCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000229962004 572174635 /nfs/dbraw/zinc/17/46/35/572174635.db2.gz NWLXEDGWYHCHDE-UPRLRBBYSA-N 0 3 516.594 5.411 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C1=O ZINC000229984410 572176483 /nfs/dbraw/zinc/17/64/83/572176483.db2.gz XECHRCZXJANQFM-RBZQAINGSA-N 0 3 504.373 5.901 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(Br)ccc4OC)[C@@H]3C2=O)cc1 ZINC000230034525 572180688 /nfs/dbraw/zinc/18/06/88/572180688.db2.gz SCCKIMDCSYGQJK-ISJGIBHGSA-N 0 3 537.410 5.298 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000230032827 572180736 /nfs/dbraw/zinc/18/07/36/572180736.db2.gz YLUNISOTQNJPEO-RBZQAINGSA-N 0 3 525.374 5.428 50 0 KKAAHN COc1ccc(/C=C2\CN(Cc3ccccc3)C[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000230042046 572180998 /nfs/dbraw/zinc/18/09/98/572180998.db2.gz ZGMYKCLMCYAYHD-IWLRSKOSSA-N 0 3 515.657 6.837 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228531 572205255 /nfs/dbraw/zinc/20/52/55/572205255.db2.gz JGNGLITYQVEAHL-QHZFHHJPSA-N 0 3 570.803 5.997 50 0 KKAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2ccccc2F)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239927 572213474 /nfs/dbraw/zinc/21/34/74/572213474.db2.gz HHHGQMKDPJLJQV-QNNAYCHJSA-N 0 3 515.544 5.077 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239905 572213589 /nfs/dbraw/zinc/21/35/89/572213589.db2.gz GXIJCBIMSSQPFG-ALBQUZEBSA-N 0 3 537.040 6.258 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000245245206 572217321 /nfs/dbraw/zinc/21/73/21/572217321.db2.gz BWEQFPMJXCVAOS-XTQYNZLPSA-N 0 3 559.493 6.972 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245309139 572227064 /nfs/dbraw/zinc/22/70/64/572227064.db2.gz BOVVKZHOTIIIKU-SSBOKUKZSA-N 0 3 534.568 5.356 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000245309774 572227518 /nfs/dbraw/zinc/22/75/18/572227518.db2.gz GFWSHDWZDDBACX-ALBQUZEBSA-N 0 3 517.610 5.389 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245310077 572228069 /nfs/dbraw/zinc/22/80/69/572228069.db2.gz HFRUBRGONLVFPZ-OLBUMSFYSA-N 0 3 539.635 5.945 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245310384 572228140 /nfs/dbraw/zinc/22/81/40/572228140.db2.gz IPYLSQHNZKETOM-DYIKCSJPSA-N 0 3 548.595 5.746 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000245312843 572230334 /nfs/dbraw/zinc/23/03/34/572230334.db2.gz XVOPXTZPMAYANC-JCYYIGJDSA-N 0 3 504.542 5.265 50 0 KKAAHN CC(C)N(C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245326633 572232936 /nfs/dbraw/zinc/23/29/36/572232936.db2.gz GPYPMTXZOSLUGD-DHLKQENFSA-N 0 3 534.544 6.889 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000245343420 572238446 /nfs/dbraw/zinc/23/84/46/572238446.db2.gz OIYUTYASRCXJPF-SUYBVONHSA-N 0 3 552.656 7.844 50 0 KKAAHN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247846343 572246052 /nfs/dbraw/zinc/24/60/52/572246052.db2.gz HGLZNIXDIKSBFG-PMERELPUSA-N 0 3 648.649 6.934 50 0 KKAAHN COc1ccc(C(O)=C2C(C(=O)Nc3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000247944937 572250259 /nfs/dbraw/zinc/25/02/59/572250259.db2.gz YUDJOXKWGWQRIQ-ZPNDBRHUSA-N 0 3 571.633 5.316 50 0 KKAAHN Cc1ccc(C(=O)N(C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000248074479 572253112 /nfs/dbraw/zinc/25/31/12/572253112.db2.gz AVKSALOHMDYIGJ-LSYYVWMOSA-N 0 3 512.591 6.919 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248100850 572253660 /nfs/dbraw/zinc/25/36/60/572253660.db2.gz PBHKFLMPTSNKMG-BHBYDHKZSA-N 0 3 534.666 7.705 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000248178355 572256445 /nfs/dbraw/zinc/25/64/45/572256445.db2.gz BVPTWCNALFELOH-QNNAYCHJSA-N 0 3 595.449 5.907 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248242490 572256863 /nfs/dbraw/zinc/25/68/63/572256863.db2.gz FNDYDIKFWGWYQF-ZQOCDUSVSA-N 0 3 536.628 5.292 50 0 KKAAHN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@H]3CCC[C@@H]3N3CCN(C)CC3)cc2)CC1 ZINC000252512218 572262016 /nfs/dbraw/zinc/26/20/16/572262016.db2.gz ODKQFULXUUADEW-CJBSCAABSA-N 0 3 510.122 5.686 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000253381938 572282478 /nfs/dbraw/zinc/28/24/78/572282478.db2.gz GKISSFMKIWYFDS-AQWTWLKTSA-N 0 3 517.412 5.864 50 0 KKAAHN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253388972 572283145 /nfs/dbraw/zinc/28/31/45/572283145.db2.gz JPOOTSDVFNVPJE-KPURRNSFSA-N 0 3 501.696 5.021 50 0 KKAAHN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253612758 572301260 /nfs/dbraw/zinc/30/12/60/572301260.db2.gz UVVRCAOQNORAME-HJJVXDOZSA-N 0 3 525.862 8.816 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1ccc(C(F)(F)F)cc1 ZINC000101889995 1069822634 /nfs/dbraw/zinc/82/26/34/1069822634.db2.gz JUKWQPQHTRJFFY-ABYGYWHVSA-N 0 3 583.674 5.349 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cncs2)c1)Cc1cccc2cccnc21 ZINC000012219024 1071239477 /nfs/dbraw/zinc/23/94/77/1071239477.db2.gz IACHRYYGUZIACD-RUZDIDTESA-N 0 3 500.668 5.787 50 0 KKAAHN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(Br)cc2)cc1 ZINC000001100719 551608669 /nfs/dbraw/zinc/60/86/69/551608669.db2.gz ZQXSEUNMRRKKLC-NXCFDTQHSA-N 0 3 557.400 5.440 50 0 KKAAHN Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2cccc(C)c2)cc1 ZINC000001819892 551708739 /nfs/dbraw/zinc/70/87/39/551708739.db2.gz HIDNBNMCAVYJQC-PMERELPUSA-N 0 3 514.691 5.562 50 0 KKAAHN COc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000001833326 551711953 /nfs/dbraw/zinc/71/19/53/551711953.db2.gz LLVJDDOWYQDYQP-WJOKGBTCSA-N 0 3 569.499 7.332 50 0 biogenic KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000001899303 551729995 /nfs/dbraw/zinc/72/99/95/551729995.db2.gz UJKPEIUPKIPDQJ-RWSKJCERSA-N 0 3 562.622 6.136 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000001901221 551731061 /nfs/dbraw/zinc/73/10/61/551731061.db2.gz DSEIGPOPWRCJTQ-UUQNIDNHSA-N 0 3 599.539 7.610 50 0 KKAAHN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(CN5CCC(Cc6ccccc6)CC5)cc4)cc3)sc2c1 ZINC000002076334 551750203 /nfs/dbraw/zinc/75/02/03/551750203.db2.gz ARIRELGSCCVOGI-UHFFFAOYSA-N 0 3 531.725 7.979 50 0 KKAAHN CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N32)cc1 ZINC000002093860 551760087 /nfs/dbraw/zinc/76/00/87/551760087.db2.gz KHVNMXCEWAZZBH-VBTAUBHQSA-N 0 3 546.715 5.641 50 0 biogenic KKAAHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000002193220 551791294 /nfs/dbraw/zinc/79/12/94/551791294.db2.gz ZEHAEZWSKQHRID-SANMLTNESA-N 0 3 568.488 7.708 50 0 KKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Oc3ccc4ccccc4c3CN3CCCCC3)cc12 ZINC000002643619 552144024 /nfs/dbraw/zinc/14/40/24/552144024.db2.gz QWBYHKZOSIMYMT-UHFFFAOYSA-N 0 3 516.066 7.407 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968775 552242273 /nfs/dbraw/zinc/24/22/73/552242273.db2.gz YZAVWQXWIXVQOE-DQEYMECFSA-N 0 3 574.106 5.198 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054276 552279567 /nfs/dbraw/zinc/27/95/67/552279567.db2.gz RDZHWCRXAAHKQC-OAQYLSRUSA-N 0 3 506.071 5.866 50 0 KKAAHN CN(CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)CCc1ccccc1 ZINC000003054764 552279969 /nfs/dbraw/zinc/27/99/69/552279969.db2.gz OVABVIKSAZHEDX-LGUFXXKBSA-N 0 3 550.522 5.220 50 0 KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003063530 552284121 /nfs/dbraw/zinc/28/41/21/552284121.db2.gz XBHCKORLWPJFMT-UHFFFAOYSA-N 0 3 554.112 5.185 50 0 KKAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003064293 552284379 /nfs/dbraw/zinc/28/43/79/552284379.db2.gz USZLHPFXKRZXHI-STKMKYKTSA-N 0 3 577.725 6.684 50 0 KKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)cc1 ZINC000003217667 552308402 /nfs/dbraw/zinc/30/84/02/552308402.db2.gz IGKUMILQIKEDJR-UHFFFAOYSA-N 0 3 517.629 6.806 50 0 KKAAHN CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000003589141 552392028 /nfs/dbraw/zinc/39/20/28/552392028.db2.gz UTBIIWPEQCTBRD-OVVQPSECSA-N 0 3 518.082 5.844 50 0 KKAAHN COc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000004122192 552440184 /nfs/dbraw/zinc/44/01/84/552440184.db2.gz ARVVXLHBKVNWOA-UHFFFAOYSA-N 0 3 542.079 6.502 50 0 KKAAHN O=C(CN(C1CCCCC1)C1CCCCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(C3CCCCC3)C3CCCCC3)cc2)cc1 ZINC000004783176 552481904 /nfs/dbraw/zinc/48/19/04/552481904.db2.gz JQYJJPSTWWRURQ-UHFFFAOYSA-N 0 3 690.995 8.331 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000006142208 552543476 /nfs/dbraw/zinc/54/34/76/552543476.db2.gz FWUSQWTUKCTQJP-QHAWAJNXSA-N 0 3 517.301 5.519 50 0 KKAAHN Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166888 552557489 /nfs/dbraw/zinc/55/74/89/552557489.db2.gz YRMQRPPHWICIDV-GHRIWEEISA-N 0 3 635.723 9.262 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166885 552557537 /nfs/dbraw/zinc/55/75/37/552557537.db2.gz OYPDKRAZELTQSW-HMMYKYKNSA-N 0 3 635.723 9.289 50 0 KKAAHN CCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000008396636 552995540 /nfs/dbraw/zinc/99/55/40/552995540.db2.gz BTCNXYNOSGRPDI-NSOVKSMOSA-N 0 3 524.746 6.246 50 0 KKAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000008437122 553031281 /nfs/dbraw/zinc/03/12/81/553031281.db2.gz WFPOBVUWSZPAPJ-FKBYEOEOSA-N 0 3 502.876 5.419 50 0 KKAAHN CCN(CC)CC(=O)Nc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(NC(=O)CN(CC)CC)cc1C(c1ccccc1)=N2 ZINC000008445569 553054489 /nfs/dbraw/zinc/05/44/89/553054489.db2.gz LAUZCPKQBUPOML-UHFFFAOYSA-N 0 3 614.794 6.899 50 0 KKAAHN OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000008448291 553055776 /nfs/dbraw/zinc/05/57/76/553055776.db2.gz LAQZFWDSIDHJER-UHFFFAOYSA-N 0 3 563.582 7.661 50 0 KKAAHN O=C(NCCN1CCCCC1)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000008606344 553098261 /nfs/dbraw/zinc/09/82/61/553098261.db2.gz OBXUCWYYFUNNNT-UHFFFAOYSA-N 0 3 503.647 5.127 50 0 KKAAHN CCOc1ccccc1CN1CCC(CNC(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)CC1 ZINC000008811922 553149328 /nfs/dbraw/zinc/14/93/28/553149328.db2.gz JEXFRVNZSXNSGB-UHFFFAOYSA-N 0 3 531.722 6.145 50 0 KKAAHN CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN(C)C(C)C)cc1OCC ZINC000008817899 553153147 /nfs/dbraw/zinc/15/31/47/553153147.db2.gz YLHJZWGLPWCDJK-RUZDIDTESA-N 0 3 512.691 5.290 50 0 biogenic KKAAHN COc1ccc(C(=O)[C@@H](C[C@@H](CN2CCCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCCC2)cc1 ZINC000008926062 553190952 /nfs/dbraw/zinc/19/09/52/553190952.db2.gz BVUMFDFVOZVFKR-VMPREFPWSA-N 0 3 534.741 6.144 50 0 KKAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2ccccc2F)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009015656 553200360 /nfs/dbraw/zinc/20/03/60/553200360.db2.gz HHHGQMKDPJLJQV-CKXMCULTSA-N 0 3 515.544 5.077 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000009089642 553209177 /nfs/dbraw/zinc/20/91/77/553209177.db2.gz GKISSFMKIWYFDS-YIPGRGJBSA-N 0 3 517.412 5.864 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(N(C)C)cc1)c1c3nc(-c4ccncc4)nn3cnc1O2 ZINC000009187863 553218042 /nfs/dbraw/zinc/21/80/42/553218042.db2.gz FVHBEHQFGCWIAM-XMMPIXPASA-N 0 3 500.566 5.032 50 0 KKAAHN Cc1ccc(-n2ncc(C(=O)NCCN3CCCCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000009227905 553222602 /nfs/dbraw/zinc/22/26/02/553222602.db2.gz SKLZDSMJOKRKJM-UHFFFAOYSA-N 0 3 523.722 5.209 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009235510 553225388 /nfs/dbraw/zinc/22/53/88/553225388.db2.gz XFSUGYGOOWZZBR-XHHBKWMTSA-N 0 3 508.624 5.666 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433568 553263313 /nfs/dbraw/zinc/26/33/13/553263313.db2.gz DREGXDDIMRKLTI-FQLXRVMXSA-N 0 3 513.707 5.752 50 0 KKAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433692 553263334 /nfs/dbraw/zinc/26/33/34/553263334.db2.gz HPUUZLKCBMJUKJ-WDYNHAJCSA-N 0 3 531.722 6.125 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3nc3c2CCCC3)cc1OC ZINC000009777094 553306459 /nfs/dbraw/zinc/30/64/59/553306459.db2.gz PVRUOXMSBKLFCD-UHFFFAOYSA-N 0 3 513.594 6.144 50 0 KKAAHN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000009781788 553308206 /nfs/dbraw/zinc/30/82/06/553308206.db2.gz LTIGBEPXXOGOFS-DEOSSOPVSA-N 0 3 500.639 5.020 50 0 KKAAHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC000009805953 553308683 /nfs/dbraw/zinc/30/86/83/553308683.db2.gz WYYJLXYWZVUTOV-UHFFFAOYSA-N 0 3 513.682 5.225 50 0 KKAAHN Cn1c(SC[C@@H]2CCCO2)nnc1C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000012037774 553350365 /nfs/dbraw/zinc/35/03/65/553350365.db2.gz GTARKFYAOJRJNH-SANMLTNESA-N 0 3 514.699 5.319 50 0 KKAAHN COc1cc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@H](C)C2)cc(OC)c1 ZINC000012160911 553352965 /nfs/dbraw/zinc/35/29/65/553352965.db2.gz KRJCZDPVYAAWCR-NRFANRHFSA-N 0 3 532.637 5.027 50 0 KKAAHN COc1cccc(CCNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@H](C)C2)c1 ZINC000012513600 553382550 /nfs/dbraw/zinc/38/25/50/553382550.db2.gz UQQCYVSBACLNDG-QFIPXVFZSA-N 0 3 516.638 5.061 50 0 KKAAHN COc1cc(/C=C(/C(=O)N(C)C2CCN(C)CC2)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000012582661 553399482 /nfs/dbraw/zinc/39/94/82/553399482.db2.gz BDOHKFTUXJTUCO-ZXVVBBHZSA-N 0 3 500.639 5.473 50 0 KKAAHN COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C2CCN(Cc3ccccc3)CC2)CO4)cc1OC ZINC000013685167 553485078 /nfs/dbraw/zinc/48/50/78/553485078.db2.gz ZSCMFZRISPQIES-UHFFFAOYSA-N 0 3 512.606 5.294 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013757500 553488275 /nfs/dbraw/zinc/48/82/75/553488275.db2.gz RLCNXIWLOUMWJM-SFHLNBCPSA-N 0 3 508.188 6.351 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013758674 553488585 /nfs/dbraw/zinc/48/85/85/553488585.db2.gz QYSPWHCQALCUAM-DSNGMDLFSA-N 0 3 505.357 6.305 50 0 KKAAHN Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)NCCN2CCCC2)cc1 ZINC000013842923 553493055 /nfs/dbraw/zinc/49/30/55/553493055.db2.gz NKXOBFDWFRUORD-WJOKGBTCSA-N 0 3 506.650 5.291 50 0 KKAAHN CCCN(C)c1cc(Cl)nc(SCc2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)n1 ZINC000016570327 553567761 /nfs/dbraw/zinc/56/77/61/553567761.db2.gz IXSZJPNRHVXYNW-UHFFFAOYSA-N 0 3 524.134 5.663 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000017721048 553599339 /nfs/dbraw/zinc/59/93/39/553599339.db2.gz OATLEPQUFIVYPC-BDTNDASRSA-N 0 3 513.775 5.162 50 0 KKAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc4ccccc43)N12 ZINC000070686494 553605313 /nfs/dbraw/zinc/60/53/13/553605313.db2.gz MBDHERZCJMVDLD-SHUZPENHSA-N 0 3 554.694 5.671 50 0 biogenic KKAAHN Cc1ccc2c(c1C)NC(=O)[C@]21N2CCC[C@H]2C(C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700157 553618010 /nfs/dbraw/zinc/61/80/10/553618010.db2.gz QKXWOBPJMKIGES-JDPWCRRISA-N 0 3 517.585 5.064 50 0 biogenic KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000020242602 553627557 /nfs/dbraw/zinc/62/75/57/553627557.db2.gz ANXXMCDEUUKTMT-QNGWXLTQSA-N 0 3 521.658 5.005 50 0 KKAAHN O=C1C[C@@H](c2ccccc2Oc2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020405897 553645969 /nfs/dbraw/zinc/64/59/69/553645969.db2.gz XCXCTADEDYBQGZ-DXXRHUJXSA-N 0 3 512.997 5.094 50 0 KKAAHN COc1ccc(CCN2C(=O)C(CC(=O)Nc3cccc(C(F)(F)F)c3)n3c4ccccc4nc32)cc1 ZINC000019962219 553649409 /nfs/dbraw/zinc/64/94/09/553649409.db2.gz YRKBNCOWJLVZMJ-QHCPKHFHSA-N 0 3 508.500 5.223 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508479 553668028 /nfs/dbraw/zinc/66/80/28/553668028.db2.gz XOMYJDZULCAASN-URLMMPGGSA-N 0 3 530.738 5.461 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000079204460 553669847 /nfs/dbraw/zinc/66/98/47/553669847.db2.gz IOJSFOKYYCHIOW-XJYNGCMMSA-N 0 3 656.864 7.531 50 0 biogenic KKAAHN O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000020727654 553690614 /nfs/dbraw/zinc/69/06/14/553690614.db2.gz VHTSBFUHUDUWJQ-BWAHOGKJSA-N 0 3 529.628 5.662 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@@H](O)CC2c3ccccc3-c3ccccc32)CC1 ZINC000020790575 553698105 /nfs/dbraw/zinc/69/81/05/553698105.db2.gz GJHFZSLUXJCFOI-IZZNHLLZSA-N 0 3 531.700 5.337 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)N[C@H](c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 ZINC000095719274 553709807 /nfs/dbraw/zinc/70/98/07/553709807.db2.gz YZHCZWLUIAZWEZ-RAVGUYNFSA-N 0 3 526.023 8.397 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)N1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000021486925 553709955 /nfs/dbraw/zinc/70/99/55/553709955.db2.gz RMJFSURTHRYTEK-LQFQNGICSA-N 0 3 524.712 7.763 50 0 KKAAHN CCOc1ccc(C(=O)[C@H](C[C@H](CN2CCCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCCC2)cc1 ZINC000095721561 553710108 /nfs/dbraw/zinc/71/01/08/553710108.db2.gz CHGIQXRICGGUOO-FIRIVFDPSA-N 0 3 562.795 6.924 50 0 KKAAHN O[C@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@H](O)C[C@@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000095742833 553712398 /nfs/dbraw/zinc/71/23/98/553712398.db2.gz NFKZAYGAZSLISU-DSRMTXSPSA-N 0 3 767.400 8.019 50 0 KKAAHN c1nn(-c2ccccc2)c2nc(N3CCCCC3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000022064288 553725467 /nfs/dbraw/zinc/72/54/67/553725467.db2.gz ZUXDHJBBPQGEPU-UHFFFAOYSA-N 0 3 529.692 5.717 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189815 553727109 /nfs/dbraw/zinc/72/71/09/553727109.db2.gz ZBOLDFALAJJQAG-ZUKKLESISA-N 0 3 510.081 6.216 50 0 KKAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000096277399 553734341 /nfs/dbraw/zinc/73/43/41/553734341.db2.gz WYDPIKXBPLLKDX-NDEPHWFRSA-N 0 3 525.693 5.749 50 0 KKAAHN Fc1ccc(C(CCCN2CCN([C@@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)c2ccc(F)cc2)cc1 ZINC000022789222 553750246 /nfs/dbraw/zinc/75/02/46/553750246.db2.gz BVGXOPYFUSODAF-JGCGQSQUSA-N 0 3 611.148 8.875 50 0 KKAAHN Clc1ccc2nc(CCc3ccccc3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000096592658 553756424 /nfs/dbraw/zinc/75/64/24/553756424.db2.gz CRJCIHXNBFZEMV-UHFFFAOYSA-N 0 3 519.092 6.980 50 0 KKAAHN Cc1ccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097949335 553801452 /nfs/dbraw/zinc/80/14/52/553801452.db2.gz YNRAHMUQRJVHBM-UHFFFAOYSA-N 0 3 544.537 6.699 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000097952456 553816017 /nfs/dbraw/zinc/81/60/17/553816017.db2.gz GWPAFWXSQKUICE-QHAWAJNXSA-N 0 3 528.200 5.263 50 0 KKAAHN Clc1ccc2c(c1)nccc2N1CCN(CCCN2CCN(c3ccnc4cc(Cl)ccc43)CC2)CC1 ZINC000026251015 553818222 /nfs/dbraw/zinc/81/82/22/553818222.db2.gz UCRHFBCYFMIWHC-UHFFFAOYSA-N 0 3 535.523 5.424 50 0 world KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000097954098 553821348 /nfs/dbraw/zinc/82/13/48/553821348.db2.gz UUVNEGGURRLIHJ-UBFVSLLYSA-N 0 3 539.802 6.958 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000097954826 553825710 /nfs/dbraw/zinc/82/57/10/553825710.db2.gz HURXEWHQARGWKH-YPKYBTACSA-N 0 3 536.628 6.469 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000097954806 553825761 /nfs/dbraw/zinc/82/57/61/553825761.db2.gz XAOMMBHBNKOFIG-QHAWAJNXSA-N 0 3 517.301 5.519 50 0 KKAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5cccc(Br)c5)ccc4n3C)CC2)cc1 ZINC000097955868 553834728 /nfs/dbraw/zinc/83/47/28/553834728.db2.gz PPPKFHCQJPZHJS-UHFFFAOYSA-N 0 3 532.486 5.261 50 0 KKAAHN Cc1ccc(N2CCN(C[C@@H](O)Cn3c4ccc(C)cc4c(-c4ccccc4)c3-c3ccccc3)CC2)cc1 ZINC000028464551 553842628 /nfs/dbraw/zinc/84/26/28/553842628.db2.gz DVVPMGSHVZDXFX-WJOKGBTCSA-N 0 3 515.701 6.775 50 0 KKAAHN CCCCN[C@H](c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000097966192 553907351 /nfs/dbraw/zinc/90/73/51/553907351.db2.gz KTQKWBQWIXXNAY-DEOSSOPVSA-N 0 3 552.538 7.245 50 0 KKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000033356384 553941100 /nfs/dbraw/zinc/94/11/00/553941100.db2.gz SSIWQYDGHCDJNT-UHFFFAOYSA-N 0 3 602.091 5.290 50 0 KKAAHN CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(CN2CCCC2)c1 ZINC000097973076 553968160 /nfs/dbraw/zinc/96/81/60/553968160.db2.gz CLTWNWVTOBHGEJ-QPPIDDCLSA-N 0 3 589.820 8.985 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671717 553982404 /nfs/dbraw/zinc/98/24/04/553982404.db2.gz UABWLVIVSKWJTJ-CZNDPXEESA-N 0 3 522.664 6.756 50 0 KKAAHN O=C(Nc1ccc(N2CCCN(Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccc(F)cc1F ZINC000034681905 553985712 /nfs/dbraw/zinc/98/57/12/553985712.db2.gz JICKEWVLGQWGPA-UHFFFAOYSA-N 0 3 514.576 6.117 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699126 553991766 /nfs/dbraw/zinc/99/17/66/553991766.db2.gz ROTDXEFQIGLLJT-BKMJKUGQSA-N 0 3 501.568 6.187 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698883 553992096 /nfs/dbraw/zinc/99/20/96/553992096.db2.gz PBHKFLMPTSNKMG-OFSOJUDTSA-N 0 3 534.666 7.705 50 0 KKAAHN CC(C)N(C[C@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699157 553992351 /nfs/dbraw/zinc/99/23/51/553992351.db2.gz BANXZYFKGPGFNK-ATIYNZHBSA-N 0 3 501.568 5.949 50 0 KKAAHN FC(F)(F)c1ccc(CN2CCCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)CC2)cc1 ZINC000034707936 553993909 /nfs/dbraw/zinc/99/39/09/553993909.db2.gz MHCKDVWWYMACSN-UHFFFAOYSA-N 0 3 516.571 5.599 50 0 KKAAHN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005991 554060253 /nfs/dbraw/zinc/06/02/53/554060253.db2.gz KMHYZAIQYYMDLL-UAASXKLPSA-N 0 3 543.634 5.279 50 0 KKAAHN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006284 554061027 /nfs/dbraw/zinc/06/10/27/554061027.db2.gz AYVCODBACZNFIJ-SVYKXHSXSA-N 0 3 573.660 5.287 50 0 KKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000098008271 554067183 /nfs/dbraw/zinc/06/71/83/554067183.db2.gz UBUGFDQTDHKARO-BDTNDASRSA-N 0 3 531.328 5.827 50 0 KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H](c2ccc(F)cc2F)SCC1=O ZINC000098011074 554077163 /nfs/dbraw/zinc/07/71/63/554077163.db2.gz XQAKYQDCKISMPS-LJAQVGFWSA-N 0 3 596.103 5.318 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000035851520 554083601 /nfs/dbraw/zinc/08/36/01/554083601.db2.gz ROJJJJLQDMZZCG-NJDAHSKKSA-N 0 3 507.295 6.063 50 0 KKAAHN COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@H]23)c1 ZINC000035871975 554086572 /nfs/dbraw/zinc/08/65/72/554086572.db2.gz YAFRJORLWKGUDR-XNMGPUDCSA-N 0 3 509.572 5.258 50 0 KKAAHN CCc1cccc2c([C@H](CC(=O)NC3CCN(Cc4ccccc4)CC3)c3ccc(F)cc3F)c[nH]c21 ZINC000035910546 554094478 /nfs/dbraw/zinc/09/44/78/554094478.db2.gz NXNCWZHJMBVSLA-HHHXNRCGSA-N 0 3 501.621 6.311 50 0 KKAAHN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000035927816 554101228 /nfs/dbraw/zinc/10/12/28/554101228.db2.gz OWHNPIVVMRUNKX-UHFFFAOYSA-N 0 3 506.629 5.566 50 0 KKAAHN COc1ccc(C(=O)N(Cc2cc(NC(=O)C(C)C)ccc2N(C)C2CCN(C)CC2)CC(C)C)cc1 ZINC000035945011 554102436 /nfs/dbraw/zinc/10/24/36/554102436.db2.gz FWMIQEMFINXERM-UHFFFAOYSA-N 0 3 508.707 5.119 50 0 KKAAHN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCN1CCCC1)C(=O)Nc1cccc(F)c1 ZINC000098019559 554113000 /nfs/dbraw/zinc/11/30/00/554113000.db2.gz LNAHZNNXOFUHHI-UHFFFAOYSA-N 0 3 552.672 5.083 50 0 KKAAHN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000098019725 554114132 /nfs/dbraw/zinc/11/41/32/554114132.db2.gz GKHHOZGJOQXMML-UHFFFAOYSA-N 0 3 583.129 5.460 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000098043740 554128661 /nfs/dbraw/zinc/12/86/61/554128661.db2.gz IFUTVBBIKMJMLR-LOSJGSFVSA-N 0 3 769.376 7.230 50 0 KKAAHN NC(COC(c1ccc(F)cc1)c1ccc(F)cc1)(COC(c1ccc(F)cc1)c1ccc(F)cc1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000098043793 554128943 /nfs/dbraw/zinc/12/89/43/554128943.db2.gz ZHRWRKRMDWHDMO-UHFFFAOYSA-N 0 3 727.745 9.937 50 0 KKAAHN C[C@@H](CC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000098045561 554132469 /nfs/dbraw/zinc/13/24/69/554132469.db2.gz KRXLQVUJIJZVAB-HKBQPEDESA-N 0 3 615.822 6.302 50 0 KKAAHN CCC(=O)Nc1ccc(N(C)C2CCN(C)CC2)c(CN(C(=O)Nc2cccc(F)c2)C2CCCCC2)c1 ZINC000036016037 554135727 /nfs/dbraw/zinc/13/57/27/554135727.db2.gz BEUAEOGZBIZDIX-UHFFFAOYSA-N 0 3 523.697 6.071 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCN(C[C@@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048143 554159852 /nfs/dbraw/zinc/15/98/52/554159852.db2.gz VZODFMDSMOQRNS-NDOUMJCMSA-N 0 3 765.014 9.920 50 0 KKAAHN O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000098048138 554159939 /nfs/dbraw/zinc/15/99/39/554159939.db2.gz XRPGHOCYUVKYDR-HSZRJFAPSA-N 0 3 665.357 5.225 50 0 KKAAHN CC(C)(C)c1cc2cc(N(C(=O)c3cc(Cl)nc(Cl)c3)C3CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC000100001455 554177475 /nfs/dbraw/zinc/17/74/75/554177475.db2.gz VJBZMQGAEKADDD-UHFFFAOYSA-N 0 3 535.519 7.479 50 0 KKAAHN COc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)COCc3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000036302355 554212295 /nfs/dbraw/zinc/21/22/95/554212295.db2.gz QXCMYGNPDYIWRL-VWLOTQADSA-N 0 3 519.642 5.610 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COCc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307274 554216422 /nfs/dbraw/zinc/21/64/22/554216422.db2.gz IXQVZYSKMBTJRB-HHHXNRCGSA-N 0 3 515.629 5.808 50 0 KKAAHN Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(Cc4cccs4)CC3)c12 ZINC000037379564 554236714 /nfs/dbraw/zinc/23/67/14/554236714.db2.gz BEVQDDBYLZCEML-UHFFFAOYSA-N 0 3 512.658 5.628 50 0 KKAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000037380185 554237531 /nfs/dbraw/zinc/23/75/31/554237531.db2.gz SQVWAXJCNYWLEF-MHZLTWQESA-N 0 3 511.666 5.441 50 0 KKAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000037380181 554237536 /nfs/dbraw/zinc/23/75/36/554237536.db2.gz SQVWAXJCNYWLEF-HHHXNRCGSA-N 0 3 511.666 5.441 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523713 554250178 /nfs/dbraw/zinc/25/01/78/554250178.db2.gz GSVGNCIRFXJYSG-RBJSKKJNSA-N 0 3 530.581 6.998 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037524008 554250212 /nfs/dbraw/zinc/25/02/12/554250212.db2.gz VARBROKZCAHOAP-GGXMVOPNSA-N 0 3 526.618 7.167 50 0 KKAAHN COc1ccc(-c2c(-c3ccccc3)c(C(=O)C(=O)NCCCN(C)C)n3ccc4cc(OC)c(OC)cc4c23)cc1OC ZINC000038144858 554266456 /nfs/dbraw/zinc/26/64/56/554266456.db2.gz LVDNWRBOKOPEGV-UHFFFAOYSA-N 0 3 595.696 5.712 50 0 biogenic KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 ZINC000040163546 554282801 /nfs/dbraw/zinc/28/28/01/554282801.db2.gz FUZMQNZACIFDBL-XZWHSSHBSA-N 0 3 652.788 7.171 50 0 biogenic,in-vitro KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000042850970 554296788 /nfs/dbraw/zinc/29/67/88/554296788.db2.gz HGNHIFJNOKGSKI-VMPREFPWSA-N 0 3 608.735 6.859 50 0 endogenous,in-man KKAAHN O=C(CCN1CCN(c2ccccc2)CC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000100810794 554475208 /nfs/dbraw/zinc/47/52/08/554475208.db2.gz FUNRSXVVSCAMJQ-HHHXNRCGSA-N 0 3 596.367 6.102 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2ccc(C)cc2s1 ZINC000060209668 554503395 /nfs/dbraw/zinc/50/33/95/554503395.db2.gz LLTDOVJLZTYQQL-UHFFFAOYSA-N 0 3 550.750 5.414 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000060209757 554503661 /nfs/dbraw/zinc/50/36/61/554503661.db2.gz OVOHHFRKXIBJOH-UHFFFAOYSA-N 0 3 546.734 5.377 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2cc(OC)ccc2s1 ZINC000060210162 554504092 /nfs/dbraw/zinc/50/40/92/554504092.db2.gz YSXZQZYPIOEHOC-UHFFFAOYSA-N 0 3 578.760 5.041 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000060210359 554504389 /nfs/dbraw/zinc/50/43/89/554504389.db2.gz COXJEXBARCJMJZ-UHFFFAOYSA-N 0 3 550.697 5.128 50 0 KKAAHN CCCCOc1ccc([C@](O)(CCC)[C@H](CN2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426876 554508679 /nfs/dbraw/zinc/50/86/79/554508679.db2.gz ZGIIRWXTCHNSIL-QLWXXVCSSA-N 0 3 504.690 6.598 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCc2ccccc2C1 ZINC000100890305 554511619 /nfs/dbraw/zinc/51/16/19/554511619.db2.gz JEFQYKRYONJLAD-BHDXBOSCSA-N 0 3 575.172 5.857 50 0 KKAAHN COc1ccccc1CN(C(=O)c1cc2cc3ccc(OC)c(Cl)c3nc2s1)C1CCN(C)CC1 ZINC000065330834 554526235 /nfs/dbraw/zinc/52/62/35/554526235.db2.gz YMJAFWNTPXUGJL-UHFFFAOYSA-N 0 3 510.059 5.857 50 0 KKAAHN CCC[C@H](OC)c1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000067664824 554532736 /nfs/dbraw/zinc/53/27/36/554532736.db2.gz QDIGHYCNRQYPFR-QFIPXVFZSA-N 0 3 675.345 7.081 50 0 in-vitro KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H](c2cccs2)SCC1=O ZINC000101050710 554568720 /nfs/dbraw/zinc/56/87/20/554568720.db2.gz WYGNZGQGTAHKCC-HHHXNRCGSA-N 0 3 566.152 5.101 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000101126461 554645627 /nfs/dbraw/zinc/64/56/27/554645627.db2.gz RGMSCIUEXKEGHY-YPAWHYETSA-N 0 3 545.444 5.818 50 0 KKAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000101127211 554646064 /nfs/dbraw/zinc/64/60/64/554646064.db2.gz WFPOBVUWSZPAPJ-VSKRKVRLSA-N 0 3 502.876 5.419 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101139034 554652393 /nfs/dbraw/zinc/65/23/93/554652393.db2.gz DKJWBJSUKOFCSM-VJGNERBWSA-N 0 3 521.013 5.969 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101150167 554657030 /nfs/dbraw/zinc/65/70/30/554657030.db2.gz FGOMSAZEUOUEFS-PFBJBMPXSA-N 0 3 504.558 5.454 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101153166 554657827 /nfs/dbraw/zinc/65/78/27/554657827.db2.gz HIOGIZPYTOEBLB-FCEKVYKBSA-N 0 3 516.594 5.324 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000101178416 554665453 /nfs/dbraw/zinc/66/54/53/554665453.db2.gz BCEGFARFUFCHIC-WFPUBZAHSA-N 0 3 528.583 5.990 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000101183246 554668505 /nfs/dbraw/zinc/66/85/05/554668505.db2.gz COURBZJPRAMGCV-CYXNTTPDSA-N 0 3 529.390 5.662 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccc(Br)c(OC)c4)ccc3nc3c2CCCC3)cc1OC ZINC000101193438 554671377 /nfs/dbraw/zinc/67/13/77/554671377.db2.gz MOAFGZZSCCHEAE-UHFFFAOYSA-N 0 3 562.464 6.898 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101201031 554672747 /nfs/dbraw/zinc/67/27/47/554672747.db2.gz UUSRNNSJYSJHQE-WFPUBZAHSA-N 0 3 544.676 6.611 50 0 KKAAHN Cc1ccc(N2CCN(C[C@@H](O)Cn3c(-c4ccccc4)c(-c4ccccc4)c4ccc5ccccc5c43)CC2)cc1 ZINC000101221770 554687336 /nfs/dbraw/zinc/68/73/36/554687336.db2.gz MHSPNGWSJMTDKW-MGBGTMOVSA-N 0 3 551.734 7.620 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101342475 554735899 /nfs/dbraw/zinc/73/58/99/554735899.db2.gz BHAUNPDRZCCCNU-LSMVNSQTSA-N 0 3 531.439 6.254 50 0 KKAAHN CN(CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1)Cc1ccccc1 ZINC000101372849 554745062 /nfs/dbraw/zinc/74/50/62/554745062.db2.gz JDLPGVVICPZDDJ-YQYKVWLJSA-N 0 3 551.687 6.368 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)cc1 ZINC000101386152 554751268 /nfs/dbraw/zinc/75/12/68/554751268.db2.gz IGWFBYWUICWPQV-YZNIXAGQSA-N 0 3 542.724 5.709 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386122 554751309 /nfs/dbraw/zinc/75/13/09/554751309.db2.gz AZJGLKSQJNWUGV-IUDBTDONSA-N 0 3 582.745 6.340 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386201 554751400 /nfs/dbraw/zinc/75/14/00/554751400.db2.gz NUWQCCWWFGRSRO-LWQYYNMXSA-N 0 3 623.817 6.943 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000101386227 554751428 /nfs/dbraw/zinc/75/14/28/554751428.db2.gz XAPJFJSMPHQWMJ-GOJCVTOHSA-N 0 3 647.864 6.575 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386185 554751459 /nfs/dbraw/zinc/75/14/59/554751459.db2.gz LDWYSZQCVJPLQB-CPBHLAHYSA-N 0 3 593.772 6.142 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386214 554751497 /nfs/dbraw/zinc/75/14/97/554751497.db2.gz XPSUQOOIMPKGHI-SJHOIFEDSA-N 0 3 610.774 6.886 50 0 KKAAHN CC(C)CN(CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)CC(C)C ZINC000101416891 554765802 /nfs/dbraw/zinc/76/58/02/554765802.db2.gz ZTKZCRMPMAVYAR-UHFFFAOYSA-N 0 3 565.711 5.163 50 0 KKAAHN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(CN3CCCCC3)cc2)CC1 ZINC000101501533 554788721 /nfs/dbraw/zinc/78/87/21/554788721.db2.gz YZRGWWKSGKZJBX-XYOKQWHBSA-N 0 3 584.689 5.457 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101534653 554795520 /nfs/dbraw/zinc/79/55/20/554795520.db2.gz KOCHPUKKFCJRIZ-GXIQWAOMSA-N 0 3 550.655 5.682 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101636832 554813218 /nfs/dbraw/zinc/81/32/18/554813218.db2.gz XTFLTUMEXSLHAE-LDLOPFEMSA-N 0 3 566.167 6.299 50 0 KKAAHN Cc1ccccc1NC(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101891062 554846502 /nfs/dbraw/zinc/84/65/02/554846502.db2.gz KTSPRCKTMNAAHN-FREGXXQWSA-N 0 3 565.684 5.840 50 0 KKAAHN C[C@@H](CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000102034440 554868830 /nfs/dbraw/zinc/86/88/30/554868830.db2.gz VWYBOQZLIDFHCH-MHZLTWQESA-N 0 3 572.753 5.352 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102099004 554880773 /nfs/dbraw/zinc/88/07/73/554880773.db2.gz QDWKNZACXBCBPP-LBNVMWSVSA-N 0 3 562.598 7.738 50 0 KKAAHN COc1ccc(S[C@H]2C[C@@H](C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc4ccccc4c3)C2)cc1 ZINC000102123776 554884384 /nfs/dbraw/zinc/88/43/84/554884384.db2.gz VMCAVGZEJDNWLP-HIDUATBNSA-N 0 3 595.853 6.553 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cnn(-c4ccc(F)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102129629 554884454 /nfs/dbraw/zinc/88/44/54/554884454.db2.gz YTKYVMWQVUHKJG-UHFFFAOYSA-N 0 3 589.756 6.076 50 0 KKAAHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3ccccc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102130451 554885264 /nfs/dbraw/zinc/88/52/64/554885264.db2.gz AMIHQPBFTVEGSG-UHFFFAOYSA-N 0 3 587.765 5.637 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4c(F)cccc4F)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135972 554887775 /nfs/dbraw/zinc/88/77/75/554887775.db2.gz JACUDBMFMXBBPT-OFVILXPXSA-N 0 3 559.579 5.670 50 0 KKAAHN CN(Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102265535 554905416 /nfs/dbraw/zinc/90/54/16/554905416.db2.gz MWABQJGXMAULNC-UHFFFAOYSA-N 0 3 533.594 6.569 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)Nc2cccc(C)c2)CC1 ZINC000102309479 554909709 /nfs/dbraw/zinc/90/97/09/554909709.db2.gz GIHPBXQNSGSWCK-MFMCTBQISA-N 0 3 526.725 5.435 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102546701 554959492 /nfs/dbraw/zinc/95/94/92/554959492.db2.gz UISUCNIPNWDEOI-GMTSZFNJSA-N 0 3 570.645 6.869 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102559513 554966889 /nfs/dbraw/zinc/96/68/89/554966889.db2.gz SNCHPGRCAVKONL-NLDZOOGBSA-N 0 3 619.899 6.741 50 0 KKAAHN CCOC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc(-c4ccsc4)nc3N(C)Cc3ccccc3)CC2)C1 ZINC000102633706 554990152 /nfs/dbraw/zinc/99/01/52/554990152.db2.gz ALDOUODBZYUHDC-XMMPIXPASA-N 0 3 546.737 5.326 50 0 KKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(=O)OC)cc4)[C@@H]3C2=O)cc1 ZINC000102723115 555020731 /nfs/dbraw/zinc/02/07/31/555020731.db2.gz GWRWWWDNIQLMGE-GMQQYTKMSA-N 0 3 514.578 5.093 50 0 KKAAHN O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102734011 555024667 /nfs/dbraw/zinc/02/46/67/555024667.db2.gz JBLXWAXDZJLTKI-PCCBWWKXSA-N 0 3 538.412 5.257 50 0 KKAAHN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000102745142 555036952 /nfs/dbraw/zinc/03/69/52/555036952.db2.gz AMRLBNBIYARJEM-HKBOAZHASA-N 0 3 545.220 5.016 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000102746317 555038612 /nfs/dbraw/zinc/03/86/12/555038612.db2.gz DLEMHSYCAFTVFC-PWRODBHTSA-N 0 3 518.194 5.807 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(OC)cc4)C(=O)N32)cc1 ZINC000102746903 555039894 /nfs/dbraw/zinc/03/98/94/555039894.db2.gz LXZKZRWEDINBLS-SVBPBHIXSA-N 0 3 583.714 5.073 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102749137 555043451 /nfs/dbraw/zinc/04/34/51/555043451.db2.gz SXWCNTMBKSVPGS-ZONZVBGPSA-N 0 3 504.558 5.454 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102753924 555045595 /nfs/dbraw/zinc/04/55/95/555045595.db2.gz BOVVKZHOTIIIKU-MPFGFTFXSA-N 0 3 534.568 5.356 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102755129 555046919 /nfs/dbraw/zinc/04/69/19/555046919.db2.gz ODGNBOYPZLPWND-ISJGIBHGSA-N 0 3 505.357 6.305 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102757554 555049978 /nfs/dbraw/zinc/04/99/78/555049978.db2.gz HURXEWHQARGWKH-JFHPUIQFSA-N 0 3 536.628 6.469 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000102758759 555050688 /nfs/dbraw/zinc/05/06/88/555050688.db2.gz XBGLYYZHIOZHGA-WXFUMESZSA-N 0 3 512.484 5.425 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102758655 555050716 /nfs/dbraw/zinc/05/07/16/555050716.db2.gz YUSDUUYSSWYYRK-ISJGIBHGSA-N 0 3 504.464 5.790 50 0 KKAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000102759160 555050924 /nfs/dbraw/zinc/05/09/24/555050924.db2.gz MEKBXZLHXRDSEC-MPFGFTFXSA-N 0 3 506.558 5.325 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102761355 555052713 /nfs/dbraw/zinc/05/27/13/555052713.db2.gz LKDPKYSTNRLRGA-MPFGFTFXSA-N 0 3 508.574 5.688 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102762946 555053262 /nfs/dbraw/zinc/05/32/62/555053262.db2.gz RAYJLBGXBQZTPU-JCYYIGJDSA-N 0 3 514.578 5.128 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102765659 555054622 /nfs/dbraw/zinc/05/46/22/555054622.db2.gz VOGICXLSCLNYCX-WXFUMESZSA-N 0 3 507.384 5.126 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102766039 555054973 /nfs/dbraw/zinc/05/49/73/555054973.db2.gz ACMGXGJEOXNCQB-ZONZVBGPSA-N 0 3 521.013 5.969 50 0 KKAAHN COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)CN(Cc2ccc(OC)c(OC)c2)C1 ZINC000102785091 555067486 /nfs/dbraw/zinc/06/74/86/555067486.db2.gz VYMWKYUAUSBMQB-RBJSKKJNSA-N 0 3 544.692 5.035 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102860604 555090882 /nfs/dbraw/zinc/09/08/82/555090882.db2.gz FTDBOAQUTSQRPF-XPWALMASSA-N 0 3 559.471 6.208 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000102863276 555093207 /nfs/dbraw/zinc/09/32/07/555093207.db2.gz XCFNHJLMJLEOPY-KMDXXIMOSA-N 0 3 504.608 5.210 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102866350 555095466 /nfs/dbraw/zinc/09/54/66/555095466.db2.gz XDLGDMKLZCIDCX-NHKHRBQYSA-N 0 3 552.558 5.413 50 0 KKAAHN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(Br)cc2)cc1 ZINC000102871114 555101485 /nfs/dbraw/zinc/10/14/85/555101485.db2.gz ZQXSEUNMRRKKLC-TWJOJJKGSA-N 0 3 557.400 5.440 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102884865 555114825 /nfs/dbraw/zinc/11/48/25/555114825.db2.gz MQTZMIAOJDTZAC-NHKHRBQYSA-N 0 3 585.454 6.088 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102887035 555117787 /nfs/dbraw/zinc/11/77/87/555117787.db2.gz FFRCNKAHTCNNMI-NLDZOOGBSA-N 0 3 552.558 5.413 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102887317 555118867 /nfs/dbraw/zinc/11/88/67/555118867.db2.gz YEVTYJNCKNYRIU-HKFRAXQBSA-N 0 3 597.092 6.275 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102890509 555125802 /nfs/dbraw/zinc/12/58/02/555125802.db2.gz CGUYSYHDJNQRAM-FCEKVYKBSA-N 0 3 572.976 5.758 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102890513 555125893 /nfs/dbraw/zinc/12/58/93/555125893.db2.gz CGUYSYHDJNQRAM-IARZGTGTSA-N 0 3 572.976 5.758 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102896906 555137251 /nfs/dbraw/zinc/13/72/51/555137251.db2.gz ULDGKVJMNWIMNF-JFHPUIQFSA-N 0 3 576.630 5.659 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000102912302 555143317 /nfs/dbraw/zinc/14/33/17/555143317.db2.gz NVSQTSPYGFBEPW-KKUQBAQOSA-N 0 3 530.646 5.472 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c3c1cccc3C(=O)N(c1cccc(C(F)(F)F)c1)C2=O ZINC000102938952 555167637 /nfs/dbraw/zinc/16/76/37/555167637.db2.gz AGANOBGYSJSEIH-UHFFFAOYSA-N 0 3 557.572 6.054 50 0 KKAAHN COc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1 ZINC000103046872 555228860 /nfs/dbraw/zinc/22/88/60/555228860.db2.gz AGKGAMJUHGCFTL-UHFFFAOYSA-N 0 3 532.062 5.020 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccsc2)cc1 ZINC000103089742 555268672 /nfs/dbraw/zinc/26/86/72/555268672.db2.gz VXZSKMSCLAVLQN-NDEPHWFRSA-N 0 3 580.179 5.410 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@@H](OCc3ccc(F)cc3)[C@@H]2O1 ZINC000103124840 555292784 /nfs/dbraw/zinc/29/27/84/555292784.db2.gz NWIYZRWWUWVYGA-KMFVSHEXSA-N 0 3 594.646 5.211 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000103124916 555292983 /nfs/dbraw/zinc/29/29/83/555292983.db2.gz WYGJDEYUHXVZBL-DEJVGURISA-N 0 3 576.656 5.072 50 0 KKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCC2)C(=O)Nc2cccc(Cl)c2)s1 ZINC000103131943 555301284 /nfs/dbraw/zinc/30/12/84/555301284.db2.gz PJXRMCIHLIRREW-UHFFFAOYSA-N 0 3 543.108 6.008 50 0 KKAAHN COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(-c2ccc(Cl)cc2)nn3-c2ccc(C)cc2)c1 ZINC000103397829 555383923 /nfs/dbraw/zinc/38/39/23/555383923.db2.gz ZHTFQZIOCLFJRK-YTTGMZPUSA-N 0 3 634.202 5.365 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Oc2ccc(Cl)cc2)c1)NCCN1CCCC1 ZINC000103417012 555397789 /nfs/dbraw/zinc/39/77/89/555397789.db2.gz HBCNOHKTEJPQML-MGBGTMOVSA-N 0 3 596.146 8.008 50 0 KKAAHN CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000143790150 562835272 /nfs/dbraw/zinc/83/52/72/562835272.db2.gz IDKAKZRYYDCJDU-MCVFFFNQSA-N 0 3 562.513 5.303 50 0 in-vitro KKAAHN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101001908 571361218 /nfs/dbraw/zinc/36/12/18/571361218.db2.gz OTNBBUSVSKOYAD-CKHSQSCFSA-N 0 3 506.602 5.409 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000104147453 571375262 /nfs/dbraw/zinc/37/52/62/571375262.db2.gz DQWOZLGJVALEIT-NSQROVRMSA-N 0 3 558.792 5.710 50 0 KKAAHN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000104784434 571386148 /nfs/dbraw/zinc/38/61/48/571386148.db2.gz AMRLBNBIYARJEM-QHAWAJNXSA-N 0 3 545.220 5.016 50 0 KKAAHN O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000104784438 571386191 /nfs/dbraw/zinc/38/61/91/571386191.db2.gz AMRLBNBIYARJEM-NJDAHSKKSA-N 0 3 545.220 5.016 50 0 KKAAHN O=C(Nc1ccc(F)cc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104920029 571387753 /nfs/dbraw/zinc/38/77/53/571387753.db2.gz CHRHPKPBYVNEJL-BKMJKUGQSA-N 0 3 515.526 5.528 50 0 KKAAHN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104919814 571387782 /nfs/dbraw/zinc/38/77/82/571387782.db2.gz FQTVRXMMHLCPII-XNMGPUDCSA-N 0 3 511.563 5.067 50 0 KKAAHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)C1 ZINC000105046924 571390356 /nfs/dbraw/zinc/39/03/56/571390356.db2.gz GDURILCLJKJVSR-WXFUMESZSA-N 0 3 501.042 5.195 50 0 KKAAHN COc1ccc([C@@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042281 571390400 /nfs/dbraw/zinc/39/04/00/571390400.db2.gz NEKMJQLHAZFCCA-RNAHPLFWSA-N 0 3 506.618 5.116 50 0 KKAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000105061711 571390945 /nfs/dbraw/zinc/39/09/45/571390945.db2.gz ZRLFWKYXLLYDCH-KMRXNPHXSA-N 0 3 522.114 5.421 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000105795735 571408664 /nfs/dbraw/zinc/40/86/64/571408664.db2.gz SHTPDBKUWALGMG-ZONZVBGPSA-N 0 3 565.464 6.078 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106018357 571410539 /nfs/dbraw/zinc/41/05/39/571410539.db2.gz FFRCNKAHTCNNMI-MPFGFTFXSA-N 0 3 552.558 5.413 50 0 KKAAHN COc1ccc([C@@H]2CC(=O)[C@H]([C@@H]3NCCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000106348468 571412189 /nfs/dbraw/zinc/41/21/89/571412189.db2.gz ZQUBRKJSKNTGGQ-MNPDLOSFSA-N 0 3 528.958 5.675 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136214620 571449210 /nfs/dbraw/zinc/44/92/10/571449210.db2.gz ODGNBOYPZLPWND-CCDWMCETSA-N 0 3 505.357 6.305 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136153413 571449229 /nfs/dbraw/zinc/44/92/29/571449229.db2.gz LHOFLAMJQVVUJR-CCDWMCETSA-N 0 3 515.363 5.760 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)C3ON2c2ccccc2)cc1Br ZINC000137493448 571450344 /nfs/dbraw/zinc/45/03/44/571450344.db2.gz VOGICXLSCLNYCX-RBZQAINGSA-N 0 3 507.384 5.126 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000137882002 571450716 /nfs/dbraw/zinc/45/07/16/571450716.db2.gz POVRGIYDCPLPPR-KKUQBAQOSA-N 0 3 519.384 6.613 50 0 KKAAHN CC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000137909854 571450790 /nfs/dbraw/zinc/45/07/90/571450790.db2.gz DTRNDXUFWWURGR-OIFRRMEBSA-N 0 3 518.569 5.519 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C1=O ZINC000138589587 571451525 /nfs/dbraw/zinc/45/15/25/571451525.db2.gz XECHRCZXJANQFM-KMDXXIMOSA-N 0 3 504.373 5.901 50 0 KKAAHN O=C(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000150342586 571458782 /nfs/dbraw/zinc/45/87/82/571458782.db2.gz VGHUWPLFLVESCA-UHFFFAOYSA-N 0 3 731.940 10.169 50 0 KKAAHN CC(C)C(=O)Nc1ccn([C@H]2C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(=O)OC[C@@H](C)c3ccccc3[N+](=O)[O-])O2)c(=O)n1 ZINC000150353941 571462867 /nfs/dbraw/zinc/46/28/67/571462867.db2.gz WIBNCZNHWIPMDL-LXZAXPNMSA-N 0 3 704.718 5.652 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150388928 571471243 /nfs/dbraw/zinc/47/12/43/571471243.db2.gz HPKKBVYWDZEZMN-UHFFFAOYSA-N 0 3 634.066 9.038 50 0 KKAAHN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150389234 571471619 /nfs/dbraw/zinc/47/16/19/571471619.db2.gz QQBJNEXCAGFRQX-SFQUDFHCSA-N 0 3 677.804 10.386 50 0 KKAAHN O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(c2ccccc2)CC1 ZINC000150450292 571502435 /nfs/dbraw/zinc/50/24/35/571502435.db2.gz SZYGZMLEEUEOFC-NRFANRHFSA-N 0 3 637.303 5.187 50 0 KKAAHN COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCN(C[C@H](O)Cn3c(-c4ccc(OC)cc4)cc4ccccc43)CC2)cc1 ZINC000150479487 571511706 /nfs/dbraw/zinc/51/17/06/571511706.db2.gz JGRPNZJSUKYMOG-AQOUDTPCSA-N 0 3 644.816 5.987 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000150610308 571523055 /nfs/dbraw/zinc/52/30/55/571523055.db2.gz AZLDHAXKHQJGGK-ZJJOJAIXSA-N 0 3 673.824 7.823 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000150639352 571524617 /nfs/dbraw/zinc/52/46/17/571524617.db2.gz HKBHXZSLPKDQER-UKWQMNBVSA-N 0 3 688.879 8.203 50 0 KKAAHN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653727 571526223 /nfs/dbraw/zinc/52/62/23/571526223.db2.gz QYWSWKYZIAILOR-YTTGMZPUSA-N 0 3 670.851 5.616 50 0 biogenic KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000150657513 571527018 /nfs/dbraw/zinc/52/70/18/571527018.db2.gz DYHPUZLBYYJFMS-JCYYIGJDSA-N 0 3 646.437 5.570 50 0 KKAAHN O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000158988046 571529912 /nfs/dbraw/zinc/52/99/12/571529912.db2.gz NSLBTBGUFUPTCR-UIOOFZCWSA-N 0 3 759.370 7.774 50 0 KKAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169680883 571557151 /nfs/dbraw/zinc/55/71/51/571557151.db2.gz CTPFBMUCGTVGCK-YUDQIZAISA-N 0 3 507.744 5.424 50 0 KKAAHN CC[C@H](C(=O)N1C[C@H](CN2CCN(c3cccc(OC)c3)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000169681709 571557585 /nfs/dbraw/zinc/55/75/85/571557585.db2.gz IPSDASVBSOCDAK-HOSFBAFGSA-N 0 3 565.680 6.272 50 0 KKAAHN CCCN1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000198701289 571568556 /nfs/dbraw/zinc/56/85/56/571568556.db2.gz QAKUABRXDRDPFA-OAQYLSRUSA-N 0 3 598.177 6.720 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000299756378 572134669 /nfs/dbraw/zinc/13/46/69/572134669.db2.gz HEYCSPJMECKBOS-LMSSTIIKSA-N 0 3 595.710 5.218 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccccc2Cl)CC1 ZINC000299759611 572134889 /nfs/dbraw/zinc/13/48/89/572134889.db2.gz NLPJWDAPDLOKGC-MFMCTBQISA-N 0 3 561.170 5.458 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226815526 572141966 /nfs/dbraw/zinc/14/19/66/572141966.db2.gz FDUKXOPMQCRVOR-FRXPANAUSA-N 0 3 522.601 6.078 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000226823215 572142842 /nfs/dbraw/zinc/14/28/42/572142842.db2.gz TWXMRUSISZIMHZ-BHDDXSALSA-N 0 3 513.775 5.162 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226832385 572142891 /nfs/dbraw/zinc/14/28/91/572142891.db2.gz AVFPRVAOUSFFCL-OYUWMTPXSA-N 0 3 508.505 5.096 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226873376 572144585 /nfs/dbraw/zinc/14/45/85/572144585.db2.gz KPHCPOAPZBEPFP-FRXPANAUSA-N 0 3 538.575 5.855 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226873376 572144589 /nfs/dbraw/zinc/14/45/89/572144589.db2.gz KPHCPOAPZBEPFP-FRXPANAUSA-N 0 3 538.575 5.855 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913371 572145101 /nfs/dbraw/zinc/14/51/01/572145101.db2.gz UUSRNNSJYSJHQE-AOFBEVEVSA-N 0 3 544.676 6.611 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913454 572145465 /nfs/dbraw/zinc/14/54/65/572145465.db2.gz GKAZYFQOEUZNOQ-AOFBEVEVSA-N 0 3 528.608 6.143 50 0 KKAAHN O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226986345 572146777 /nfs/dbraw/zinc/14/67/77/572146777.db2.gz MAIWFRLTLAWYSJ-QHAWAJNXSA-N 0 3 572.857 5.910 50 0 KKAAHN O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226986345 572146780 /nfs/dbraw/zinc/14/67/80/572146780.db2.gz MAIWFRLTLAWYSJ-QHAWAJNXSA-N 0 3 572.857 5.910 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000227085192 572149769 /nfs/dbraw/zinc/14/97/69/572149769.db2.gz DLRWMULHGRLADS-CCDWMCETSA-N 0 3 594.259 6.523 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1OC ZINC000227082496 572149824 /nfs/dbraw/zinc/14/98/24/572149824.db2.gz ALJBADOISWIGCG-JIMJEQGWSA-N 0 3 598.437 5.530 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000227086314 572150513 /nfs/dbraw/zinc/15/05/13/572150513.db2.gz FBSHMUUKVBFUCM-HZFUHODCSA-N 0 3 555.428 6.079 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227230404 572150848 /nfs/dbraw/zinc/15/08/48/572150848.db2.gz QBRYVBBYJJPODK-ZGIBFIJWSA-N 0 3 664.350 6.850 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227230278 572150972 /nfs/dbraw/zinc/15/09/72/572150972.db2.gz FFRCNKAHTCNNMI-ZGIBFIJWSA-N 0 3 552.558 5.413 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000227291694 572153379 /nfs/dbraw/zinc/15/33/79/572153379.db2.gz VSRIDIVLSKGWGY-GMQQYTKMSA-N 0 3 595.460 5.812 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000229620643 572157109 /nfs/dbraw/zinc/15/71/09/572157109.db2.gz GKISSFMKIWYFDS-OSSDZZHWSA-N 0 3 517.412 5.864 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000229943304 572172397 /nfs/dbraw/zinc/17/23/97/572172397.db2.gz OEULSDVNRAXMCN-UPRLRBBYSA-N 0 3 575.042 5.467 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000229944191 572172500 /nfs/dbraw/zinc/17/25/00/572172500.db2.gz FQGSVNRQXHCQSE-YUAOJYLXSA-N 0 3 563.028 6.644 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229949693 572173176 /nfs/dbraw/zinc/17/31/76/572173176.db2.gz NGPGDNUELGEEOY-HMYMNELBSA-N 0 3 550.655 5.601 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000229955207 572173979 /nfs/dbraw/zinc/17/39/79/572173979.db2.gz DSEIGPOPWRCJTQ-AGKKXDHOSA-N 0 3 599.539 7.610 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229969391 572175337 /nfs/dbraw/zinc/17/53/37/572175337.db2.gz RGMSCIUEXKEGHY-BHDDXSALSA-N 0 3 545.444 5.818 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229969379 572175387 /nfs/dbraw/zinc/17/53/87/572175387.db2.gz FTDBOAQUTSQRPF-YTFSRNRJSA-N 0 3 559.471 6.208 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000229977219 572176000 /nfs/dbraw/zinc/17/60/00/572176000.db2.gz RPAOVPSORWAUDF-GZNUUUAQSA-N 0 3 525.048 6.237 50 0 KKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000229991307 572177034 /nfs/dbraw/zinc/17/70/34/572177034.db2.gz AZKFRKYWHBXYFA-GURVGDRESA-N 0 3 545.466 6.582 50 0 KKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(=O)OC)cc4)[C@@H]3C2=O)cc1 ZINC000229998190 572177822 /nfs/dbraw/zinc/17/78/22/572177822.db2.gz GWRWWWDNIQLMGE-OYUWMTPXSA-N 0 3 514.578 5.093 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCCC)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000230010754 572178364 /nfs/dbraw/zinc/17/83/64/572178364.db2.gz BUFVHZOLWAUEGK-ZGIBFIJWSA-N 0 3 530.621 5.714 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000230025152 572179752 /nfs/dbraw/zinc/17/97/52/572179752.db2.gz JNBDVLHASKLWEB-PWRODBHTSA-N 0 3 518.194 5.807 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@@H]3C2=O)cc1 ZINC000230030946 572180038 /nfs/dbraw/zinc/18/00/38/572180038.db2.gz WYYYTXNFYZOAJH-JIMJEQGWSA-N 0 3 519.384 6.613 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000230057934 572181643 /nfs/dbraw/zinc/18/16/43/572181643.db2.gz ROJJJJLQDMZZCG-PWRODBHTSA-N 0 3 507.295 6.063 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000230090587 572183258 /nfs/dbraw/zinc/18/32/58/572183258.db2.gz YBBWWYMELMAGHI-GZNUUUAQSA-N 0 3 508.593 5.723 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000230090587 572183261 /nfs/dbraw/zinc/18/32/61/572183261.db2.gz YBBWWYMELMAGHI-GZNUUUAQSA-N 0 3 508.593 5.723 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000230189092 572185097 /nfs/dbraw/zinc/18/50/97/572185097.db2.gz WRHSBJXEQMDBBO-UCDUTVGFSA-N 0 3 525.048 6.319 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccn2)[C@@]12c1ccccc1NC2=O ZINC000230202269 572185559 /nfs/dbraw/zinc/18/55/59/572185559.db2.gz HENPRBOQZDFZSD-YUAOJYLXSA-N 0 3 525.608 5.636 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C1=O)CCCC2 ZINC000238923897 572189033 /nfs/dbraw/zinc/18/90/33/572189033.db2.gz QDOVJPPZPYWNSY-DNVJHFABSA-N 0 3 522.648 5.225 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000245241484 572215494 /nfs/dbraw/zinc/21/54/94/572215494.db2.gz FTDBOAQUTSQRPF-DNVJHFABSA-N 0 3 559.471 6.208 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@H]3C2=O)cc1 ZINC000245245203 572217408 /nfs/dbraw/zinc/21/74/08/572217408.db2.gz BTHXBGCMBIWQBY-JCYYIGJDSA-N 0 3 563.437 7.093 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(F)cc5)o4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000245246155 572218844 /nfs/dbraw/zinc/21/88/44/572218844.db2.gz JODYNDBBHOQHEG-DSNGMDLFSA-N 0 3 604.612 5.470 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246787 572219805 /nfs/dbraw/zinc/21/98/05/572219805.db2.gz NTYZTCUSRHTOFQ-ZQOCDUSVSA-N 0 3 571.073 5.946 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000245246813 572219906 /nfs/dbraw/zinc/21/99/06/572219906.db2.gz OTRWQNZKWQMCSF-WPQKMFINSA-N 0 3 551.067 6.648 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246493 572219971 /nfs/dbraw/zinc/21/99/71/572219971.db2.gz MUNOBNJSMWTBIM-BCHNEZAYSA-N 0 3 564.682 5.991 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245281321 572225309 /nfs/dbraw/zinc/22/53/09/572225309.db2.gz XFOAKDYXTUUMFD-HOFKKMOUSA-N 0 3 515.595 6.197 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000245309079 572227126 /nfs/dbraw/zinc/22/71/26/572227126.db2.gz AOSBVAHWYYJNOM-UBFVSLLYSA-N 0 3 526.511 5.815 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245312633 572230357 /nfs/dbraw/zinc/23/03/57/572230357.db2.gz WQAQLDOMJVZVAW-WPQKMFINSA-N 0 3 516.622 5.913 50 0 KKAAHN CC(C)N(C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247974602 572251141 /nfs/dbraw/zinc/25/11/41/572251141.db2.gz FIKKHZGZLLGDJB-KCWPFWIISA-N 0 3 533.009 7.264 50 0 KKAAHN CC(C)n1c(CN2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247984804 572251461 /nfs/dbraw/zinc/25/14/61/572251461.db2.gz ILDHHERDDRHVCO-GDLZYMKVSA-N 0 3 535.736 5.763 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000248126347 572254462 /nfs/dbraw/zinc/25/44/62/572254462.db2.gz VARBROKZCAHOAP-WNJJXGMVSA-N 0 3 526.618 7.167 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)N[C@@H](c3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 ZINC000248175804 572256322 /nfs/dbraw/zinc/25/63/22/572256322.db2.gz YZHCZWLUIAZWEZ-FWEHEUNISA-N 0 3 526.023 8.397 50 0 KKAAHN CN(CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586367 572265319 /nfs/dbraw/zinc/26/53/19/572265319.db2.gz PKPVAUJGGSQOMJ-QGTBSMAUSA-N 0 3 625.597 5.054 50 0 KKAAHN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000248270230 1069850958 /nfs/dbraw/zinc/85/09/58/1069850958.db2.gz PVORPPZFOCAFCM-RQJGXFNESA-N 0 3 511.021 6.054 50 0 KKAAHN Cc1ccsc1C(=O)N1CCCC[C@@H]1CCOc1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC000012037581 1071234394 /nfs/dbraw/zinc/23/43/94/1071234394.db2.gz NDAZPQIMUQCNNS-HHHXNRCGSA-N 0 3 513.707 6.701 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012190723 1071238664 /nfs/dbraw/zinc/23/86/64/1071238664.db2.gz UOGPRVMGHIXUAH-IDRNJTBQSA-N 0 3 523.652 6.337 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c1)Cc1cccc2cccnc21 ZINC000012053114 1071237000 /nfs/dbraw/zinc/23/70/00/1071237000.db2.gz IYINNTBICUZMEA-SSEXGKCCSA-N 0 3 525.668 6.399 50 0 KKAAHN CC(C)(C)C(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618256347 1071277871 /nfs/dbraw/zinc/27/78/71/1071277871.db2.gz HVTIDZXHEITRRQ-UHFFFAOYSA-N 0 3 590.090 6.040 50 0 KKAAHN Cc1nc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)cs1 ZINC000014990420 1072894531 /nfs/dbraw/zinc/89/45/31/1072894531.db2.gz RLBMLHWQAYNIRC-AREMUKBSSA-N 0 3 514.695 6.096 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000001239817 551630557 /nfs/dbraw/zinc/63/05/57/551630557.db2.gz FDCZYOXXXBUMBF-PCCBWWKXSA-N 0 3 531.417 5.509 50 0 KKAAHN CCOC(=O)c1ccccc1OCc1cc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)ccc1OC ZINC000001322335 551642112 /nfs/dbraw/zinc/64/21/12/551642112.db2.gz PCTRPPBDUIJHMN-XIFFEERXSA-N 0 3 562.666 6.746 50 0 biogenic KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000001853969 551716045 /nfs/dbraw/zinc/71/60/45/551716045.db2.gz OYNRONYGRHGLMX-OIFRRMEBSA-N 0 3 584.650 5.294 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000002401778 552111464 /nfs/dbraw/zinc/11/14/64/552111464.db2.gz HMGCWYIVECWVQW-DSNGMDLFSA-N 0 3 539.802 6.958 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002416374 552114857 /nfs/dbraw/zinc/11/48/57/552114857.db2.gz FGYBWTFVCYLGRF-VJGNERBWSA-N 0 3 524.960 5.610 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000002420737 552115643 /nfs/dbraw/zinc/11/56/43/552115643.db2.gz FOKPNSNZLXFBGO-BDTNDASRSA-N 0 3 519.768 5.412 50 0 KKAAHN COc1cc([C@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654160 552148039 /nfs/dbraw/zinc/14/80/39/552148039.db2.gz YKDGTSAUMCIKQF-AYWVHJORSA-N 0 3 563.019 8.252 50 0 KKAAHN O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)C21 ZINC000002959932 552233486 /nfs/dbraw/zinc/23/34/86/552233486.db2.gz AMRLBNBIYARJEM-NJYVYQBISA-N 0 3 545.220 5.016 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967790 552238425 /nfs/dbraw/zinc/23/84/25/552238425.db2.gz KPBFGTCZLONSCL-RPWUZVMVSA-N 0 3 559.717 5.126 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968269 552239840 /nfs/dbraw/zinc/23/98/40/552239840.db2.gz HVSPWGNSWPQGPT-DNQXCXABSA-N 0 3 560.079 5.156 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968477 552240752 /nfs/dbraw/zinc/24/07/52/552240752.db2.gz WJMQQOWZNRZGEA-JWQCQUIFSA-N 0 3 590.105 5.164 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3c(F)cccc3Cl)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034069 552268532 /nfs/dbraw/zinc/26/85/32/552268532.db2.gz SKSZVFMLHFEOGY-UHFFFAOYSA-N 0 3 535.135 6.405 50 0 KKAAHN Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCN(C)CCc4ccccc4)cc3)C2=O)cc1 ZINC000003057723 552281174 /nfs/dbraw/zinc/28/11/74/552281174.db2.gz NOVNXTKJTCKWOM-IWBSIUBASA-N 0 3 545.683 5.866 50 0 KKAAHN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCCN(C)Cc4ccccc4)cc3)C2=O)c1 ZINC000003061266 552282159 /nfs/dbraw/zinc/28/21/59/552282159.db2.gz BMCUGNZIUMPPFF-GZZLJNBRSA-N 0 3 561.751 6.927 50 0 KKAAHN CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccc(C(=O)NCCCN3CCc4ccccc4C3)cc21 ZINC000003064337 552284458 /nfs/dbraw/zinc/28/44/58/552284458.db2.gz WFWDMEBQFJJIFG-OVVQPSECSA-N 0 3 518.082 5.628 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(c2ccccc2)CC1 ZINC000003268717 552331101 /nfs/dbraw/zinc/33/11/01/552331101.db2.gz DEZKKHQYVLMBTL-OAQYLSRUSA-N 0 3 543.303 5.503 50 0 KKAAHN CCOC(=O)c1c(NC(=O)COc2ccc3oc4ccccc4c3c2)sc2c1CC(C)(C)NC2(C)C ZINC000003292028 552341015 /nfs/dbraw/zinc/34/10/15/552341015.db2.gz FSROWYVOSDVHMQ-UHFFFAOYSA-N 0 3 506.624 6.001 50 0 KKAAHN COc1ccc(NC(=O)COc2ccc([C@H]3NC[C@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410209 552381880 /nfs/dbraw/zinc/38/18/80/552381880.db2.gz DQJZKQXBCINRDZ-GPNASLBKSA-N 0 3 568.073 6.681 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000006142207 552543604 /nfs/dbraw/zinc/54/36/04/552543604.db2.gz FWUSQWTUKCTQJP-NJDAHSKKSA-N 0 3 517.301 5.519 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166773 552556633 /nfs/dbraw/zinc/55/66/33/552556633.db2.gz GIQLPRHZIZKUSQ-UHFFFAOYSA-N 0 3 623.712 9.198 50 0 KKAAHN CC(C)CN(Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000006166807 552556923 /nfs/dbraw/zinc/55/69/23/552556923.db2.gz PLGIXDDDQWPMHK-UHFFFAOYSA-N 0 3 620.039 8.730 50 0 KKAAHN CCOC(=O)c1cc(NCCN(C)C[C@@H]2c3ccccc3C=Cc3ccc(Cl)cc32)c2c(Cl)cc(Cl)cc2n1 ZINC000008385951 552991599 /nfs/dbraw/zinc/99/15/99/552991599.db2.gz QHQIPBAICBCAPN-RUZDIDTESA-N 0 3 580.943 8.031 50 0 KKAAHN O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008399010 553000330 /nfs/dbraw/zinc/00/03/30/553000330.db2.gz NGYMIVILOPOFDQ-UHFFFAOYSA-N 0 3 545.605 5.849 50 0 KKAAHN O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444823 553052056 /nfs/dbraw/zinc/05/20/56/553052056.db2.gz PDXWEDPGKPWEPA-VIVKUPLDSA-N 0 3 592.504 6.033 50 0 KKAAHN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454505 553069053 /nfs/dbraw/zinc/06/90/53/553069053.db2.gz JKNQCGJELBTSRO-UHFFFAOYSA-N 0 3 515.605 5.203 50 0 KKAAHN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C5C6CC7CC(C6)CC5C7)CC4)c3n2)cc1 ZINC000008454578 553069429 /nfs/dbraw/zinc/06/94/29/553069429.db2.gz DZKZQCXTHORCFT-UHFFFAOYSA-N 0 3 505.613 5.225 50 0 KKAAHN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454576 553069442 /nfs/dbraw/zinc/06/94/42/553069442.db2.gz FFKCDBDXHGVPGQ-ZLBKBPMGSA-N 0 3 626.949 6.686 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000008596315 553089954 /nfs/dbraw/zinc/08/99/54/553089954.db2.gz UUGKEPVILHICLL-UHFFFAOYSA-N 0 3 589.756 5.810 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000008749382 553134863 /nfs/dbraw/zinc/13/48/63/553134863.db2.gz WSBIQQVSWDVMMP-CYEXUTLASA-N 0 3 604.839 7.663 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000008749387 553134892 /nfs/dbraw/zinc/13/48/92/553134892.db2.gz XVZJUSYOQZVBQP-KRFRYGLGSA-N 0 3 620.882 7.184 50 0 KKAAHN O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008869898 553171465 /nfs/dbraw/zinc/17/14/65/553171465.db2.gz PKWZTGLWJVJVEL-UHFFFAOYSA-N 0 3 517.677 5.790 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009015894 553200604 /nfs/dbraw/zinc/20/06/04/553200604.db2.gz XFSUGYGOOWZZBR-GBXYDCMPSA-N 0 3 508.624 5.666 50 0 KKAAHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2cc(OC)c(OC)cc2OC)Nc2ccccc2S3)cc1 ZINC000009291118 553234631 /nfs/dbraw/zinc/23/46/31/553234631.db2.gz FWYQXGXFJLDYGS-RUZDIDTESA-N 0 3 502.592 5.361 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000009433225 553263093 /nfs/dbraw/zinc/26/30/93/553263093.db2.gz YDXBHKORPNXBLF-WUFINQPMSA-N 0 3 501.696 5.249 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009496756 553274581 /nfs/dbraw/zinc/27/45/81/553274581.db2.gz ITEPLFRUJBXLTA-FQEVSTJZSA-N 0 3 506.391 5.796 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(N(C)C)cc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000009580977 553282046 /nfs/dbraw/zinc/28/20/46/553282046.db2.gz YFUIZRAKKSGMBB-XMMPIXPASA-N 0 3 500.566 5.032 50 0 KKAAHN O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1CC1CCCCC1)N1CCN(c2ccccc2F)CC1 ZINC000011783882 553342429 /nfs/dbraw/zinc/34/24/29/553342429.db2.gz PRZROZITEDRMAR-AMGIVPHBSA-N 0 3 521.706 5.166 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000011814514 553343534 /nfs/dbraw/zinc/34/35/34/553343534.db2.gz HSWPBJYYZORMMI-UHFFFAOYSA-N 0 3 505.709 5.432 50 0 KKAAHN COc1ccccc1CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@H](C)C1 ZINC000011910096 553348840 /nfs/dbraw/zinc/34/88/40/553348840.db2.gz AZIXVFZWCNGRIN-QFIPXVFZSA-N 0 3 516.638 5.061 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012191590 553353608 /nfs/dbraw/zinc/35/36/08/553353608.db2.gz NETWJYZJFALTNH-AREMUKBSSA-N 0 3 535.754 5.262 50 0 KKAAHN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)cc3n2)cc1 ZINC000012461956 553367110 /nfs/dbraw/zinc/36/71/10/553367110.db2.gz QYXDJGTURCUABR-UHFFFAOYSA-N 0 3 523.603 5.450 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000012876659 553424717 /nfs/dbraw/zinc/42/47/17/553424717.db2.gz KLOLLLOGPLUZFU-UHFFFAOYSA-N 0 3 504.590 5.506 50 0 biogenic KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013758673 553488562 /nfs/dbraw/zinc/48/85/62/553488562.db2.gz QYSPWHCQALCUAM-UBFVSLLYSA-N 0 3 505.357 6.305 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000013810885 553492472 /nfs/dbraw/zinc/49/24/72/553492472.db2.gz APJKPZYGRPGHCC-VSKRKVRLSA-N 0 3 513.775 5.162 50 0 KKAAHN O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccc(O)cc2)C1 ZINC000014746273 553520053 /nfs/dbraw/zinc/52/00/53/553520053.db2.gz ZDDMXQBVOUJZFN-BJKOFHAPSA-N 0 3 512.572 5.287 50 0 KKAAHN Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCN(C)C4)c2)OCCN(C(=O)Cc2ccc(F)cc2)C3)s1 ZINC000014996715 553524582 /nfs/dbraw/zinc/52/45/82/553524582.db2.gz OWTZSHGYDZQOGR-JOCHJYFZSA-N 0 3 508.659 5.547 50 0 KKAAHN C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 ZINC000014998720 553524593 /nfs/dbraw/zinc/52/45/93/553524593.db2.gz AWUMHVHXXLFJGT-FQEVSTJZSA-N 0 3 507.556 6.083 50 0 KKAAHN O=C(c1cc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccccc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305595 553531371 /nfs/dbraw/zinc/53/13/71/553531371.db2.gz OWUINTCBNUFMTE-LHHITDRRSA-N 0 3 521.709 5.756 50 0 KKAAHN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319046 553531472 /nfs/dbraw/zinc/53/14/72/553531472.db2.gz AJIOITYREKUSHL-RULLOFLBSA-N 0 3 531.598 5.409 50 0 KKAAHN Cc1ccc(NC(=O)c2c(NC(=O)CNCCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946072 553544389 /nfs/dbraw/zinc/54/43/89/553544389.db2.gz CYMYDNYYVCRHQS-QHCPKHFHSA-N 0 3 517.739 6.539 50 0 KKAAHN COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCOc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)cc1)N(C)CC2 ZINC000070664884 553595175 /nfs/dbraw/zinc/59/51/75/553595175.db2.gz KSGGQJQFYBWKMO-VSJLXWSYSA-N 0 3 638.805 6.680 50 0 biogenic KKAAHN CCCC1=Nc2cc(C(=O)NCCCN3CCN(C4CCCCC4)CC3)ccc2Sc2ccccc21 ZINC000020179016 553602786 /nfs/dbraw/zinc/60/27/86/553602786.db2.gz WHBYWBWQFMWUFO-UHFFFAOYSA-N 0 3 504.744 6.142 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCN4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000020355187 553640791 /nfs/dbraw/zinc/64/07/91/553640791.db2.gz AEWNPPTVLIFGOE-UCTFJTRWSA-N 0 3 509.650 5.566 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000020355313 553641088 /nfs/dbraw/zinc/64/10/88/553641088.db2.gz OQLSSIZQAWZVQM-AWSUPERCSA-N 0 3 535.688 6.052 50 0 KKAAHN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000021162742 553708926 /nfs/dbraw/zinc/70/89/26/553708926.db2.gz LBYBNOZRJFENIA-UHFFFAOYSA-N 0 3 521.709 5.390 50 0 KKAAHN COc1ccc(C(=O)[C@H](CCCC[C@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000095740219 553711627 /nfs/dbraw/zinc/71/16/27/553711627.db2.gz WZVXOSLRDCQYGW-LOYHVIPDSA-N 0 3 548.768 6.534 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CCCC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCC2)cc1 ZINC000095740193 553711640 /nfs/dbraw/zinc/71/16/40/553711640.db2.gz YQMUBMLHPKHBBP-AQOUDTPCSA-N 0 3 604.876 8.094 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@H](CC[C@H](CN2CCCCC2)C(=O)c2ccc(OCCCC)cc2)CN2CCCCC2)cc1 ZINC000095785653 553713415 /nfs/dbraw/zinc/71/34/15/553713415.db2.gz JCFZFJXVZYBZTM-KKLWWLSJSA-N 0 3 604.876 8.094 50 0 KKAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189813 553727197 /nfs/dbraw/zinc/72/71/97/553727197.db2.gz ZBOLDFALAJJQAG-UCGGBYDDSA-N 0 3 510.081 6.216 50 0 KKAAHN O[C@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022924966 553767135 /nfs/dbraw/zinc/76/71/35/553767135.db2.gz FQNIZHZPCDPSFY-PMERELPUSA-N 0 3 501.674 6.154 50 0 KKAAHN CCN1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000022947463 553768418 /nfs/dbraw/zinc/76/84/18/553768418.db2.gz SDTMUAXNMBDCMA-XHLNEMQHSA-N 0 3 561.151 5.387 50 0 KKAAHN O[C@@H](COc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000097944139 553768764 /nfs/dbraw/zinc/76/87/64/553768764.db2.gz HOBJQNDPHXNUGP-MAZIBIHTSA-N 0 3 616.802 6.571 50 0 KKAAHN CCCCCCC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023333989 553773593 /nfs/dbraw/zinc/77/35/93/553773593.db2.gz GKPKCKXJBWIZBW-UHFFFAOYSA-N 0 3 500.609 6.460 50 0 KKAAHN C[C@H](CC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)CC(C)(C)C ZINC000023429483 553775650 /nfs/dbraw/zinc/77/56/50/553775650.db2.gz UJEXKWLGBGQBFD-OAQYLSRUSA-N 0 3 528.663 6.952 50 0 KKAAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1ccccc1F ZINC000025142709 553793696 /nfs/dbraw/zinc/79/36/96/553793696.db2.gz QKGVQBYGZVDALF-UHFFFAOYSA-N 0 3 510.535 5.943 50 0 KKAAHN Cc1cccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)c1 ZINC000097949331 553801467 /nfs/dbraw/zinc/80/14/67/553801467.db2.gz XKEPNIAQVZPHRY-UHFFFAOYSA-N 0 3 544.537 6.699 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000097949342 553801680 /nfs/dbraw/zinc/80/16/80/553801680.db2.gz SCXOKRYRXXXEEK-QHAWAJNXSA-N 0 3 518.194 5.807 50 0 KKAAHN Brc1ccc(-c2nc3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000097949674 553802769 /nfs/dbraw/zinc/80/27/69/553802769.db2.gz IBPZSQBPLLJRCU-UHFFFAOYSA-N 0 3 535.489 6.971 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000097954041 553820833 /nfs/dbraw/zinc/82/08/33/553820833.db2.gz QIZQNSIJWGZAPB-QHAWAJNXSA-N 0 3 518.194 5.807 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000097954468 553823554 /nfs/dbraw/zinc/82/35/54/553823554.db2.gz SXWCNTMBKSVPGS-VJGNERBWSA-N 0 3 504.558 5.454 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000097955062 553827899 /nfs/dbraw/zinc/82/78/99/553827899.db2.gz HEIXCPSUDITZCJ-QHAWAJNXSA-N 0 3 517.301 5.519 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956779 553841781 /nfs/dbraw/zinc/84/17/81/553841781.db2.gz QUEXHOQOACIPAS-KRWDZBQOSA-N 0 3 525.310 6.019 50 0 KKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(Cc3c(C)ccc4ccccc43)CC2)c1-c1ccc(F)cc1 ZINC000032929404 553876467 /nfs/dbraw/zinc/87/64/67/553876467.db2.gz RDORFIQGMYDOHZ-UHFFFAOYSA-N 0 3 521.684 6.925 50 0 KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963594 553892200 /nfs/dbraw/zinc/89/22/00/553892200.db2.gz UBPQUJGUFJFJTN-UHFFFAOYSA-N 0 3 555.722 5.162 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033252319 553913891 /nfs/dbraw/zinc/91/38/91/553913891.db2.gz WMGCXBUJQREFMR-UHFFFAOYSA-N 0 3 506.075 5.251 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671709 553982464 /nfs/dbraw/zinc/98/24/64/553982464.db2.gz UABWLVIVSKWJTJ-LQJZCPKCSA-N 0 3 522.664 6.756 50 0 KKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCc4cccc(F)c4)cc3[C@H]2c2ccccc2)c1 ZINC000034671853 553982454 /nfs/dbraw/zinc/98/24/54/553982454.db2.gz JGCONOBZURGCRR-NRUKRWIHSA-N 0 3 508.637 6.366 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671611 553982475 /nfs/dbraw/zinc/98/24/75/553982475.db2.gz AXSHSLGNMFARCU-LQJZCPKCSA-N 0 3 519.689 6.054 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671624 553982631 /nfs/dbraw/zinc/98/26/31/553982631.db2.gz AXSHSLGNMFARCU-CZNDPXEESA-N 0 3 519.689 6.054 50 0 KKAAHN Cc1ccc(C(=O)N(C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698697 553991671 /nfs/dbraw/zinc/99/16/71/553991671.db2.gz AVKSALOHMDYIGJ-LBNVMWSVSA-N 0 3 512.591 6.919 50 0 KKAAHN Cc1cc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000034699130 553991860 /nfs/dbraw/zinc/99/18/60/553991860.db2.gz HTDMDWOPRKQETE-YWEHKCAJSA-N 0 3 530.606 7.068 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699120 553992020 /nfs/dbraw/zinc/99/20/20/553992020.db2.gz XFOAKDYXTUUMFD-WNCULLNHSA-N 0 3 515.595 6.197 50 0 KKAAHN Cc1cc([C@H]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716675 553995713 /nfs/dbraw/zinc/99/57/13/553995713.db2.gz VPGIDMQPCKRJFS-GOTSBHOMSA-N 0 3 518.982 6.728 50 0 KKAAHN CN(C)CCNC(=O)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(F)cc2)n1 ZINC000034771828 554003794 /nfs/dbraw/zinc/00/37/94/554003794.db2.gz RBFCUIIJJHCWKV-UHFFFAOYSA-N 0 3 530.713 5.798 50 0 KKAAHN Cc1ccc(C(=O)N2CCCN(C(=O)CCN3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830232 554014876 /nfs/dbraw/zinc/01/48/76/554014876.db2.gz FXLFMUCVTSVBQR-LJAQVGFWSA-N 0 3 501.696 5.077 50 0 KKAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034830157 554014938 /nfs/dbraw/zinc/01/49/38/554014938.db2.gz CTPFBMUCGTVGCK-DJUQAAIZSA-N 0 3 507.744 5.424 50 0 KKAAHN Cc1ccccc1C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034830267 554015205 /nfs/dbraw/zinc/01/52/05/554015205.db2.gz PQDBPBCIWVBSMH-BTYSJIOQSA-N 0 3 501.696 5.076 50 0 KKAAHN Cc1ccccc1C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000034830266 554015303 /nfs/dbraw/zinc/01/53/03/554015303.db2.gz PQDBPBCIWVBSMH-RNWIMVQKSA-N 0 3 501.696 5.076 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833906 554018579 /nfs/dbraw/zinc/01/85/79/554018579.db2.gz YRYSTFJKEUIYPO-UHFFFAOYSA-N 0 3 505.597 5.597 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn2c(n1)CC[C@@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898950 554023938 /nfs/dbraw/zinc/02/39/38/554023938.db2.gz FZAQUBVCPCGPHX-AREMUKBSSA-N 0 3 506.650 5.800 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000098000152 554048757 /nfs/dbraw/zinc/04/87/57/554048757.db2.gz GUJNKBADFJYEPG-UBFVSLLYSA-N 0 3 584.253 7.067 50 0 KKAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCCN5CCCC[C@@H]5C)CC4)ccc3o2)cc1 ZINC000035454644 554055704 /nfs/dbraw/zinc/05/57/04/554055704.db2.gz MHDRXGOVDKXBQJ-XZOQPEGZSA-N 0 3 516.686 5.282 50 0 KKAAHN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)cc3n2)cc1 ZINC000098005772 554058582 /nfs/dbraw/zinc/05/85/82/554058582.db2.gz UPJJXDJTPWIULJ-UHFFFAOYSA-N 0 3 539.602 5.150 50 0 KKAAHN C[C@@H](c1ccccc1)N1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035577087 554061449 /nfs/dbraw/zinc/06/14/49/554061449.db2.gz DQUUZYUBXGZDLW-IBGZPJMESA-N 0 3 511.580 5.226 50 0 KKAAHN COc1cc(OC)cc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035768431 554072283 /nfs/dbraw/zinc/07/22/83/554072283.db2.gz MLWWAWTWTGLEJI-GDLZYMKVSA-N 0 3 529.656 5.580 50 0 KKAAHN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccccc2F)c1C ZINC000098011319 554079780 /nfs/dbraw/zinc/07/97/80/554079780.db2.gz DOOUVCNGWYGENF-WJOKGBTCSA-N 0 3 571.722 5.142 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000035848053 554083575 /nfs/dbraw/zinc/08/35/75/554083575.db2.gz DZRIKHROLQXSLL-NJDAHSKKSA-N 0 3 507.295 6.063 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000098011784 554084159 /nfs/dbraw/zinc/08/41/59/554084159.db2.gz BRFUANJYZFBMTC-HKBQPEDESA-N 0 3 553.732 5.003 50 0 KKAAHN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1cccc(C)c1C ZINC000098012336 554089789 /nfs/dbraw/zinc/08/97/89/554089789.db2.gz XZCQUIUZSFVCHM-YTTGMZPUSA-N 0 3 583.758 5.012 50 0 KKAAHN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925697 554097821 /nfs/dbraw/zinc/09/78/21/554097821.db2.gz MPSUBKUJQXIHCT-UHFFFAOYSA-N 0 3 508.592 5.745 50 0 KKAAHN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(C3CCCCC3)CC1)nc2-c1ccc(F)cc1 ZINC000035930083 554101723 /nfs/dbraw/zinc/10/17/23/554101723.db2.gz FXCCBSCDSKUPGR-UHFFFAOYSA-N 0 3 506.029 5.312 50 0 KKAAHN Cc1ccc(Cl)cc1-n1c(SCc2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)nnc1-c1ccccc1Cl ZINC000098017669 554109609 /nfs/dbraw/zinc/10/96/09/554109609.db2.gz WKNUPLVTUNDIST-UHFFFAOYSA-N 0 3 649.673 7.693 50 0 KKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(Cc3c(C)ccc4ccccc43)CC2)c1-c1ccc(Cl)cc1 ZINC000098048089 554159507 /nfs/dbraw/zinc/15/95/07/554159507.db2.gz TXUCVXGBECMFTD-UHFFFAOYSA-N 0 3 538.139 7.439 50 0 KKAAHN CN(C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(Oc3ccccc3)c2)n1 ZINC000036068767 554165872 /nfs/dbraw/zinc/16/58/72/554165872.db2.gz KRUQMIOJYZIAHB-UHFFFAOYSA-N 0 3 502.590 5.100 50 0 KKAAHN CS(=O)(=O)c1ccc(CN(C(=O)c2cc(Cl)nc(Cl)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000100001479 554177479 /nfs/dbraw/zinc/17/74/79/554177479.db2.gz NHWVNSPWOLUJSA-UHFFFAOYSA-N 0 3 532.493 5.099 50 0 KKAAHN COCCCOc1cc(C[C@@H](C[C@H](NCc2ccccc2)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC ZINC000100049650 554194369 /nfs/dbraw/zinc/19/43/69/554194369.db2.gz VKRISSPATUPHFJ-NUISNXNRSA-N 0 3 525.730 6.061 50 0 KKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036302051 554211679 /nfs/dbraw/zinc/21/16/79/554211679.db2.gz UAXRSEWQUQEUOH-YWEHKCAJSA-N 0 3 529.681 6.160 50 0 KKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036301746 554211727 /nfs/dbraw/zinc/21/17/27/554211727.db2.gz GVYXTFCBYNRAON-XMMPIXPASA-N 0 3 500.083 6.260 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036303970 554213822 /nfs/dbraw/zinc/21/38/22/554213822.db2.gz UIXDGXAVUWETIS-SANMLTNESA-N 0 3 505.609 6.313 50 0 KKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@H](O)COc3ccccc3C)c(-c3ccccc3)nn2C)c1 ZINC000036305285 554215448 /nfs/dbraw/zinc/21/54/48/554215448.db2.gz JTEGOQLYQMSDOM-SANMLTNESA-N 0 3 529.681 6.094 50 0 KKAAHN Cc1cccc(Oc2c(CN(C[C@H](O)COCc3ccco3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306554 554215899 /nfs/dbraw/zinc/21/58/99/554215899.db2.gz LNHLEGSYSUIFOV-VWLOTQADSA-N 0 3 501.627 5.571 50 0 KKAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@H](O)COCc1ccccc1 ZINC000036313066 554218892 /nfs/dbraw/zinc/21/88/92/554218892.db2.gz DIFHZIUDXDUUFQ-SQHAQQRYSA-N 0 3 507.675 5.137 50 0 KKAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@H](O)COCc1ccccc1 ZINC000036313067 554218980 /nfs/dbraw/zinc/21/89/80/554218980.db2.gz DIFHZIUDXDUUFQ-IGKIAQTJSA-N 0 3 507.675 5.137 50 0 KKAAHN CC[C@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccccc1 ZINC000037277358 554233311 /nfs/dbraw/zinc/23/33/11/554233311.db2.gz LIZFMKUSISNGPG-LJAQVGFWSA-N 0 3 530.757 5.446 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C(F)(F)F)cc1)NCCN1CCCC1 ZINC000037380620 554237460 /nfs/dbraw/zinc/23/74/60/554237460.db2.gz JWJJCVTWHFUVEQ-HHHXNRCGSA-N 0 3 519.611 6.442 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000038148193 554270476 /nfs/dbraw/zinc/27/04/76/554270476.db2.gz IIQSJHUEZBTSAT-VMPREFPWSA-N 0 3 608.735 6.859 50 0 biogenic,in-vitro KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000049766990 554325582 /nfs/dbraw/zinc/32/55/82/554325582.db2.gz HRKFJRCDWJUEPA-QHCPKHFHSA-N 0 3 631.412 7.068 50 0 KKAAHN CCOc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc(OCC)c1OCC ZINC000055533090 554350736 /nfs/dbraw/zinc/35/07/36/554350736.db2.gz BGNINWMCDZJBEY-UHFFFAOYSA-N 0 3 503.643 5.457 50 0 KKAAHN CCOC(CN(C)[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)c1ccc(OC)c(OCc2ccccc2)c1)OCC ZINC000100818476 554478672 /nfs/dbraw/zinc/47/86/72/554478672.db2.gz OAMNGNQWYXUGQN-JGCGQSQUSA-N 0 3 599.768 7.477 50 0 KKAAHN COc1ccc([C@H](c2c(C)[nH]c3ccccc32)N2CCN([C@H](c3c(C)[nH]c4ccccc43)c3ccc(OC)cc3)CC2)cc1 ZINC000100868768 554497439 /nfs/dbraw/zinc/49/74/39/554497439.db2.gz YPTZLBMZADCDLD-MAZIBIHTSA-N 0 3 584.764 7.780 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000060209771 554503712 /nfs/dbraw/zinc/50/37/12/554503712.db2.gz RIIHHMRKZILSGD-UHFFFAOYSA-N 0 3 549.162 5.503 50 0 KKAAHN O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 ZINC000100927866 554524950 /nfs/dbraw/zinc/52/49/50/554524950.db2.gz XCXCTADEDYBQGZ-MUUFRUSVSA-N 0 3 512.997 5.094 50 0 KKAAHN O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000100927862 554524973 /nfs/dbraw/zinc/52/49/73/554524973.db2.gz XCXCTADEDYBQGZ-COMWGTSQSA-N 0 3 512.997 5.094 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997823 554538043 /nfs/dbraw/zinc/53/80/43/554538043.db2.gz VXASWNCNDAMJFB-CLJLJLNGSA-N 0 3 636.023 6.902 50 0 KKAAHN O[C@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997821 554538106 /nfs/dbraw/zinc/53/81/06/554538106.db2.gz VXASWNCNDAMJFB-UIOOFZCWSA-N 0 3 636.023 6.902 50 0 KKAAHN CCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009611 554557180 /nfs/dbraw/zinc/55/71/80/554557180.db2.gz RADVIKCJDOXKSC-IOWSJCHKSA-N 0 3 571.718 5.184 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101023794 554562696 /nfs/dbraw/zinc/56/26/96/554562696.db2.gz FNDYDIKFWGWYQF-XAEBNIDXSA-N 0 3 536.628 5.292 50 0 KKAAHN CN(C)CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1 ZINC000101052662 554568937 /nfs/dbraw/zinc/56/89/37/554568937.db2.gz GUPDVZLLUIXNLT-UHFFFAOYSA-N 0 3 570.015 5.854 50 0 KKAAHN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1ccc(Cl)cc1Cl ZINC000101070648 554574994 /nfs/dbraw/zinc/57/49/94/554574994.db2.gz QHONSMPLHQZFEO-FPOVZHCZSA-N 0 3 515.194 5.538 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101091114 554582187 /nfs/dbraw/zinc/58/21/87/554582187.db2.gz AWTMRMZOPKALKI-NLDZOOGBSA-N 0 3 534.568 5.274 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000101126463 554645709 /nfs/dbraw/zinc/64/57/09/554645709.db2.gz RGMSCIUEXKEGHY-BHIFYINESA-N 0 3 545.444 5.818 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101231990 554689491 /nfs/dbraw/zinc/68/94/91/554689491.db2.gz APJKPZYGRPGHCC-BDTNDASRSA-N 0 3 513.775 5.162 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386112 554750955 /nfs/dbraw/zinc/75/09/55/554750955.db2.gz ROIRYERHUJQZFL-SYBRLPANSA-N 0 3 612.771 6.348 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386110 554750991 /nfs/dbraw/zinc/75/09/91/554750991.db2.gz ROIRYERHUJQZFL-VCTRWQRLSA-N 0 3 612.771 6.348 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)cc1 ZINC000101386157 554751154 /nfs/dbraw/zinc/75/11/54/554751154.db2.gz IGWFBYWUICWPQV-PDDLMNHVSA-N 0 3 542.724 5.709 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)cc1 ZINC000101386156 554751282 /nfs/dbraw/zinc/75/12/82/554751282.db2.gz IGWFBYWUICWPQV-VIZCGCQYSA-N 0 3 542.724 5.709 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386149 554751289 /nfs/dbraw/zinc/75/12/89/554751289.db2.gz ZQXVFZVLCKCNRN-JOMNFKBKSA-N 0 3 555.767 5.766 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386192 554751448 /nfs/dbraw/zinc/75/14/48/554751448.db2.gz PILWNZMOVUEQJX-QGRQJHSQSA-N 0 3 622.829 7.802 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2 ZINC000101406970 554762195 /nfs/dbraw/zinc/76/21/95/554762195.db2.gz YDBKIQPKQSPWBG-JOCHJYFZSA-N 0 3 539.623 6.231 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637390 554813354 /nfs/dbraw/zinc/81/33/54/554813354.db2.gz DPJLLSSNIAYHQV-BGDIREAQSA-N 0 3 620.794 6.443 50 0 KKAAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1c(Cl)cc(Cl)cc1Cl ZINC000101661561 554821848 /nfs/dbraw/zinc/82/18/48/554821848.db2.gz UQPSGVLKICGTFJ-UHFFFAOYSA-N 0 3 595.880 7.764 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N(C)Cc2ccsc2)CC1 ZINC000101757987 554836272 /nfs/dbraw/zinc/83/62/72/554836272.db2.gz SNALUWNOVLQQAQ-LMSSTIIKSA-N 0 3 581.226 5.862 50 0 KKAAHN COc1ccccc1-c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000101904429 554848267 /nfs/dbraw/zinc/84/82/67/554848267.db2.gz OJWKJPNTMQIDDL-UHFFFAOYSA-N 0 3 552.078 6.120 50 0 KKAAHN COc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(CN(C)Cc5ccc6ncccc6c5)cc4)CC3)o2)cc1 ZINC000102114992 554882862 /nfs/dbraw/zinc/88/28/62/554882862.db2.gz WWNLTEKZRJMBDG-UHFFFAOYSA-N 0 3 561.682 6.819 50 0 KKAAHN COc1cc(CN2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000102143566 554888894 /nfs/dbraw/zinc/88/88/94/554888894.db2.gz PNIKLBBJXAAJED-FUFSCUOVSA-N 0 3 558.616 6.628 50 0 KKAAHN COc1cc(CN2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000102143562 554888955 /nfs/dbraw/zinc/88/89/55/554888955.db2.gz PNIKLBBJXAAJED-PWUYWRBVSA-N 0 3 558.616 6.628 50 0 KKAAHN COc1ccc2ccccc2c1CN[C@@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000102170752 554891444 /nfs/dbraw/zinc/89/14/44/554891444.db2.gz XIJJZISRTRXFSE-UHSQPCAPSA-N 0 3 572.105 5.322 50 0 KKAAHN COc1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000102222708 554899357 /nfs/dbraw/zinc/89/93/57/554899357.db2.gz DYAXVRUNUJEMGB-XJFCNFDWSA-N 0 3 595.744 5.948 50 0 KKAAHN O=C([C@@H]1C[C@H](Sc2ccccn2)CN1C/C(Cl)=C/c1ccccc1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000102413327 554924036 /nfs/dbraw/zinc/92/40/36/554924036.db2.gz GOTJCWCVDFIFPU-TWCJHMAHSA-N 0 3 577.238 5.865 50 0 KKAAHN CN(Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102449894 554931216 /nfs/dbraw/zinc/93/12/16/554931216.db2.gz NZSWZRNNFVKBDZ-UHFFFAOYSA-N 0 3 542.126 5.814 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102552573 554962755 /nfs/dbraw/zinc/96/27/55/554962755.db2.gz BBOHAIIIDKKKOY-IARZGTGTSA-N 0 3 556.521 5.244 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000102561479 554968219 /nfs/dbraw/zinc/96/82/19/554968219.db2.gz FQGSVNRQXHCQSE-CTMYTVLESA-N 0 3 563.028 6.644 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102562526 554968594 /nfs/dbraw/zinc/96/85/94/554968594.db2.gz ZDHMENHNRNTZHL-ZONZVBGPSA-N 0 3 561.015 5.159 50 0 KKAAHN CN(Cc1ccc(OC2CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102592925 554974424 /nfs/dbraw/zinc/97/44/24/554974424.db2.gz ABLSAEDFRIFMQA-UHFFFAOYSA-N 0 3 559.685 7.357 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000102618504 554985519 /nfs/dbraw/zinc/98/55/19/554985519.db2.gz YXZDDCHXXFNTIS-UZNNEEJFSA-N 0 3 596.791 5.943 50 0 KKAAHN COc1cc(CN2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000102663608 555001198 /nfs/dbraw/zinc/00/11/98/555001198.db2.gz FPEDYRLYOQPEPJ-JYFHCDHNSA-N 0 3 544.589 6.325 50 0 KKAAHN O=C1c2cccc(N3CCN([C@H]4CCc5ccccc5C4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000102673344 555002795 /nfs/dbraw/zinc/00/27/95/555002795.db2.gz AJSVTTMOBOHOFK-VWLOTQADSA-N 0 3 534.685 5.286 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C1=O ZINC000102727316 555022376 /nfs/dbraw/zinc/02/23/76/555022376.db2.gz XECHRCZXJANQFM-TZRRMPRUSA-N 0 3 504.373 5.901 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102740126 555029157 /nfs/dbraw/zinc/02/91/57/555029157.db2.gz VEBFZECWXXXTMH-ZONZVBGPSA-N 0 3 521.013 5.969 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1 ZINC000102745007 555036345 /nfs/dbraw/zinc/03/63/45/555036345.db2.gz WOROXRRIVKNXOH-VABKMULXSA-N 0 3 605.272 5.033 50 0 KKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000102751521 555044546 /nfs/dbraw/zinc/04/45/46/555044546.db2.gz YBRGIXYXKSSPOO-OZNIXHKMSA-N 0 3 504.542 5.265 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000102752264 555044795 /nfs/dbraw/zinc/04/47/95/555044795.db2.gz BXVYQPYEAARMPL-SXOMAYOGSA-N 0 3 567.715 5.107 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000102752265 555044887 /nfs/dbraw/zinc/04/48/87/555044887.db2.gz BXVYQPYEAARMPL-RRPNLBNLSA-N 0 3 567.715 5.107 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000102753860 555045717 /nfs/dbraw/zinc/04/57/17/555045717.db2.gz WTJIPHOSJJPFAA-GMQQYTKMSA-N 0 3 549.410 6.703 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@@H]3C2=O)cc1 ZINC000102758454 555050328 /nfs/dbraw/zinc/05/03/28/555050328.db2.gz WYYYTXNFYZOAJH-KKUQBAQOSA-N 0 3 519.384 6.613 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102758882 555050878 /nfs/dbraw/zinc/05/08/78/555050878.db2.gz OATLEPQUFIVYPC-YPAWHYETSA-N 0 3 513.775 5.162 50 0 KKAAHN CC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102761055 555052518 /nfs/dbraw/zinc/05/25/18/555052518.db2.gz DTRNDXUFWWURGR-IDZRBWSNSA-N 0 3 518.569 5.519 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000102763008 555053690 /nfs/dbraw/zinc/05/36/90/555053690.db2.gz MENVRHRUVZKQLR-DSNGMDLFSA-N 0 3 537.410 5.298 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000102768423 555056182 /nfs/dbraw/zinc/05/61/82/555056182.db2.gz ZAFDJCICHZAOBI-OYUWMTPXSA-N 0 3 515.396 6.712 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102780073 555065335 /nfs/dbraw/zinc/06/53/35/555065335.db2.gz CLLZPIUZJCWBOZ-MJHSOURCSA-N 0 3 532.109 6.234 50 0 KKAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3)CC1 ZINC000102784694 555067236 /nfs/dbraw/zinc/06/72/36/555067236.db2.gz JOHAPJLGHIJMJQ-UHFFFAOYSA-N 0 3 549.140 5.409 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102866345 555095557 /nfs/dbraw/zinc/09/55/57/555095557.db2.gz XDLGDMKLZCIDCX-NLDZOOGBSA-N 0 3 552.558 5.413 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102868513 555097938 /nfs/dbraw/zinc/09/79/38/555097938.db2.gz HPNZLCQQRNYUOT-SSBOKUKZSA-N 0 3 555.417 7.458 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102888442 555121529 /nfs/dbraw/zinc/12/15/29/555121529.db2.gz KOCHPUKKFCJRIZ-WKLUVDBGSA-N 0 3 550.655 5.682 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102888446 555121884 /nfs/dbraw/zinc/12/18/84/555121884.db2.gz KOCHPUKKFCJRIZ-MNFIMQGSSA-N 0 3 550.655 5.682 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102892647 555129068 /nfs/dbraw/zinc/12/90/68/555129068.db2.gz MNGDKBFIEHHTNZ-DSNGMDLFSA-N 0 3 574.247 7.611 50 0 KKAAHN COc1ccc(CN(CCN(C)C)C(=O)c2ccccc2F)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103075553 555255211 /nfs/dbraw/zinc/25/52/11/555255211.db2.gz SXSVYOUWBIFHCC-UHFFFAOYSA-N 0 3 555.455 5.113 50 0 KKAAHN COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000103089590 555268498 /nfs/dbraw/zinc/26/84/98/555268498.db2.gz CFQOEZYXNPMYCT-NDEPHWFRSA-N 0 3 596.178 5.110 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NCCN3CCCC3)C[C@H](OCc3ccc(C(F)(F)F)cc3)[C@@H]2O1 ZINC000103124818 555292758 /nfs/dbraw/zinc/29/27/58/555292758.db2.gz INXHYBTWUGNQAK-DEJVGURISA-N 0 3 594.646 5.211 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3ccccc3F)(C(=O)NCCN3CCCC3)C[C@@H](OCc3ccc(C(F)(F)F)cc3)[C@@H]2O1 ZINC000103124821 555292780 /nfs/dbraw/zinc/29/27/80/555292780.db2.gz INXHYBTWUGNQAK-KMFVSHEXSA-N 0 3 594.646 5.211 50 0 KKAAHN CN(C)CCNC(=O)c1coc(CN(CCc2c[nH]c3ccccc23)Cc2cccc(Oc3ccccc3)c2)n1 ZINC000103269518 555348720 /nfs/dbraw/zinc/34/87/20/555348720.db2.gz XTQKWOPCFCPFOP-UHFFFAOYSA-N 0 3 537.664 5.485 50 0 KKAAHN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103420673 555401136 /nfs/dbraw/zinc/40/11/36/555401136.db2.gz QEDWBELVRNWPNG-DHUJRADRSA-N 0 3 571.765 7.311 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103523668 555427582 /nfs/dbraw/zinc/42/75/82/555427582.db2.gz QEIGNHXEFMNDAG-GBXYDCMPSA-N 0 3 543.069 6.319 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103534089 555434438 /nfs/dbraw/zinc/43/44/38/555434438.db2.gz GNKJRLMXOWXUNH-NBJHOTSESA-N 0 3 549.001 6.335 50 0 KKAAHN COc1ccc(-c2ccc(C(=O)N(C)Cc3csc(C)n3)c(N3CCC(N4CCc5ccccc5C4)CC3)n2)cc1 ZINC000102342546 562813204 /nfs/dbraw/zinc/81/32/04/562813204.db2.gz AGIPXQVALHCESH-UHFFFAOYSA-N 0 3 567.759 5.821 50 0 KKAAHN CN1CCN(C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)CN4CCN(C)CC4)c(Br)c3)cc2Br)CC1 ZINC000150477112 562843468 /nfs/dbraw/zinc/84/34/68/562843468.db2.gz ZRCYESYLJMBTMQ-ZEQRLZLVSA-N 0 3 856.333 5.037 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@H]([C@@H]4NCCc5ccccc54)C(=O)[C@H]3n3cncn3)c2)cc1 ZINC000248198435 562881639 /nfs/dbraw/zinc/88/16/39/562881639.db2.gz SFFJARIKISDPGV-QGAYDTHSSA-N 0 3 534.660 5.738 50 0 KKAAHN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104920869 571387942 /nfs/dbraw/zinc/38/79/42/571387942.db2.gz XCNDMYKLQOKWQU-AOYPEHQESA-N 0 3 513.629 5.031 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000105795886 571408723 /nfs/dbraw/zinc/40/87/23/571408723.db2.gz YPNBMVQWNKQRHU-JFHPUIQFSA-N 0 3 596.611 5.893 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000105795274 571408740 /nfs/dbraw/zinc/40/87/40/571408740.db2.gz CQUVIFAURCHYJI-OJDZSJEKSA-N 0 3 578.621 5.754 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000106015059 571410288 /nfs/dbraw/zinc/41/02/88/571410288.db2.gz XFELALQDBMLPHO-OIFRRMEBSA-N 0 3 584.650 5.294 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)cc1 ZINC000106014579 571410343 /nfs/dbraw/zinc/41/03/43/571410343.db2.gz ODEHUGNLBCBGRS-OZNIXHKMSA-N 0 3 563.437 7.093 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000106018075 571410508 /nfs/dbraw/zinc/41/05/08/571410508.db2.gz FBSHMUUKVBFUCM-UPRLRBBYSA-N 0 3 555.428 6.079 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106020208 571410874 /nfs/dbraw/zinc/41/08/74/571410874.db2.gz ULZKVTIAJPOSSB-IDZRBWSNSA-N 0 3 599.481 6.478 50 0 KKAAHN CCN(CC)CCOc1c(I)cc(C(=O)c2c[nH]c3ccccc23)cc1I ZINC000108795976 571426622 /nfs/dbraw/zinc/42/66/22/571426622.db2.gz PFPZMBZZTOSRBO-UHFFFAOYSA-N 0 3 588.227 5.329 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OC ZINC000136183002 571449206 /nfs/dbraw/zinc/44/92/06/571449206.db2.gz HIOGIZPYTOEBLB-UPRLRBBYSA-N 0 3 516.594 5.324 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000136633695 571449595 /nfs/dbraw/zinc/44/95/95/571449595.db2.gz KJVIXBVZEXEVAM-PWRODBHTSA-N 0 3 508.188 6.351 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000136631040 571449619 /nfs/dbraw/zinc/44/96/19/571449619.db2.gz RLCNXIWLOUMWJM-QKNQBKEWSA-N 0 3 508.188 6.351 50 0 KKAAHN CCCOc1ccc(CN2CCC([C@@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3N(C)C)CC2)cc1 ZINC000136976350 571449908 /nfs/dbraw/zinc/44/99/08/571449908.db2.gz PJJKXSDGYHFCJG-HKBQPEDESA-N 0 3 572.668 6.597 50 0 KKAAHN CCCC[C@H]1Oc2ccccc2[C@H]1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000150339755 571457684 /nfs/dbraw/zinc/45/76/84/571457684.db2.gz YOBBAFJNSYRSGE-DHIUTWEWSA-N 0 3 647.335 6.534 50 0 KKAAHN O=C(Oc1ccc(C([O-])=C(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000150362587 571464010 /nfs/dbraw/zinc/46/40/10/571464010.db2.gz VRTHGOXJQXSJGT-WJOKGBTCSA-N 0 3 747.241 10.895 50 0 KKAAHN O=C(Oc1ccc(C(=O)C(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000150362587 571464014 /nfs/dbraw/zinc/46/40/14/571464014.db2.gz VRTHGOXJQXSJGT-WJOKGBTCSA-N 0 3 747.241 10.895 50 0 KKAAHN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150388999 571471361 /nfs/dbraw/zinc/47/13/61/571471361.db2.gz WEMNHRSRDDRGDP-UHFFFAOYSA-N 0 3 651.766 9.852 50 0 KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1OC ZINC000150389030 571471460 /nfs/dbraw/zinc/47/14/60/571471460.db2.gz OFBVFVXLYUVGJR-UHFFFAOYSA-N 0 3 655.710 8.571 50 0 KKAAHN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4Cl)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150389179 571471561 /nfs/dbraw/zinc/47/15/61/571471561.db2.gz DECFOTGZLRIGIB-NTCAYCPXSA-N 0 3 670.168 9.916 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(OC)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389199 571471687 /nfs/dbraw/zinc/47/16/87/571471687.db2.gz CWXWVZKRLMTDRS-DEDYPNTBSA-N 0 3 665.749 9.298 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389272 571471696 /nfs/dbraw/zinc/47/16/96/571471696.db2.gz PGRSPQHWJZDOLD-WOJGMQOQSA-N 0 3 698.222 10.596 50 0 KKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2c(Br)cc(Br)cc2Br)c1 ZINC000150463022 571506992 /nfs/dbraw/zinc/50/69/92/571506992.db2.gz IIEZYEINZDLLTM-DEOSSOPVSA-N 0 3 651.193 7.287 50 0 biogenic KKAAHN COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCN(C[C@H](O)Cn3c(-c4ccc(OC)cc4)cc4ccccc43)CC2)cc1 ZINC000150479490 571511813 /nfs/dbraw/zinc/51/18/13/571511813.db2.gz JGRPNZJSUKYMOG-HEVIKAOCSA-N 0 3 644.816 5.987 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000150661364 571527374 /nfs/dbraw/zinc/52/73/74/571527374.db2.gz MVJZENSCQPGAAN-GMQQYTKMSA-N 0 3 640.670 5.290 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)c(C(=O)OC)c1C ZINC000150661365 571527384 /nfs/dbraw/zinc/52/73/84/571527384.db2.gz MVJZENSCQPGAAN-KWXIBIRDSA-N 0 3 640.670 5.290 50 0 KKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000158988158 571529934 /nfs/dbraw/zinc/52/99/34/571529934.db2.gz NSLBTBGUFUPTCR-CLJLJLNGSA-N 0 3 759.370 7.774 50 0 KKAAHN O=C1C[C@@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000169349950 571553299 /nfs/dbraw/zinc/55/32/99/571553299.db2.gz XCXCTADEDYBQGZ-HXVUFMGFSA-N 0 3 512.997 5.094 50 0 KKAAHN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000170620900 571562634 /nfs/dbraw/zinc/56/26/34/571562634.db2.gz QTIPIEDCOGDDPQ-BHDDXSALSA-N 0 3 530.886 5.197 50 0 KKAAHN Fc1cccc(Cl)c1Cn1nc(CNCCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261491673 572110439 /nfs/dbraw/zinc/11/04/39/572110439.db2.gz BXVGNWVZTITFOY-UHFFFAOYSA-N 0 3 535.052 5.034 50 0 KKAAHN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585779 572120608 /nfs/dbraw/zinc/12/06/08/572120608.db2.gz MINXMYCTIBZHJO-UPDCLGQQSA-N 0 3 648.845 5.070 50 0 KKAAHN O=c1ccc2ccc(OCCCCn3c(=O)ccc4ccc(OCCCCN5CCN(c6cccc7sccc76)CC5)cc43)cc2[nH]1 ZINC000263635669 572132603 /nfs/dbraw/zinc/13/26/03/572132603.db2.gz ASMZGKYPXIZKIZ-UHFFFAOYSA-N 0 3 648.829 7.310 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)CCC2 ZINC000299771504 572135428 /nfs/dbraw/zinc/13/54/28/572135428.db2.gz PPCXZPQLVLVUOL-GMCHKSTQSA-N 0 3 591.722 6.021 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226815475 572142115 /nfs/dbraw/zinc/14/21/15/572142115.db2.gz WESRLCLWSYRRLZ-JIMJEQGWSA-N 0 3 506.986 5.579 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000226831448 572142784 /nfs/dbraw/zinc/14/27/84/572142784.db2.gz JNBDVLHASKLWEB-PCCBWWKXSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000226931916 572145979 /nfs/dbraw/zinc/14/59/79/572145979.db2.gz WCOFXYXKDHFUEJ-PCCBWWKXSA-N 0 3 518.194 5.807 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000227018263 572146844 /nfs/dbraw/zinc/14/68/44/572146844.db2.gz CQUVIFAURCHYJI-RWSKJCERSA-N 0 3 578.621 5.754 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(F)cc5)o4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000227070565 572149072 /nfs/dbraw/zinc/14/90/72/572149072.db2.gz JODYNDBBHOQHEG-CCDWMCETSA-N 0 3 604.612 5.470 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccccc1I ZINC000227070861 572149148 /nfs/dbraw/zinc/14/91/48/572149148.db2.gz FDJLEYGRIBCKQC-CCDWMCETSA-N 0 3 631.253 6.909 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(F)cc5)o4)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000229868646 572163151 /nfs/dbraw/zinc/16/31/51/572163151.db2.gz XADVKYJPWGMYDS-GGGCIOHNSA-N 0 3 628.722 7.136 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000229882711 572165281 /nfs/dbraw/zinc/16/52/81/572165281.db2.gz IEVKQGODKUBHKW-RSRGSJRXSA-N 0 3 664.780 6.956 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000229934964 572171254 /nfs/dbraw/zinc/17/12/54/572171254.db2.gz DHGOHVNIBQWKDW-SXEIHZRZSA-N 0 3 562.663 5.876 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000229940587 572171735 /nfs/dbraw/zinc/17/17/35/572171735.db2.gz JKEBFQKITFQNHM-ZGIBFIJWSA-N 0 3 565.423 6.913 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000229940587 572171737 /nfs/dbraw/zinc/17/17/37/572171737.db2.gz JKEBFQKITFQNHM-ZGIBFIJWSA-N 0 3 565.423 6.913 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cc(Br)ccc4OC)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000229949577 572173142 /nfs/dbraw/zinc/17/31/42/572173142.db2.gz SKWSTHUBXPHTHA-KKFZJUPQSA-N 0 3 653.595 6.508 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000230000771 572177630 /nfs/dbraw/zinc/17/76/30/572177630.db2.gz QIZQNSIJWGZAPB-PWRODBHTSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000230030155 572180012 /nfs/dbraw/zinc/18/00/12/572180012.db2.gz SCXOKRYRXXXEEK-PWRODBHTSA-N 0 3 518.194 5.807 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000230057227 572181708 /nfs/dbraw/zinc/18/17/08/572181708.db2.gz YXZMETQFKGFUTE-RBZQAINGSA-N 0 3 507.384 5.289 50 0 KKAAHN CN(C)[C@H](CN(C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccco1 ZINC000245225345 572202379 /nfs/dbraw/zinc/20/23/79/572202379.db2.gz SPNBKVUSSNSXEI-SXZSRNETSA-N 0 3 562.751 5.095 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000245228530 572205440 /nfs/dbraw/zinc/20/54/40/572205440.db2.gz JGNGLITYQVEAHL-FXZLDBAYSA-N 0 3 570.803 5.997 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000245241753 572216255 /nfs/dbraw/zinc/21/62/55/572216255.db2.gz ODXIADHJUOJQLU-YPAWHYETSA-N 0 3 545.444 5.900 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245245198 572217219 /nfs/dbraw/zinc/21/72/19/572217219.db2.gz BNIOAGSFSYMSRP-DYIKCSJPSA-N 0 3 564.594 5.364 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245245590 572217769 /nfs/dbraw/zinc/21/77/69/572217769.db2.gz DSEIGPOPWRCJTQ-UODPJZIASA-N 0 3 599.539 7.610 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245245590 572217773 /nfs/dbraw/zinc/21/77/73/572217773.db2.gz DSEIGPOPWRCJTQ-UODPJZIASA-N 0 3 599.539 7.610 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)cc1 ZINC000245246795 572219929 /nfs/dbraw/zinc/21/99/29/572219929.db2.gz ODEHUGNLBCBGRS-JCYYIGJDSA-N 0 3 563.437 7.093 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000245246853 572220230 /nfs/dbraw/zinc/22/02/30/572220230.db2.gz PTDBYXRJBFKEMT-QSFFNLKPSA-N 0 3 590.767 6.459 50 0 KKAAHN COc1cc(CN2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000245279512 572224084 /nfs/dbraw/zinc/22/40/84/572224084.db2.gz GQFCRXRYAJLBCZ-HOFKKMOUSA-N 0 3 512.572 5.992 50 0 KKAAHN CC(C)N(C[C@@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245279054 572224264 /nfs/dbraw/zinc/22/42/64/572224264.db2.gz BANXZYFKGPGFNK-NVQXNPDNSA-N 0 3 501.568 5.949 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245309989 572228170 /nfs/dbraw/zinc/22/81/70/572228170.db2.gz GQBTWXTZAZMSLV-JCYYIGJDSA-N 0 3 510.977 5.970 50 0 KKAAHN CCCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245311355 572229348 /nfs/dbraw/zinc/22/93/48/572229348.db2.gz NWLXEDGWYHCHDE-JCYYIGJDSA-N 0 3 516.594 5.411 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245311634 572229420 /nfs/dbraw/zinc/22/94/20/572229420.db2.gz PHZGVBIVILFIRP-SSBOKUKZSA-N 0 3 518.569 5.519 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(Br)ccc4OC)[C@H]3C2=O)cc1 ZINC000245312086 572229737 /nfs/dbraw/zinc/22/97/37/572229737.db2.gz SCCKIMDCSYGQJK-UBFVSLLYSA-N 0 3 537.410 5.298 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245312040 572229852 /nfs/dbraw/zinc/22/98/52/572229852.db2.gz RXRRNGSZPYTQOJ-NXNJFABFSA-N 0 3 503.385 5.556 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc5ccccc5nc4Cl)[C@H]3C2=O)cc1 ZINC000245325938 572231898 /nfs/dbraw/zinc/23/18/98/572231898.db2.gz HZSICYNQWBCOCM-TWJOJJKGSA-N 0 3 513.981 5.728 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000245343313 572238094 /nfs/dbraw/zinc/23/80/94/572238094.db2.gz LRLFKNQGLFKLBZ-UHSQPCAPSA-N 0 3 576.625 8.047 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C1=O ZINC000247813402 572245576 /nfs/dbraw/zinc/24/55/76/572245576.db2.gz ATNWEVGNFUJBPF-BHIFYINESA-N 0 3 502.876 5.598 50 0 KKAAHN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247846350 572246104 /nfs/dbraw/zinc/24/61/04/572246104.db2.gz HGLZNIXDIKSBFG-SSEXGKCCSA-N 0 3 648.649 6.934 50 0 KKAAHN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247894701 572248767 /nfs/dbraw/zinc/24/87/67/572248767.db2.gz OCURNWWJNVRTRC-XIFFEERXSA-N 0 3 613.806 6.239 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248340637 572258436 /nfs/dbraw/zinc/25/84/36/572258436.db2.gz VFFRXJDXMHLXLI-AOFBEVEVSA-N 0 3 541.607 5.336 50 0 KKAAHN C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)C[C@H](C)N1Cc1ccccc1 ZINC000253604368 572300795 /nfs/dbraw/zinc/30/07/95/572300795.db2.gz UENGATVDXBEDDZ-UWPQIUOOSA-N 0 3 570.181 6.071 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101856447 1069820859 /nfs/dbraw/zinc/82/08/59/1069820859.db2.gz ZBIJYGKQNNZRCE-PMERELPUSA-N 0 3 562.758 6.788 50 0 KKAAHN CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734104 1069836807 /nfs/dbraw/zinc/83/68/07/1069836807.db2.gz XKLRAYLCHHZTLR-FOYYQAIFSA-N 0 3 592.780 6.626 50 0 KKAAHN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000248270229 1069850798 /nfs/dbraw/zinc/85/07/98/1069850798.db2.gz PVORPPZFOCAFCM-JWLWIDMJSA-N 0 3 511.021 6.054 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000102229163 1069851071 /nfs/dbraw/zinc/85/10/71/1069851071.db2.gz QMOJNCKOGMUTAA-MUUNZHRXSA-N 0 3 545.687 5.984 50 0 KKAAHN O=C([C@@H]1C[C@@H](NCc2cc(F)ccc2F)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299790929 1071049705 /nfs/dbraw/zinc/04/97/05/1071049705.db2.gz CFFRKTZGSWZXMG-NAKRPHOHSA-N 0 3 558.595 5.065 50 0 KKAAHN COc1cccc(Cn2c(=O)c(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)cc3ccc(F)cc32)c1 ZINC000012041186 1071235039 /nfs/dbraw/zinc/23/50/39/1071235039.db2.gz NZVJPHJXPRTDNK-UHFFFAOYSA-N 0 3 540.557 5.700 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(C)cccc1C ZINC000001788035 551701122 /nfs/dbraw/zinc/70/11/22/551701122.db2.gz JVXGDZNXWZNKSE-YTTGMZPUSA-N 0 3 518.657 7.186 50 0 biogenic KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001869201 551719080 /nfs/dbraw/zinc/71/90/80/551719080.db2.gz FUWAYZYFEKSGHJ-OCBJUFRSSA-N 0 3 589.475 7.022 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000001890554 551726485 /nfs/dbraw/zinc/72/64/85/551726485.db2.gz YVTFFVFKFYNBFH-IWWXRALLSA-N 0 3 588.591 6.258 50 0 KKAAHN O=C1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)cc3)N12 ZINC000002157692 551780093 /nfs/dbraw/zinc/78/00/93/551780093.db2.gz QCGKJFANOUDJNU-NYDCQLBNSA-N 0 3 553.106 5.418 50 0 biogenic KKAAHN COc1ccccc1N(C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002203037 551793031 /nfs/dbraw/zinc/79/30/31/551793031.db2.gz RJRLQVROPIDMOO-NDEPHWFRSA-N 0 3 530.690 5.262 50 0 KKAAHN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002759420 552182005 /nfs/dbraw/zinc/18/20/05/552182005.db2.gz LUNWDGPWPZIJRK-UHFFFAOYSA-N 0 3 514.467 6.367 50 0 KKAAHN COc1ccc(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)cc1COc1ccccc1Br ZINC000002784699 552189714 /nfs/dbraw/zinc/18/97/14/552189714.db2.gz UUEPVNIJFLHEGW-UHFFFAOYSA-N 0 3 563.496 6.125 50 0 KKAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000002857252 552202676 /nfs/dbraw/zinc/20/26/76/552202676.db2.gz JYOWYHBLJBCTSL-SANMLTNESA-N 0 3 502.998 5.522 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967785 552238543 /nfs/dbraw/zinc/23/85/43/552238543.db2.gz KPBFGTCZLONSCL-BJKOFHAPSA-N 0 3 559.717 5.126 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062634 552283456 /nfs/dbraw/zinc/28/34/56/552283456.db2.gz GOPSKIDWPPBPST-PFQJNYNCSA-N 0 3 515.654 5.720 50 0 KKAAHN CC(C)c1ccccc1-n1c(=S)n(CN(C)C2CCN(C)CC2)nc1-c1ccc(Cl)cc1Cl ZINC000003243694 552319705 /nfs/dbraw/zinc/31/97/05/552319705.db2.gz ZSCGZIUMWGXQNY-UHFFFAOYSA-N 0 3 504.531 6.484 50 0 KKAAHN CCN(CC)CCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 ZINC000003352326 552367662 /nfs/dbraw/zinc/36/76/62/552367662.db2.gz HRIXJCRZLCDDNC-UHFFFAOYSA-N 0 3 501.048 5.234 50 0 KKAAHN CN1C(=O)/C(=C\c2ccccc2F)Sc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000003588409 552392116 /nfs/dbraw/zinc/39/21/16/552392116.db2.gz UPHBAQPHYSVJSX-OVVQPSECSA-N 0 3 501.627 5.330 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](CN(CC)CC)C(=O)c2ccc(OCCCC)cc2)CN(CC)CC)cc1 ZINC000006480877 552593680 /nfs/dbraw/zinc/59/36/80/552593680.db2.gz QUZFUSBGTMHCMG-ACHIHNKUSA-N 0 3 580.854 7.806 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3nc3c2CCCC3)cc1OC ZINC000008591357 553082478 /nfs/dbraw/zinc/08/24/78/553082478.db2.gz UWOISKIAQMNKSU-UHFFFAOYSA-N 0 3 518.013 6.789 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000008749364 553134907 /nfs/dbraw/zinc/13/49/07/553134907.db2.gz OICWGDKCYXFDBU-KAODMTDESA-N 0 3 592.784 6.747 50 0 KKAAHN COc1ccc(C(=O)[C@H](C[C@H](CN2CCCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCCC2)cc1 ZINC000009067751 553206426 /nfs/dbraw/zinc/20/64/26/553206426.db2.gz BVUMFDFVOZVFKR-FQLXRVMXSA-N 0 3 534.741 6.144 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000009282023 553233583 /nfs/dbraw/zinc/23/35/83/553233583.db2.gz NVILDXNSTJZWOP-PFBJBMPXSA-N 0 3 508.505 5.096 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009433226 553263085 /nfs/dbraw/zinc/26/30/85/553263085.db2.gz YDXBHKORPNXBLF-NSOVKSMOSA-N 0 3 501.696 5.249 50 0 KKAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433693 553263326 /nfs/dbraw/zinc/26/33/26/553263326.db2.gz HPUUZLKCBMJUKJ-URLMMPGGSA-N 0 3 531.722 6.125 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433569 553263353 /nfs/dbraw/zinc/26/33/53/553263353.db2.gz DREGXDDIMRKLTI-URLMMPGGSA-N 0 3 513.707 5.752 50 0 KKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccco1)c1c3nc(COc4ccccc4)nn3cnc1O2 ZINC000009488245 553273034 /nfs/dbraw/zinc/27/30/34/553273034.db2.gz FIGFYZCVTCGYJB-HSZRJFAPSA-N 0 3 510.941 5.730 50 0 KKAAHN Cc1nn2c(nc(C)c(CCC(=O)NCCN3CCC(Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000009609450 553287941 /nfs/dbraw/zinc/28/79/41/553287941.db2.gz HYSYRJIIAJWGRR-UHFFFAOYSA-N 0 3 527.688 5.464 50 0 KKAAHN COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCN3CCC(Cc4ccccc4)CC3)c(C)n2n1 ZINC000009609750 553288152 /nfs/dbraw/zinc/28/81/52/553288152.db2.gz KDQDVLMAXVCZPN-UHFFFAOYSA-N 0 3 525.697 5.025 50 0 KKAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4-c4ccc(C)cc4)c3C)cc2)CC1 ZINC000009610227 553288308 /nfs/dbraw/zinc/28/83/08/553288308.db2.gz FKHSLDMUBGDTEQ-UHFFFAOYSA-N 0 3 510.686 5.367 50 0 KKAAHN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3C4=C(CCCC4)C(=O)N3C[C@@H]3CCCO3)CCC[C@]21C ZINC000009678884 553295743 /nfs/dbraw/zinc/29/57/43/553295743.db2.gz BEEWXJLOUGNKKP-PUBSWHNPSA-N 0 3 504.759 6.628 50 0 KKAAHN O=C1CCCc2c1c1cc(CN3CCCCC3)ccc1n2CCN(Cc1ccccc1)Cc1ccccc1 ZINC000009761154 553302887 /nfs/dbraw/zinc/30/28/87/553302887.db2.gz HORALVKPCRKEEY-UHFFFAOYSA-N 0 3 505.706 6.849 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000011859561 553346426 /nfs/dbraw/zinc/34/64/26/553346426.db2.gz NDOMFXDRSADJGA-NJDAHSKKSA-N 0 3 504.411 5.358 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012037633 553350470 /nfs/dbraw/zinc/35/04/70/553350470.db2.gz TZOZTUWVJXSDRW-UHFFFAOYSA-N 0 3 524.683 5.905 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cn3ccccc3n2)c1)Cc1cccc2cccnc21 ZINC000012151266 553352492 /nfs/dbraw/zinc/35/24/92/553352492.db2.gz HBBHKOAZCVXDBH-MUUNZHRXSA-N 0 3 533.676 5.978 50 0 KKAAHN C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCN(CC(c4ccccc4)c4ccccc4)CC3)c2C1=O ZINC000012149702 553352498 /nfs/dbraw/zinc/35/24/98/553352498.db2.gz MIVPDCFSAGZUOC-JOCHJYFZSA-N 0 3 522.674 5.454 50 0 KKAAHN Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2cccc(CN(C)Cc3ccc4ncccc4c3)c2)C1 ZINC000012151868 553352515 /nfs/dbraw/zinc/35/25/15/553352515.db2.gz ITONSCGIAQEFFE-AREMUKBSSA-N 0 3 512.654 5.332 50 0 KKAAHN C[C@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@H](c1cccs1)N1CCCC1 ZINC000012498110 553382014 /nfs/dbraw/zinc/38/20/14/553382014.db2.gz QTFXBQOZVSBZQK-JPQMRUPTSA-N 0 3 517.698 7.586 50 0 KKAAHN C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@@H](c1cccs1)N1CCCC1 ZINC000012498115 553382022 /nfs/dbraw/zinc/38/20/22/553382022.db2.gz QTFXBQOZVSBZQK-HEIROHQZSA-N 0 3 517.698 7.586 50 0 KKAAHN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000013555919 553471149 /nfs/dbraw/zinc/47/11/49/553471149.db2.gz HENYEGFOULUSQH-QFIPXVFZSA-N 0 3 510.941 5.826 50 0 KKAAHN O=C(Cc1ccc(F)cc1)N1CCC[C@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014976012 553523217 /nfs/dbraw/zinc/52/32/17/553523217.db2.gz GMPNYXMBQXJTTB-MHZLTWQESA-N 0 3 500.658 6.065 50 0 KKAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319717 553531712 /nfs/dbraw/zinc/53/17/12/553531712.db2.gz SMXGJCRSRYGRBF-XZNUUDFLSA-N 0 3 531.598 5.409 50 0 KKAAHN c1ccc([C@H]2CC(c3ccc(C4=NN(c5ccccc5)[C@H](c5ccccc5)C4)cc3)=NN2c2ccccc2)cc1 ZINC000016671566 553571456 /nfs/dbraw/zinc/57/14/56/553571456.db2.gz HUDFQTTYMSMMGU-TYHGNQNSSA-N 0 3 518.664 8.398 50 0 KKAAHN CCN(CC)CC(=O)Nc1c(C)cc(C2(c3cc(C)c(NC(=O)CN(CC)CC)c(C)c3)CCCCC2)cc1C ZINC000016676053 553571677 /nfs/dbraw/zinc/57/16/77/553571677.db2.gz YFTNOKVNNXCIIE-UHFFFAOYSA-N 0 3 548.816 6.731 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000017889582 553600276 /nfs/dbraw/zinc/60/02/76/553600276.db2.gz JMXJJWRHEJZENI-NXCFDTQHSA-N 0 3 506.986 5.579 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018128302 553605689 /nfs/dbraw/zinc/60/56/89/553605689.db2.gz JWKRFLWMYGXAHP-NHKHRBQYSA-N 0 3 530.621 5.714 50 0 KKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000018145728 553606313 /nfs/dbraw/zinc/60/63/13/553606313.db2.gz YSNVCRQLJRUZRP-ZRBLBEILSA-N 0 3 511.803 5.770 50 0 KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000020242443 553627281 /nfs/dbraw/zinc/62/72/81/553627281.db2.gz TXTASJUTNZLQPO-QNGWXLTQSA-N 0 3 521.658 5.005 50 0 KKAAHN CC[C@@H](NC(=O)Nc1ccc(Br)c(C)c1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020386552 553644037 /nfs/dbraw/zinc/64/40/37/553644037.db2.gz BWHDYMIKMBCTFH-HXUWFJFHSA-N 0 3 501.494 6.261 50 0 KKAAHN CC1=C2C[C@@H]3[C@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412835 553647406 /nfs/dbraw/zinc/64/74/06/553647406.db2.gz GTWYLOFMZBQMMT-FDCUTXSFSA-N 0 3 520.664 6.130 50 0 biogenic KKAAHN Cc1nn2c(nc(C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000020478358 553657333 /nfs/dbraw/zinc/65/73/33/553657333.db2.gz FAZATNQAGSHZRT-UHFFFAOYSA-N 0 3 508.069 6.578 50 0 KKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(Cc3c(C)ccc4ccccc43)CC2)c1-c1ccccc1 ZINC000020478143 553657460 /nfs/dbraw/zinc/65/74/60/553657460.db2.gz UGFHHZXQAIKGHR-UHFFFAOYSA-N 0 3 503.694 6.786 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000079183281 553666391 /nfs/dbraw/zinc/66/63/91/553666391.db2.gz FUZMQNZACIFDBL-IHLOFXLRSA-N 0 3 652.788 7.171 50 0 biogenic,in-vitro KKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612096 553679726 /nfs/dbraw/zinc/67/97/26/553679726.db2.gz UPYWLQWRUNUSPT-WRZLIUBLSA-N 0 3 517.113 6.281 50 0 biogenic KKAAHN COc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000085888966 553690364 /nfs/dbraw/zinc/69/03/64/553690364.db2.gz WSLYRMOORJFTQF-SSEXGKCCSA-N 0 3 727.291 8.857 50 0 biogenic KKAAHN CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3N(C)C2=O)cc1OC ZINC000020736059 553693808 /nfs/dbraw/zinc/69/38/08/553693808.db2.gz JNFNMCMRLZTKHR-TURZUDJPSA-N 0 3 535.710 5.294 50 0 KKAAHN O[C@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@@H](O)C[C@@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000095742839 553712433 /nfs/dbraw/zinc/71/24/33/553712433.db2.gz NFKZAYGAZSLISU-RDXDNIQESA-N 0 3 767.400 8.019 50 0 KKAAHN CCCOc1ccc(C(=O)[C@@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCC2)cc1 ZINC000095785616 553713223 /nfs/dbraw/zinc/71/32/23/553713223.db2.gz QTPUABBGOFNODG-ACHIHNKUSA-N 0 3 576.822 7.314 50 0 KKAAHN CCOC(=O)c1c(NC(=O)CNC[C@H](c2ccccc2)N(C)C)sc(Br)c1-c1ccccc1 ZINC000022037697 553723304 /nfs/dbraw/zinc/72/33/04/553723304.db2.gz JDWXXGVRTHXOHP-LJQANCHMSA-N 0 3 530.488 5.185 50 0 KKAAHN CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN(C)C)C(=O)Cc2ccccc2)cc1 ZINC000096211464 553729912 /nfs/dbraw/zinc/72/99/12/553729912.db2.gz GNECLRPNEPWQFN-UHFFFAOYSA-N 0 3 523.681 5.234 50 0 KKAAHN Cn1cc([C@H](CC(=O)NCCN2CCCC2)c2cccc(Oc3ccc(Cl)cc3)c2)c2ccccc21 ZINC000096275531 553732532 /nfs/dbraw/zinc/73/25/32/553732532.db2.gz PGNJGTPMHZSYHS-HHHXNRCGSA-N 0 3 502.058 6.358 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000022795952 553750780 /nfs/dbraw/zinc/75/07/80/553750780.db2.gz JSINNAXMFTZUHV-FTJBHMTQSA-N 0 3 601.578 6.249 50 0 KKAAHN O=C(CCC1CCCC1)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023336588 553774475 /nfs/dbraw/zinc/77/44/75/553774475.db2.gz UZEBAGAVWRJBDP-UHFFFAOYSA-N 0 3 512.620 6.460 50 0 KKAAHN c1nn(-c2ccccc2)c2nc(N3CCCCC3)nc(N3CCN(C4c5ccccc5-c5ccccc54)CC3)c12 ZINC000025809863 553814510 /nfs/dbraw/zinc/81/45/10/553814510.db2.gz DKUUIWDCRSCZPH-UHFFFAOYSA-N 0 3 527.676 5.698 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000097954267 553822619 /nfs/dbraw/zinc/82/26/19/553822619.db2.gz AEFDWUVQUGACEF-NHKHRBQYSA-N 0 3 534.568 5.274 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954743 553824950 /nfs/dbraw/zinc/82/49/50/553824950.db2.gz VRNAWRRLTGUUOX-UBFVSLLYSA-N 0 3 523.347 6.444 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000097954708 553824974 /nfs/dbraw/zinc/82/49/74/553824974.db2.gz JNBDVLHASKLWEB-QHAWAJNXSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954805 553825669 /nfs/dbraw/zinc/82/56/69/553825669.db2.gz KMBZLXQMZZLFQE-UBFVSLLYSA-N 0 3 533.353 5.899 50 0 KKAAHN COc1ccc(C(=O)Nc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000029747347 553846998 /nfs/dbraw/zinc/84/69/98/553846998.db2.gz DHVVTTMKURFHSW-OFSOJUDTSA-N 0 3 631.777 5.127 50 0 KKAAHN O[C@@H](COc1ccccc1)CN(CCN(C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353344 553924826 /nfs/dbraw/zinc/92/48/26/553924826.db2.gz BMNASIGFPCNXFN-ZRKBJOGQSA-N 0 3 692.900 8.049 50 0 KKAAHN CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(CN2CCCC2)c1 ZINC000097973074 553968261 /nfs/dbraw/zinc/96/82/61/553968261.db2.gz CLTWNWVTOBHGEJ-UWXQCODUSA-N 0 3 589.820 8.985 50 0 KKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCc4cccc(F)c4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671851 553982429 /nfs/dbraw/zinc/98/24/29/553982429.db2.gz JGCONOBZURGCRR-BNHRFMORSA-N 0 3 508.637 6.366 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671779 553982560 /nfs/dbraw/zinc/98/25/60/553982560.db2.gz NUKYPGXWXORPRV-NOCHOARKSA-N 0 3 518.701 6.925 50 0 KKAAHN O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000034685562 553986969 /nfs/dbraw/zinc/98/69/69/553986969.db2.gz CXPHXTMJGUBBCI-GMCHKSTQSA-N 0 3 522.645 5.915 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](c2ccccc2)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034697680 553991130 /nfs/dbraw/zinc/99/11/30/553991130.db2.gz BFUDEVFTBRJZIS-HOFKKMOUSA-N 0 3 511.563 5.523 50 0 KKAAHN Cc1ccc(C(=O)N(C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698698 553991487 /nfs/dbraw/zinc/99/14/87/553991487.db2.gz AVKSALOHMDYIGJ-LEAFIULHSA-N 0 3 512.591 6.919 50 0 KKAAHN Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(C2CCN(Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034725984 553997049 /nfs/dbraw/zinc/99/70/49/553997049.db2.gz HGJCQDMMHFDFLS-UHFFFAOYSA-N 0 3 514.636 5.489 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000034729561 553997031 /nfs/dbraw/zinc/99/70/31/553997031.db2.gz QLMINIUNKRJGMU-UHFFFAOYSA-N 0 3 519.089 5.267 50 0 KKAAHN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034830124 554014445 /nfs/dbraw/zinc/01/44/45/554014445.db2.gz JPOOTSDVFNVPJE-ZTOMLWHTSA-N 0 3 501.696 5.021 50 0 KKAAHN CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830247 554014727 /nfs/dbraw/zinc/01/47/27/554014727.db2.gz MIOIMFUAKFSCJR-OUTSHDOLSA-N 0 3 509.760 5.671 50 0 KKAAHN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3n2)cc1OC ZINC000098005100 554056901 /nfs/dbraw/zinc/05/69/01/554056901.db2.gz CDRISLIZTXQXLD-UHFFFAOYSA-N 0 3 569.628 5.159 50 0 KKAAHN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005763 554058240 /nfs/dbraw/zinc/05/82/40/554058240.db2.gz KTDVPYJNXXCJQB-UHFFFAOYSA-N 0 3 542.671 5.466 50 0 KKAAHN COc1cc(OC)cc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035768432 554072174 /nfs/dbraw/zinc/07/21/74/554072174.db2.gz MLWWAWTWTGLEJI-LJAQVGFWSA-N 0 3 529.656 5.580 50 0 KKAAHN CC(C)(C)c1ccc(Cn2cccc2CN(C[C@H](O)COCc2ccccc2)CC2CCCCC2)cc1 ZINC000035840717 554080402 /nfs/dbraw/zinc/08/04/02/554080402.db2.gz DSDCJVXYGNFFOM-YTTGMZPUSA-N 0 3 502.743 6.794 50 0 KKAAHN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)C(C)C ZINC000035842603 554081127 /nfs/dbraw/zinc/08/11/27/554081127.db2.gz HZKZHBPVVRKOIZ-PMERELPUSA-N 0 3 521.746 5.392 50 0 KKAAHN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000035891979 554090907 /nfs/dbraw/zinc/09/09/07/554090907.db2.gz FOQDGKPFGJLQIQ-XMMPIXPASA-N 0 3 506.477 6.778 50 0 KKAAHN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000035908058 554092348 /nfs/dbraw/zinc/09/23/48/554092348.db2.gz XCNDMYKLQOKWQU-AHWVRZQESA-N 0 3 513.629 5.031 50 0 KKAAHN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(Cc4cccc(C)c4)CC3)n2)cc1 ZINC000035927823 554101174 /nfs/dbraw/zinc/10/11/74/554101174.db2.gz DXIVBQYANQXURI-UHFFFAOYSA-N 0 3 502.666 5.735 50 0 KKAAHN CCOC(=O)CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000098020074 554116563 /nfs/dbraw/zinc/11/65/63/554116563.db2.gz GGSRVBGQXWSWJL-UHFFFAOYSA-N 0 3 546.539 6.347 50 0 KKAAHN O=C(c1cc(-c2ccccn2)nc2ccc(Br)cc21)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098042737 554121712 /nfs/dbraw/zinc/12/17/12/554121712.db2.gz OILHKJLAFCFETP-UHFFFAOYSA-N 0 3 531.498 5.786 50 0 KKAAHN COc1ccccc1-c1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c2cc(Br)ccc2n1 ZINC000098042738 554121858 /nfs/dbraw/zinc/12/18/58/554121858.db2.gz BVUXGCNZSOSTMJ-UHFFFAOYSA-N 0 3 560.536 6.400 50 0 KKAAHN COc1ccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042723 554121868 /nfs/dbraw/zinc/12/18/68/554121868.db2.gz ITPNFUPVQQDQGY-UHFFFAOYSA-N 0 3 560.536 6.400 50 0 KKAAHN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)CNC(c3ccccc3)c3ccccc3)cc21 ZINC000098045245 554131259 /nfs/dbraw/zinc/13/12/59/554131259.db2.gz VUTNZUYSTIXPOS-GDLZYMKVSA-N 0 3 548.683 6.294 50 0 KKAAHN Cc1ccc(CSc2nnc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3ccccc3F)s2)cc1 ZINC000098046934 554145136 /nfs/dbraw/zinc/14/51/36/554145136.db2.gz YVQUJRWOKZECKU-QHCPKHFHSA-N 0 3 529.618 6.443 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(C)c2)cc1 ZINC000036049464 554155514 /nfs/dbraw/zinc/15/55/14/554155514.db2.gz RGXBRWCPICOXCO-UHFFFAOYSA-N 0 3 509.654 5.107 50 0 KKAAHN COCCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)cc1 ZINC000036202831 554200633 /nfs/dbraw/zinc/20/06/33/554200633.db2.gz LWAKAQBOWXCBQP-UHFFFAOYSA-N 0 3 515.650 5.928 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036303982 554213720 /nfs/dbraw/zinc/21/37/20/554213720.db2.gz UMDSXBYOFNWKPS-HSZRJFAPSA-N 0 3 501.618 5.885 50 0 KKAAHN Cc1cccc(Oc2c(CN(C[C@@H](O)COc3ccccc3C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306573 554215907 /nfs/dbraw/zinc/21/59/07/554215907.db2.gz VJIVAKBLVRFKIZ-HHHXNRCGSA-N 0 3 511.666 6.148 50 0 KKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036306627 554215915 /nfs/dbraw/zinc/21/59/15/554215915.db2.gz XBIAAOTXVYFJPU-AREMUKBSSA-N 0 3 517.645 6.054 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COCc2ccco2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307282 554216439 /nfs/dbraw/zinc/21/64/39/554216439.db2.gz OAJPBJDNVYUPCY-DEOSSOPVSA-N 0 3 505.590 5.401 50 0 KKAAHN Nc1c2c(nn1-c1ccccc1Cl)nc(NCCN1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376250 554235309 /nfs/dbraw/zinc/23/53/09/554235309.db2.gz XOZWJDZDSSYTMQ-UHFFFAOYSA-N 0 3 500.409 5.408 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037524383 554250320 /nfs/dbraw/zinc/25/03/20/554250320.db2.gz JOXAZIBYPQVCCB-RPLLCQBOSA-N 0 3 510.600 6.127 50 0 KKAAHN O=C(NCCN1CCCC1)c1cc2sc(Br)cc2n1Cc1ccc(Br)cc1 ZINC000037588245 554253364 /nfs/dbraw/zinc/25/33/64/554253364.db2.gz YEVNQCPNNDJWPL-UHFFFAOYSA-N 0 3 511.283 5.102 50 0 KKAAHN O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000049763177 554325447 /nfs/dbraw/zinc/32/54/47/554325447.db2.gz QREJVTUHQUFUBX-QFIPXVFZSA-N 0 3 651.330 5.182 50 0 KKAAHN O[C@@H](COc1ccc(OC[C@@H](O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000049763202 554325455 /nfs/dbraw/zinc/32/54/55/554325455.db2.gz GXJZUJYXQQSZAJ-AQOUDTPCSA-N 0 3 722.930 5.941 50 0 KKAAHN CC(C)N(CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)Cc1ccccc1 ZINC000053371778 554348104 /nfs/dbraw/zinc/34/81/04/554348104.db2.gz MTYXOPDWTUXEPC-VQJSHJPSSA-N 0 3 586.157 6.308 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1nc2ccc(C)cc2s1 ZINC000060209673 554503404 /nfs/dbraw/zinc/50/34/04/554503404.db2.gz HZLFMSZMYGRRET-UHFFFAOYSA-N 0 3 550.750 5.809 50 0 KKAAHN COc1ccc([C@H]2CC(=O)[C@@H]([C@H]3NCCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927463 554524720 /nfs/dbraw/zinc/52/47/20/554524720.db2.gz ZQUBRKJSKNTGGQ-OCFYOKIWSA-N 0 3 528.958 5.675 50 0 KKAAHN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CNCCc3ccccc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000100948522 554536737 /nfs/dbraw/zinc/53/67/37/554536737.db2.gz ZBGQGWFREMQLLS-HXUWFJFHSA-N 0 3 568.581 6.685 50 0 KKAAHN O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997809 554538115 /nfs/dbraw/zinc/53/81/15/554538115.db2.gz GGRFXCGOSHLLEF-UIOOFZCWSA-N 0 3 670.468 7.556 50 0 KKAAHN COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2 ZINC000068014383 554538184 /nfs/dbraw/zinc/53/81/84/554538184.db2.gz AHJUHHDDCJQACA-UHFFFAOYSA-N 0 3 688.741 5.323 50 0 in-vivo KKAAHN CCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009606 554557210 /nfs/dbraw/zinc/55/72/10/554557210.db2.gz RADVIKCJDOXKSC-FIRIVFDPSA-N 0 3 571.718 5.184 50 0 KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2ccccc2Cl)SCC1=O ZINC000101050672 554568701 /nfs/dbraw/zinc/56/87/01/554568701.db2.gz NRBGTYDVTVBPFK-LJAQVGFWSA-N 0 3 578.113 5.179 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101084561 554580279 /nfs/dbraw/zinc/58/02/79/554580279.db2.gz INWYHPSPQCSFKE-DSNGMDLFSA-N 0 3 584.253 7.067 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101152999 554657814 /nfs/dbraw/zinc/65/78/14/554657814.db2.gz AZTWLJFHYAFNLG-PFBJBMPXSA-N 0 3 524.960 5.610 50 0 KKAAHN CCOc1cc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc(OCC)c1OCC ZINC000101193466 554671577 /nfs/dbraw/zinc/67/15/77/554671577.db2.gz RNAJWIWGKXNATP-UHFFFAOYSA-N 0 3 585.701 7.323 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101201791 554672727 /nfs/dbraw/zinc/67/27/27/554672727.db2.gz LKDPKYSTNRLRGA-NLDZOOGBSA-N 0 3 508.574 5.688 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101208720 554677856 /nfs/dbraw/zinc/67/78/56/554677856.db2.gz QEIGNHXEFMNDAG-XHHBKWMTSA-N 0 3 543.069 6.319 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254651 554695244 /nfs/dbraw/zinc/69/52/44/554695244.db2.gz QBBSIPIANAFSFY-RUZDIDTESA-N 0 3 543.133 5.192 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000101359443 554741557 /nfs/dbraw/zinc/74/15/57/554741557.db2.gz HWNDGFQPGNFMEN-CKXMCULTSA-N 0 3 531.637 5.698 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101360986 554742473 /nfs/dbraw/zinc/74/24/73/554742473.db2.gz UZAVEVBWGKVKHW-HEFUCBFLSA-N 0 3 544.582 5.690 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386220 554751376 /nfs/dbraw/zinc/75/13/76/554751376.db2.gz WSBIQQVSWDVMMP-ZJJOJAIXSA-N 0 3 604.839 7.663 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386219 554751388 /nfs/dbraw/zinc/75/13/88/554751388.db2.gz WSBIQQVSWDVMMP-NQVJXQQZSA-N 0 3 604.839 7.663 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386181 554751484 /nfs/dbraw/zinc/75/14/84/554751484.db2.gz LDWYSZQCVJPLQB-ZQAZVOLISA-N 0 3 593.772 6.142 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386232 554751529 /nfs/dbraw/zinc/75/15/29/554751529.db2.gz TYYREJHFKQVTIJ-YTWZBVJHSA-N 0 3 622.810 6.755 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386239 554751725 /nfs/dbraw/zinc/75/17/25/554751725.db2.gz XVKPUBUOGCGNQE-MFACQUFMSA-N 0 3 605.827 6.804 50 0 KKAAHN COc1ccc(OC)c(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CCN([C@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000101421868 554767330 /nfs/dbraw/zinc/76/73/30/554767330.db2.gz FDPHPIOEKSUATJ-SANMLTNESA-N 0 3 583.758 5.174 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000101454806 554776781 /nfs/dbraw/zinc/77/67/81/554776781.db2.gz XOYBGXGUFMKZED-LDLOPFEMSA-N 0 3 549.712 5.785 50 0 KKAAHN CC(=O)Nc1c2c(C)c(C)sc2n2c1C(=O)N(CCCN1CCCCC1)[C@@](C)(C(=O)NC1CCCCCC1)C2 ZINC000101489739 554785789 /nfs/dbraw/zinc/78/57/89/554785789.db2.gz VPYVLJJWAZVEAY-SSEXGKCCSA-N 0 3 555.789 5.208 50 0 KKAAHN CCN1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cc(C)ccc4C)C3=O)cc2)CC1 ZINC000101507232 554791199 /nfs/dbraw/zinc/79/11/99/554791199.db2.gz GROGGJMCBGIGCN-AWSUPERCSA-N 0 3 568.787 5.741 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000101617986 554806430 /nfs/dbraw/zinc/80/64/30/554806430.db2.gz DQWOZLGJVALEIT-WXKJZWBCSA-N 0 3 558.792 5.710 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101636873 554813147 /nfs/dbraw/zinc/81/31/47/554813147.db2.gz DWERBXWKJZHGBE-USYZEHPZSA-N 0 3 627.210 5.605 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101843147 554842938 /nfs/dbraw/zinc/84/29/38/554842938.db2.gz DFSIEZWLZUDNIX-IHLOFXLRSA-N 0 3 544.765 5.009 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000101979636 554863636 /nfs/dbraw/zinc/86/36/36/554863636.db2.gz YUGIDUUOXHLBSO-LOYHVIPDSA-N 0 3 542.749 5.748 50 0 KKAAHN Cc1cc(-c2ccc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000101984583 554863910 /nfs/dbraw/zinc/86/39/10/554863910.db2.gz KMBNRWCXFNEWDZ-UHFFFAOYSA-N 0 3 564.730 5.202 50 0 KKAAHN Cc1ccc(C)c(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000102105104 554882441 /nfs/dbraw/zinc/88/24/41/554882441.db2.gz USYRHMBOTHQROI-UHFFFAOYSA-N 0 3 550.574 7.821 50 0 KKAAHN Cc1ccc(-n2ncc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000102130753 554885530 /nfs/dbraw/zinc/88/55/30/554885530.db2.gz CODBRROTXZSSOB-UHFFFAOYSA-N 0 3 599.820 6.288 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCCN3CCc4ccccc4C3)cnn2-c2ccc(F)cc2F)CC1 ZINC000102132083 554886220 /nfs/dbraw/zinc/88/62/20/554886220.db2.gz OQHMJZQBDSCPHR-UHFFFAOYSA-N 0 3 579.692 5.443 50 0 KKAAHN O=C([C@@H]1C[C@H](Sc2ccccn2)CN1Cc1cccc(Cl)c1)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000102447907 554930801 /nfs/dbraw/zinc/93/08/01/554930801.db2.gz LMIASSKUWJOEOH-XICOSQGGSA-N 0 3 551.200 5.439 50 0 KKAAHN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(CN3CCCCC3)cc2)CC1 ZINC000102613580 554983106 /nfs/dbraw/zinc/98/31/06/554983106.db2.gz VUIMFFMQSXUXAI-SDNWHVSQSA-N 0 3 566.699 5.318 50 0 KKAAHN CCOC(=O)[C@H]1CCCN(C2CCN(C(=O)c3ccc(-c4ccsc4)nc3N(C)Cc3ccccc3)CC2)C1 ZINC000102633709 554990242 /nfs/dbraw/zinc/99/02/42/554990242.db2.gz ALDOUODBZYUHDC-DEOSSOPVSA-N 0 3 546.737 5.326 50 0 KKAAHN COc1ccc(NC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102698601 555012120 /nfs/dbraw/zinc/01/21/20/555012120.db2.gz DYGUZRRHWFGNAH-FREGXXQWSA-N 0 3 530.688 5.266 50 0 KKAAHN CCCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000102710552 555016462 /nfs/dbraw/zinc/01/64/62/555016462.db2.gz NWLXEDGWYHCHDE-HZFUHODCSA-N 0 3 516.594 5.411 50 0 KKAAHN O=C(Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cccs1 ZINC000102728493 555022858 /nfs/dbraw/zinc/02/28/58/555022858.db2.gz LGGSEZSQMKVGRO-VPUSJEBWSA-N 0 3 607.780 5.180 50 0 KKAAHN O=C(Nc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000102728482 555022873 /nfs/dbraw/zinc/02/28/73/555022873.db2.gz GCILFTGZUXQBDH-UHSQPCAPSA-N 0 3 619.741 5.258 50 0 KKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[C@H]2C1=O ZINC000102741646 555030545 /nfs/dbraw/zinc/03/05/45/555030545.db2.gz SBRNQJTWTNZDQK-STROYTFGSA-N 0 3 512.650 6.347 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[C@@H]3C2=O)c1 ZINC000102744098 555035328 /nfs/dbraw/zinc/03/53/28/555035328.db2.gz UDLZVMLPKSEDRB-ZRRKCSAHSA-N 0 3 512.650 6.347 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000102744321 555035426 /nfs/dbraw/zinc/03/54/26/555035426.db2.gz OOSVWNFTSWRROP-KKUQBAQOSA-N 0 3 519.384 6.613 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c(OC)c1 ZINC000102745000 555036479 /nfs/dbraw/zinc/03/64/79/555036479.db2.gz WOROXRRIVKNXOH-VJBWXMMDSA-N 0 3 605.272 5.033 50 0 KKAAHN COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c1 ZINC000102745054 555036721 /nfs/dbraw/zinc/03/67/21/555036721.db2.gz AENSTMZWOKUDJL-VJBWXMMDSA-N 0 3 605.272 5.033 50 0 KKAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000102745202 555037007 /nfs/dbraw/zinc/03/70/07/555037007.db2.gz FZAKQMOUQLKEDH-VABKMULXSA-N 0 3 573.274 5.578 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(OC)cc4)C(=O)N32)cc1 ZINC000102746898 555039961 /nfs/dbraw/zinc/03/99/61/555039961.db2.gz LXZKZRWEDINBLS-SXOMAYOGSA-N 0 3 583.714 5.073 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102751212 555044495 /nfs/dbraw/zinc/04/44/95/555044495.db2.gz FYUFHMAAIMMXGC-JFHPUIQFSA-N 0 3 540.575 6.110 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102755891 555048227 /nfs/dbraw/zinc/04/82/27/555048227.db2.gz VRNAWRRLTGUUOX-ISJGIBHGSA-N 0 3 523.347 6.444 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102763536 555054164 /nfs/dbraw/zinc/05/41/64/555054164.db2.gz DZRIKHROLQXSLL-PCCBWWKXSA-N 0 3 507.295 6.063 50 0 KKAAHN CC(C)N(CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102765166 555054659 /nfs/dbraw/zinc/05/46/59/555054659.db2.gz CQFLRHIARPRXCQ-IMRQLAEWSA-N 0 3 553.650 6.212 50 0 KKAAHN CN(CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)Cc1ccccc1 ZINC000102772201 555061243 /nfs/dbraw/zinc/06/12/43/555061243.db2.gz LELLTKBYUXBQKB-JDCMOKTRSA-N 0 3 566.101 6.559 50 0 KKAAHN CCCN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3)CC1 ZINC000102784698 555067279 /nfs/dbraw/zinc/06/72/79/555067279.db2.gz MXNKIEHKHBHZDL-UHFFFAOYSA-N 0 3 563.167 5.799 50 0 KKAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000102839084 555080541 /nfs/dbraw/zinc/08/05/41/555080541.db2.gz GYRPANCBDYEPOZ-QNLPTKCRSA-N 0 3 537.729 5.920 50 0 KKAAHN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840422 555081235 /nfs/dbraw/zinc/08/12/35/555081235.db2.gz CXPDIMBNZQKTGR-PPHZAIPVSA-N 0 3 542.532 5.766 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000102860629 555090931 /nfs/dbraw/zinc/09/09/31/555090931.db2.gz BEHKNDPLVAUERG-TZRRMPRUSA-N 0 3 571.482 6.162 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000102860588 555090953 /nfs/dbraw/zinc/09/09/53/555090953.db2.gz IWFOOAMFMMDWIE-TZRRMPRUSA-N 0 3 605.927 6.815 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102885232 555115143 /nfs/dbraw/zinc/11/51/43/555115143.db2.gz BXXVVYZUTAEBKP-NXCFDTQHSA-N 0 3 551.437 5.688 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102885286 555115391 /nfs/dbraw/zinc/11/53/91/555115391.db2.gz GYJZEXAULJKPHL-IARZGTGTSA-N 0 3 554.986 5.619 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102929883 555156166 /nfs/dbraw/zinc/15/61/66/555156166.db2.gz VSRIDIVLSKGWGY-KWXIBIRDSA-N 0 3 595.460 5.812 50 0 KKAAHN COc1ccc(CCN(Cc2sccc2C)C(=O)CN(CCN2CCCC2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC ZINC000103170762 555324895 /nfs/dbraw/zinc/32/48/95/555324895.db2.gz BQDZBESDNYMDAU-UHFFFAOYSA-N 0 3 648.914 7.522 50 0 KKAAHN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(CCN(C)C)Cc3ccccc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252360 555344498 /nfs/dbraw/zinc/34/44/98/555344498.db2.gz DAHQMVXFKNDONZ-FJQKOURKSA-N 0 3 623.798 5.667 50 0 KKAAHN COc1cc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)ccc1OCc1ccccc1 ZINC000103393068 555377167 /nfs/dbraw/zinc/37/71/67/555377167.db2.gz MLYNICWTRHARCQ-MGBGTMOVSA-N 0 3 587.764 7.011 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101014000 571361233 /nfs/dbraw/zinc/36/12/33/571361233.db2.gz GAPOJNWYNKHEIR-CKHSQSCFSA-N 0 3 506.602 5.409 50 0 KKAAHN Cc1cc(CN2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042604 571390388 /nfs/dbraw/zinc/39/03/88/571390388.db2.gz RUPCVIAPEOZQPW-YIXXDRMTSA-N 0 3 516.579 6.821 50 0 KKAAHN COc1cc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)ccc1O ZINC000105042246 571390414 /nfs/dbraw/zinc/39/04/14/571390414.db2.gz FPEDYRLYOQPEPJ-OZXSUGGESA-N 0 3 544.589 6.325 50 0 KKAAHN Cc1cc(CN2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042553 571390418 /nfs/dbraw/zinc/39/04/18/571390418.db2.gz HTDMDWOPRKQETE-RBJSKKJNSA-N 0 3 530.606 7.068 50 0 KKAAHN O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000105791396 571408598 /nfs/dbraw/zinc/40/85/98/571408598.db2.gz HYVPREUZPFQWON-PCCBWWKXSA-N 0 3 582.863 5.366 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000105796425 571408717 /nfs/dbraw/zinc/40/87/17/571408717.db2.gz SNCHPGRCAVKONL-MPFGFTFXSA-N 0 3 619.899 6.741 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(F)cc5)o4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000106014630 571410318 /nfs/dbraw/zinc/41/03/18/571410318.db2.gz JODYNDBBHOQHEG-ISJGIBHGSA-N 0 3 604.612 5.470 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1OC ZINC000106014982 571410407 /nfs/dbraw/zinc/41/04/07/571410407.db2.gz VSSSKKMRBGOJKO-TWJOJJKGSA-N 0 3 575.876 6.885 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000106018048 571410499 /nfs/dbraw/zinc/41/04/99/571410499.db2.gz OYNRONYGRHGLMX-FRXPANAUSA-N 0 3 584.650 5.294 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000106018834 571410750 /nfs/dbraw/zinc/41/07/50/571410750.db2.gz UKRDWDBPEWEPTA-OYUWMTPXSA-N 0 3 561.015 5.159 50 0 KKAAHN Cc1cc(C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)n(C)n1 ZINC000106805901 571418458 /nfs/dbraw/zinc/41/84/58/571418458.db2.gz PCLIYQSQRUVLBO-JIMJEQGWSA-N 0 3 577.424 5.306 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000108487089 571425990 /nfs/dbraw/zinc/42/59/90/571425990.db2.gz WOMIVVVCLHIQKL-ZRVSFHQTSA-N 0 3 610.843 6.777 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)F)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000138672486 571451756 /nfs/dbraw/zinc/45/17/56/571451756.db2.gz NDOMFXDRSADJGA-PCCBWWKXSA-N 0 3 504.411 5.358 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150346626 571460567 /nfs/dbraw/zinc/46/05/67/571460567.db2.gz VGBLLXYHSNXODN-WECIHKQLSA-N 0 3 665.854 6.714 50 0 KKAAHN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150388814 571471018 /nfs/dbraw/zinc/47/10/18/571471018.db2.gz PDVKEAYSTHPQDA-UHFFFAOYSA-N 0 3 695.819 10.513 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c(OC)c1OC ZINC000150388976 571471325 /nfs/dbraw/zinc/47/13/25/571471325.db2.gz DSPFMEDEGSWMLD-FSSWDIPSSA-N 0 3 635.298 5.042 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150388980 571471337 /nfs/dbraw/zinc/47/13/37/571471337.db2.gz WMUAWSWPPVSQDR-UHFFFAOYSA-N 0 3 644.130 9.543 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1OC ZINC000150388979 571471343 /nfs/dbraw/zinc/47/13/43/571471343.db2.gz DSPFMEDEGSWMLD-FKBYEOEOSA-N 0 3 635.298 5.042 50 0 KKAAHN COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389106 571471475 /nfs/dbraw/zinc/47/14/75/571471475.db2.gz GXFNYGHXZUTBKE-UHFFFAOYSA-N 0 3 692.127 8.617 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000150390857 571473155 /nfs/dbraw/zinc/47/31/55/571473155.db2.gz QYSNILWPOILXJF-HXUWFJFHSA-N 0 3 656.644 6.919 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000150436999 571496559 /nfs/dbraw/zinc/49/65/59/571496559.db2.gz DYHPUZLBYYJFMS-IARZGTGTSA-N 0 3 646.437 5.570 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150460716 571506226 /nfs/dbraw/zinc/50/62/26/571506226.db2.gz WAFWNJKJZKCBQE-NLDZOOGBSA-N 0 3 654.344 7.395 50 0 KKAAHN CCN(CC)C[C@H](O)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@@H](O)CN(CC)CC)c(Br)c2)cc1Br ZINC000150500178 571518463 /nfs/dbraw/zinc/51/84/63/571518463.db2.gz RKOFWDKKXNCXBS-ROUUACIJSA-N 0 3 824.265 5.732 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000150643551 571524813 /nfs/dbraw/zinc/52/48/13/571524813.db2.gz ZMYVMODGCFGRFU-NQVJXQQZSA-N 0 3 672.836 8.682 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000150664107 571528439 /nfs/dbraw/zinc/52/84/39/571528439.db2.gz WRTRQZSWPGRWIC-BHIFYINESA-N 0 3 654.142 5.787 50 0 KKAAHN COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000169677995 571555561 /nfs/dbraw/zinc/55/55/61/571555561.db2.gz ILVCQAXIJWUZNV-FDFHNCONSA-N 0 3 575.246 5.024 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679061 571556055 /nfs/dbraw/zinc/55/60/55/571556055.db2.gz DNBQODSTDCIEPN-IRPSRAIASA-N 0 3 542.617 6.867 50 0 KKAAHN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169681576 571557583 /nfs/dbraw/zinc/55/75/83/571557583.db2.gz UAXRSEWQUQEUOH-UFHPHHKVSA-N 0 3 529.681 6.160 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226890518 572144648 /nfs/dbraw/zinc/14/46/48/572144648.db2.gz SSMXUCCOZRWLOK-FRXPANAUSA-N 0 3 522.601 6.078 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226890518 572144651 /nfs/dbraw/zinc/14/46/51/572144651.db2.gz SSMXUCCOZRWLOK-FRXPANAUSA-N 0 3 522.601 6.078 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000226922262 572145208 /nfs/dbraw/zinc/14/52/08/572145208.db2.gz GNKJRLMXOWXUNH-CILKRHGOSA-N 0 3 549.001 6.335 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCCCC)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000227066040 572149100 /nfs/dbraw/zinc/14/91/00/572149100.db2.gz SMGNYNJBBTYXOB-RWSKJCERSA-N 0 3 558.675 6.494 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227232272 572151158 /nfs/dbraw/zinc/15/11/58/572151158.db2.gz NUCJNZUNKZCLDI-FRXPANAUSA-N 0 3 555.030 6.369 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000227240989 572152352 /nfs/dbraw/zinc/15/23/52/572152352.db2.gz ZFGXHEBNHOAKJH-OLBUMSFYSA-N 0 3 558.609 6.081 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000229895079 572166747 /nfs/dbraw/zinc/16/67/47/572166747.db2.gz VFFRXJDXMHLXLI-CTMYTVLESA-N 0 3 541.607 5.336 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000229945295 572172345 /nfs/dbraw/zinc/17/23/45/572172345.db2.gz HEWPIHIHNPBOJG-OAJQQGRKSA-N 0 3 585.512 7.301 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229948129 572172973 /nfs/dbraw/zinc/17/29/73/572172973.db2.gz INWYHPSPQCSFKE-ISJGIBHGSA-N 0 3 584.253 7.067 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000229946493 572173082 /nfs/dbraw/zinc/17/30/82/572173082.db2.gz OTRWQNZKWQMCSF-OAJQQGRKSA-N 0 3 551.067 6.648 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000229946493 572173085 /nfs/dbraw/zinc/17/30/85/572173085.db2.gz OTRWQNZKWQMCSF-OAJQQGRKSA-N 0 3 551.067 6.648 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229950957 572173384 /nfs/dbraw/zinc/17/33/84/572173384.db2.gz YEVTYJNCKNYRIU-UHLQNUQBSA-N 0 3 597.092 6.275 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229967973 572174552 /nfs/dbraw/zinc/17/45/52/572174552.db2.gz ODXIADHJUOJQLU-BHDDXSALSA-N 0 3 545.444 5.900 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000229967539 572174577 /nfs/dbraw/zinc/17/45/77/572174577.db2.gz XGGRGRIBRQXWRZ-ISJGIBHGSA-N 0 3 516.619 5.163 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000229972119 572175918 /nfs/dbraw/zinc/17/59/18/572175918.db2.gz XURFVSLLBIIBID-KCIBBDPESA-N 0 3 546.648 6.003 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000230003902 572177563 /nfs/dbraw/zinc/17/75/63/572177563.db2.gz UUVNEGGURRLIHJ-ISJGIBHGSA-N 0 3 539.802 6.958 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc(Br)c1)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000230021681 572179023 /nfs/dbraw/zinc/17/90/23/572179023.db2.gz LNFJRUBUMDHGKF-PWRODBHTSA-N 0 3 528.200 5.263 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000230021681 572179026 /nfs/dbraw/zinc/17/90/26/572179026.db2.gz LNFJRUBUMDHGKF-PWRODBHTSA-N 0 3 528.200 5.263 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)c1 ZINC000230025851 572179518 /nfs/dbraw/zinc/17/95/18/572179518.db2.gz KHQGCGYRQIVSDU-JIMJEQGWSA-N 0 3 519.384 6.613 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230028968 572180001 /nfs/dbraw/zinc/18/00/01/572180001.db2.gz KMBZLXQMZZLFQE-ISJGIBHGSA-N 0 3 533.353 5.899 50 0 KKAAHN CC[C@H](C)N(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077506 572182927 /nfs/dbraw/zinc/18/29/27/572182927.db2.gz ZMIQZIMIKPRVMV-ZRKWFTTGSA-N 0 3 533.738 6.371 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189242 572184794 /nfs/dbraw/zinc/18/47/94/572184794.db2.gz MQOXZOSTXPFLGX-OKUYAMHMSA-N 0 3 522.651 6.056 50 0 KKAAHN CN(C)[C@H](CN(C[C@@H](O)CO[C@H]1CCCc2ccccc21)C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000245225344 572202488 /nfs/dbraw/zinc/20/24/88/572202488.db2.gz SPNBKVUSSNSXEI-OPZYGVPFSA-N 0 3 562.751 5.095 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000245241736 572215970 /nfs/dbraw/zinc/21/59/70/572215970.db2.gz NYWSEYZHPZROSX-DNVJHFABSA-N 0 3 591.900 6.425 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245245588 572217897 /nfs/dbraw/zinc/21/78/97/572217897.db2.gz DSEIGPOPWRCJTQ-CILKRHGOSA-N 0 3 599.539 7.610 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccc(Cl)cc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245245588 572217902 /nfs/dbraw/zinc/21/79/02/572217902.db2.gz DSEIGPOPWRCJTQ-CILKRHGOSA-N 0 3 599.539 7.610 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)cc1 ZINC000245246374 572219362 /nfs/dbraw/zinc/21/93/62/572219362.db2.gz JUWJHVJHPZTPOU-OZNIXHKMSA-N 0 3 563.437 7.093 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000245246405 572219392 /nfs/dbraw/zinc/21/93/92/572219392.db2.gz KROIFPPGQFBDDD-MZNDLHKKSA-N 0 3 628.669 6.635 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246776 572219826 /nfs/dbraw/zinc/21/98/26/572219826.db2.gz NGPGDNUELGEEOY-WKLUVDBGSA-N 0 3 550.655 5.601 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245246774 572219993 /nfs/dbraw/zinc/21/99/93/572219993.db2.gz NGGKXOFXRQGIRE-YGGCMVMVSA-N 0 3 546.648 6.003 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000245246812 572219997 /nfs/dbraw/zinc/21/99/97/572219997.db2.gz OTRWQNZKWQMCSF-CKXMCULTSA-N 0 3 551.067 6.648 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245247934 572221270 /nfs/dbraw/zinc/22/12/70/572221270.db2.gz ZFGXHEBNHOAKJH-FKGBSIOTSA-N 0 3 558.609 6.081 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@H](C(C)(C)C)C5)C(=O)C3ON2c2ccccc2)cc1OC ZINC000245247867 572221367 /nfs/dbraw/zinc/22/13/67/572221367.db2.gz YLYWLVZFSPBBLJ-IRCIOKMMSA-N 0 3 632.779 6.534 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245310095 572228077 /nfs/dbraw/zinc/22/80/77/572228077.db2.gz HOFYLJBFMFOMSY-OZNIXHKMSA-N 0 3 504.542 5.265 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)cc1 ZINC000245311653 572229276 /nfs/dbraw/zinc/22/92/76/572229276.db2.gz POVRGIYDCPLPPR-UODIDJSMSA-N 0 3 519.384 6.613 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000245311365 572229405 /nfs/dbraw/zinc/22/94/05/572229405.db2.gz OCRCVPBFALTMSO-MPFGFTFXSA-N 0 3 534.568 5.356 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312626 572230187 /nfs/dbraw/zinc/23/01/87/572230187.db2.gz WOOBXIQFTGUXPE-HPNWTYDNSA-N 0 3 541.607 5.336 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245325554 572231497 /nfs/dbraw/zinc/23/14/97/572231497.db2.gz FQGSVNRQXHCQSE-DCMQHHMNSA-N 0 3 563.028 6.644 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245325554 572231500 /nfs/dbraw/zinc/23/15/00/572231500.db2.gz FQGSVNRQXHCQSE-DCMQHHMNSA-N 0 3 563.028 6.644 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(Br)c4)[C@H]3C2=O)cc1 ZINC000245329233 572235619 /nfs/dbraw/zinc/23/56/19/572235619.db2.gz YLUNISOTQNJPEO-WXFUMESZSA-N 0 3 525.374 5.428 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245329239 572235649 /nfs/dbraw/zinc/23/56/49/572235649.db2.gz YPNBMVQWNKQRHU-MJSOWUPRSA-N 0 3 596.611 5.893 50 0 KKAAHN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247893603 572248647 /nfs/dbraw/zinc/24/86/47/572248647.db2.gz ZCMYVMHDUVYSCO-YTTGMZPUSA-N 0 3 618.225 6.884 50 0 KKAAHN COc1ccc([C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247941937 572250364 /nfs/dbraw/zinc/25/03/64/572250364.db2.gz NNXCOQQFPCDIQP-CUBQBAPOSA-N 0 3 514.563 6.117 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248340639 572258414 /nfs/dbraw/zinc/25/84/14/572258414.db2.gz VFFRXJDXMHLXLI-HEFUCBFLSA-N 0 3 541.607 5.336 50 0 KKAAHN Cc1noc(C)c1CN1CCC(N2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252485309 572261622 /nfs/dbraw/zinc/26/16/22/572261622.db2.gz GQWCOUPTKWJUSA-UHFFFAOYSA-N 0 3 547.666 5.748 50 0 KKAAHN O=C(c1cc2ccccc2o1)N1CCC(N2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252494053 572261725 /nfs/dbraw/zinc/26/17/25/572261725.db2.gz NJWBXDDGIDIZDJ-UHFFFAOYSA-N 0 3 582.667 6.529 50 0 KKAAHN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@@H]3CCC[C@H]3N3CCN(C)CC3)cc2)CC1 ZINC000252512219 572262113 /nfs/dbraw/zinc/26/21/13/572262113.db2.gz ODKQFULXUUADEW-HPDAOXAKSA-N 0 3 510.122 5.686 50 0 KKAAHN COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c(OC)c1 ZINC000102033077 1069840657 /nfs/dbraw/zinc/84/06/57/1069840657.db2.gz ZBTHVDIHGHVTCF-NDEPHWFRSA-N 0 3 553.703 6.348 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000102229165 1069850419 /nfs/dbraw/zinc/85/04/19/1069850419.db2.gz QMOJNCKOGMUTAA-NDEPHWFRSA-N 0 3 545.687 5.984 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)c1)Cc1cccc2cccnc21 ZINC000102698836 1069862812 /nfs/dbraw/zinc/86/28/12/1069862812.db2.gz GQRNUYPINCYTPY-MUUNZHRXSA-N 0 3 537.660 6.059 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c1)Cc1cccc2cccnc21 ZINC000012053112 1071236030 /nfs/dbraw/zinc/23/60/30/1071236030.db2.gz IYINNTBICUZMEA-PMERELPUSA-N 0 3 525.668 6.399 50 0 KKAAHN CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000003830212 439766729 /nfs/dbraw/zinc/76/67/29/439766729.db2.gz IYIKLHRQXLHMJQ-UHFFFAOYSA-N 0 3 645.319 6.936 50 0 aggregator,fda KKAAHN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719917 551536621 /nfs/dbraw/zinc/53/66/21/551536621.db2.gz COUQSWZIKUJZCY-SLGVQHSVSA-N 0 3 573.660 5.143 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000001870163 551719393 /nfs/dbraw/zinc/71/93/93/551719393.db2.gz TZUNLFJDWCLZIL-OCBJUFRSSA-N 0 3 599.481 6.396 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000002396753 552110165 /nfs/dbraw/zinc/11/01/65/552110165.db2.gz QIZQNSIJWGZAPB-NJDAHSKKSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000002435325 552118493 /nfs/dbraw/zinc/11/84/93/552118493.db2.gz LCFKPPVJFFJQLC-DSNGMDLFSA-N 0 3 539.802 6.958 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000002968361 552240145 /nfs/dbraw/zinc/24/01/45/552240145.db2.gz KBKBYVIKJLGJJN-FTJBHMTQSA-N 0 3 571.678 5.204 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000002968357 552240194 /nfs/dbraw/zinc/24/01/94/552240194.db2.gz KBKBYVIKJLGJJN-IZZNHLLZSA-N 0 3 571.678 5.204 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968782 552242291 /nfs/dbraw/zinc/24/22/91/552242291.db2.gz YZAVWQXWIXVQOE-JWQCQUIFSA-N 0 3 574.106 5.198 50 0 KKAAHN O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCN1CCCCCC1 ZINC000003051178 552277361 /nfs/dbraw/zinc/27/73/61/552277361.db2.gz XTVMXEVABPZKMA-QJOMJCCJSA-N 0 3 503.590 5.177 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000003062980 552283686 /nfs/dbraw/zinc/28/36/86/552283686.db2.gz QGYIHPCVBCSGAH-STKMKYKTSA-N 0 3 594.180 7.414 50 0 KKAAHN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2)C1=O ZINC000003063628 552284105 /nfs/dbraw/zinc/28/41/05/552284105.db2.gz OWZGFRRQHKPMIA-UCTFJTRWSA-N 0 3 525.718 6.279 50 0 KKAAHN CCOC(=O)c1c2c(sc1NC=C1c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C1=O)C(C)(C)NC(C)(C)C2 ZINC000003410727 552381899 /nfs/dbraw/zinc/38/18/99/552381899.db2.gz VRJANDXTKAAFAN-JJIBRWJFSA-N 0 3 557.716 6.341 50 0 KKAAHN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014965 552426407 /nfs/dbraw/zinc/42/64/07/552426407.db2.gz YCBHZQRQYLKSRS-GDLZYMKVSA-N 0 3 623.753 7.512 50 0 KKAAHN O=C(CNC(=O)OCc1ccccc1)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014976 552426415 /nfs/dbraw/zinc/42/64/15/552426415.db2.gz POGGJYMSELPSKY-UHFFFAOYSA-N 0 3 609.726 7.124 50 0 KKAAHN COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000004214704 552449778 /nfs/dbraw/zinc/44/97/78/552449778.db2.gz LGGHDPFKSSRQNS-UHFFFAOYSA-N 0 3 646.744 6.375 50 0 investigational KKAAHN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000006166843 552557190 /nfs/dbraw/zinc/55/71/90/552557190.db2.gz QQWCDPKRXPERRZ-UHFFFAOYSA-N 0 3 630.103 9.208 50 0 KKAAHN Cc1ccc([N-]C(=O)c2c(SCC(=O)c3ccc(Br)cc3)n(-c3ccccc3)c3cccc[n+]32)cc1 ZINC000006184087 552562708 /nfs/dbraw/zinc/56/27/08/552562708.db2.gz YRKNXCVYBOCCIU-UHFFFAOYSA-O 0 3 557.493 6.514 50 0 KKAAHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000008439697 553035923 /nfs/dbraw/zinc/03/59/23/553035923.db2.gz WFVVMUOCJWVLFU-AJCPBJRWSA-N 0 3 597.759 6.665 50 0 KKAAHN CNC(=O)Oc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448303 553055826 /nfs/dbraw/zinc/05/58/26/553055826.db2.gz LTXVPQKNWWQOSX-UHFFFAOYSA-N 0 3 598.540 6.350 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)ccc3nc3c2CCCC3)cc1OC ZINC000008591365 553082527 /nfs/dbraw/zinc/08/25/27/553082527.db2.gz XHJLUGRZQJCBHT-XNTDXEJSSA-N 0 3 569.658 6.552 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000008596995 553091683 /nfs/dbraw/zinc/09/16/83/553091683.db2.gz DOCPBWZIRZMFNX-UHFFFAOYSA-N 0 3 606.211 6.325 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cnn2-c2ccc(F)cc2F)CC1 ZINC000008597288 553092427 /nfs/dbraw/zinc/09/24/27/553092427.db2.gz WADSYOOOIPIAST-UHFFFAOYSA-N 0 3 579.692 5.659 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000008696046 553125520 /nfs/dbraw/zinc/12/55/20/553125520.db2.gz GJSVJJZDFSNHED-KAODMTDESA-N 0 3 605.827 7.058 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CCC[C@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000008732607 553130367 /nfs/dbraw/zinc/13/03/67/553130367.db2.gz OAFRDWCVIBXSEZ-KAYWLYCHSA-N 0 3 510.719 5.856 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000008749415 553134872 /nfs/dbraw/zinc/13/48/72/553134872.db2.gz PILWNZMOVUEQJX-QTQRRKOQSA-N 0 3 622.829 7.802 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000008749407 553134934 /nfs/dbraw/zinc/13/49/34/553134934.db2.gz LINHNLOWQAVSJX-GUZYMRFCSA-N 0 3 640.800 6.894 50 0 KKAAHN CC(=O)Nc1cc(C(=O)NCC2CCN(Cc3ccc(C)cc3)CC2)ccc1Sc1ccc(C)cc1 ZINC000008811494 553149064 /nfs/dbraw/zinc/14/90/64/553149064.db2.gz OCNSJLHGESLLNY-UHFFFAOYSA-N 0 3 501.696 6.055 50 0 KKAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000008812693 553150041 /nfs/dbraw/zinc/15/00/41/553150041.db2.gz MGTVLFVMNIDDHR-UHFFFAOYSA-N 0 3 516.110 6.724 50 0 KKAAHN COc1ccc(C(=O)[C@H](CC[C@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000009046806 553204274 /nfs/dbraw/zinc/20/42/74/553204274.db2.gz WUCCTPWXHXLLMT-VSGBNLITSA-N 0 3 520.714 5.754 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000009109805 553209928 /nfs/dbraw/zinc/20/99/28/553209928.db2.gz RPAOVPSORWAUDF-ACIRYHQQSA-N 0 3 525.048 6.237 50 0 KKAAHN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000009453482 553266189 /nfs/dbraw/zinc/26/61/89/553266189.db2.gz HENYEGFOULUSQH-JOCHJYFZSA-N 0 3 510.941 5.826 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009462319 553268124 /nfs/dbraw/zinc/26/81/24/553268124.db2.gz BLLRUNKKUOJOSY-MHZLTWQESA-N 0 3 516.483 6.862 50 0 KKAAHN CC(C)(C)c1cc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc(C(C)(C)C)c1O ZINC000009805957 553308689 /nfs/dbraw/zinc/30/86/89/553308689.db2.gz JCTCREUSUFSUOF-UHFFFAOYSA-N 0 3 509.710 5.687 50 0 KKAAHN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000011784898 553342662 /nfs/dbraw/zinc/34/26/62/553342662.db2.gz ZSCZAUBVUNDNOL-UHFFFAOYSA-N 0 3 520.058 5.292 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000011872548 553348262 /nfs/dbraw/zinc/34/82/62/553348262.db2.gz LJRVQVGTVMTAPI-UHFFFAOYSA-N 0 3 538.635 7.236 50 0 KKAAHN COc1ccc(OC)c(CC(=O)N(CCN(C)C)Cc2cc3cccc(C)c3nc2-c2cccc(C)c2)c1 ZINC000012157632 553352897 /nfs/dbraw/zinc/35/28/97/553352897.db2.gz BEINXSPJKVJMRB-UHFFFAOYSA-N 0 3 511.666 5.669 50 0 KKAAHN C[C@@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cnc3ccccc3c2)C1 ZINC000012244720 553354809 /nfs/dbraw/zinc/35/48/09/553354809.db2.gz DGNHCIXCJZFXMA-JOCHJYFZSA-N 0 3 523.633 5.558 50 0 KKAAHN CN(Cc1ccc(OCCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012246904 553354953 /nfs/dbraw/zinc/35/49/53/553354953.db2.gz WCPJLYYEQLYPGS-UHFFFAOYSA-N 0 3 529.084 5.357 50 0 KKAAHN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3n2)cc1 ZINC000012370983 553360120 /nfs/dbraw/zinc/36/01/20/553360120.db2.gz MGIDLIHAKBPUFJ-UHFFFAOYSA-N 0 3 521.612 5.069 50 0 KKAAHN COc1ccc(C(=O)N2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000012371087 553360255 /nfs/dbraw/zinc/36/02/55/553360255.db2.gz DHIALTVLDRLYAU-UHFFFAOYSA-N 0 3 512.738 6.780 50 0 KKAAHN COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c2n1 ZINC000012371791 553360539 /nfs/dbraw/zinc/36/05/39/553360539.db2.gz ZMVGUKLTBJBBJZ-UHFFFAOYSA-N 0 3 521.612 5.069 50 0 KKAAHN O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374695 553361038 /nfs/dbraw/zinc/36/10/38/553361038.db2.gz JVOWXDFMJFASGC-UHFFFAOYSA-N 0 3 527.566 5.281 50 0 KKAAHN CC(C)N1CCC(C(=O)Nc2ccccc2)(N(Cc2ccc(Cl)cc2)C(=O)c2cccc(F)c2)CC1 ZINC000012563934 553396051 /nfs/dbraw/zinc/39/60/51/553396051.db2.gz ANESBMIMYZZCHI-UHFFFAOYSA-N 0 3 508.037 6.003 50 0 KKAAHN Clc1ccc(CSCc2cc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc(-c3ccccc3)n2)cc1 ZINC000012960634 553430779 /nfs/dbraw/zinc/43/07/79/553430779.db2.gz ZDYPZTCBGZPVMJ-UHFFFAOYSA-N 0 3 577.197 8.142 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000013806999 553491771 /nfs/dbraw/zinc/49/17/71/553491771.db2.gz CMVWLEGROGMBLI-VJGNERBWSA-N 0 3 504.558 5.454 50 0 KKAAHN Cn1cc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)c2ccccc21 ZINC000014542867 553518823 /nfs/dbraw/zinc/51/88/23/553518823.db2.gz HSLQJGOFVDRLIE-UHFFFAOYSA-N 0 3 506.650 5.220 50 0 KKAAHN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014740995 553519603 /nfs/dbraw/zinc/51/96/03/553519603.db2.gz GPAZQTINFZDMGK-UHFFFAOYSA-N 0 3 510.638 5.157 50 0 KKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CCN(C)C)C(=O)c2csc(C)n2)cc1 ZINC000014983816 553523685 /nfs/dbraw/zinc/52/36/85/553523685.db2.gz JXOWQKTTZZWMHK-UHFFFAOYSA-N 0 3 506.697 5.601 50 0 KKAAHN COc1ccccc1C(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@H]2CCCN(C)C2)C1 ZINC000014988148 553523861 /nfs/dbraw/zinc/52/38/61/553523861.db2.gz NIDMXKANZRWMFV-NRFANRHFSA-N 0 3 506.668 5.488 50 0 KKAAHN Cc1ccc(-c2cc3c(c(OC[C@H]4CCCN(C)C4)c2)OCCN(C(=O)Cc2ccc(F)cc2)C3)s1 ZINC000014996718 553524636 /nfs/dbraw/zinc/52/46/36/553524636.db2.gz OWTZSHGYDZQOGR-QFIPXVFZSA-N 0 3 508.659 5.547 50 0 KKAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000015942345 553543726 /nfs/dbraw/zinc/54/37/26/553543726.db2.gz BRRYJQGYLFSCJN-UHFFFAOYSA-N 0 3 507.078 5.296 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000017951393 553600643 /nfs/dbraw/zinc/60/06/43/553600643.db2.gz HSHCZSPOSYRBCV-IARZGTGTSA-N 0 3 516.594 5.324 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000017991135 553601076 /nfs/dbraw/zinc/60/10/76/553601076.db2.gz RAYJLBGXBQZTPU-FCEKVYKBSA-N 0 3 514.578 5.128 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018066593 553603056 /nfs/dbraw/zinc/60/30/56/553603056.db2.gz FDUKXOPMQCRVOR-JBOQNHBVSA-N 0 3 522.601 6.078 50 0 KKAAHN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000070672924 553603061 /nfs/dbraw/zinc/60/30/61/553603061.db2.gz UVVRCAOQNORAME-ZPXIYBMASA-N 0 3 525.862 8.816 50 0 biogenic KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1Br ZINC000018068502 553603146 /nfs/dbraw/zinc/60/31/46/553603146.db2.gz PYKBDSGRJSXQIY-BDTNDASRSA-N 0 3 513.775 5.162 50 0 KKAAHN Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 ZINC000018710085 553612468 /nfs/dbraw/zinc/61/24/68/553612468.db2.gz YABJJWZLRMPFSI-UHFFFAOYSA-N 0 3 518.421 6.932 50 0 investigational KKAAHN COc1cc([C@@H]2CN3C(=O)CN(C4CCN(Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070699475 553616199 /nfs/dbraw/zinc/61/61/99/553616199.db2.gz OULZYOPFULMYCC-WLMPYFOXSA-N 0 3 606.767 5.660 50 0 biogenic KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCN(CCc2ccccc2)CC1 ZINC000019908810 553633177 /nfs/dbraw/zinc/63/31/77/553633177.db2.gz YBPYBFSAKCTPRK-YTTGMZPUSA-N 0 3 529.728 6.505 50 0 KKAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020412773 553647100 /nfs/dbraw/zinc/64/71/00/553647100.db2.gz IBCOGKCITUYAKE-KCIBPEQQSA-N 0 3 519.129 6.505 50 0 biogenic KKAAHN COc1ccc(C(=O)[C@H](C[C@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000020036358 553667732 /nfs/dbraw/zinc/66/77/32/553667732.db2.gz UIAMBVTUVXCGFO-KAYWLYCHSA-N 0 3 506.687 5.364 50 0 KKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612101 553679750 /nfs/dbraw/zinc/67/97/50/553679750.db2.gz UPYWLQWRUNUSPT-KCIBPEQQSA-N 0 3 517.113 6.281 50 0 biogenic KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735293 553693294 /nfs/dbraw/zinc/69/32/94/553693294.db2.gz UTDVJYZONKWYOK-QICHVEDASA-N 0 3 511.691 5.889 50 0 KKAAHN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(C4CCCCC4)CC3)c1)c1cc(Cl)ccc1O2 ZINC000020854824 553700207 /nfs/dbraw/zinc/70/02/07/553700207.db2.gz CPNOJHLUNLTWFU-UFHPHHKVSA-N 0 3 509.050 5.200 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](C[C@H](CN2CCCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCCC2)cc1 ZINC000095721540 553710150 /nfs/dbraw/zinc/71/01/50/553710150.db2.gz FKQODEXMCHSCOS-CZNDPXEESA-N 0 3 590.849 7.704 50 0 KKAAHN CCOc1ccc(C(=O)[C@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCC2)cc1 ZINC000095785630 553713276 /nfs/dbraw/zinc/71/32/76/553713276.db2.gz YVTKTAFHZHUQOU-RNPORBBMSA-N 0 3 548.768 6.534 50 0 KKAAHN COC(=O)C(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021991763 553722680 /nfs/dbraw/zinc/72/26/80/553722680.db2.gz PGQMZSGBFIPEKX-UHFFFAOYSA-N 0 3 513.678 5.748 50 0 KKAAHN CN1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(-c3cccc(Cl)c3Cl)c2=S)CC1 ZINC000022039328 553723321 /nfs/dbraw/zinc/72/33/21/553723321.db2.gz DKRLSNARYHYMNN-UHFFFAOYSA-N 0 3 504.531 6.270 50 0 KKAAHN CCOC(=O)[C@@H]1C[C@@H]1CN1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659963 553748872 /nfs/dbraw/zinc/74/88/72/553748872.db2.gz YJVBXGFMMSQTKM-RCZVLFRGSA-N 0 3 505.486 5.306 50 0 KKAAHN Fc1ccc(C(CCCN2CCN([C@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)c2ccc(F)cc2)cc1 ZINC000022789228 553750200 /nfs/dbraw/zinc/75/02/00/553750200.db2.gz BVGXOPYFUSODAF-YTTGMZPUSA-N 0 3 611.148 8.875 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022873404 553766055 /nfs/dbraw/zinc/76/60/55/553766055.db2.gz VHVJBTKSEFANSC-IZZNHLLZSA-N 0 3 611.584 5.705 50 0 KKAAHN CCSc1nc2sc3c(c2c(N2CCN(C(c4ccccc4)c4ccccc4)CC2)n1)C[C@](C)(CC)OC3 ZINC000097954555 553824089 /nfs/dbraw/zinc/82/40/89/553824089.db2.gz ZEMCTFIMANQNMK-HKBQPEDESA-N 0 3 544.790 6.956 50 0 KKAAHN CC(C)Sc1nc2sc3c(c2c(N2CCN(C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000097954723 553824927 /nfs/dbraw/zinc/82/49/27/553824927.db2.gz CBRONNYXUVWYKX-UHFFFAOYSA-N 0 3 544.790 6.955 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956243 553836982 /nfs/dbraw/zinc/83/69/82/553836982.db2.gz SGDVRVNYSAPEBY-QGZVFWFLSA-N 0 3 525.310 6.017 50 0 KKAAHN OCCN1CCN(C[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccc4ccccc4c32)CC1 ZINC000028296575 553841795 /nfs/dbraw/zinc/84/17/95/553841795.db2.gz CYBJSRCFGLFQHZ-NDEPHWFRSA-N 0 3 505.662 5.099 50 0 KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963602 553892149 /nfs/dbraw/zinc/89/21/49/553892149.db2.gz WTKQFFWWDMKMQY-QZTJIDSGSA-N 0 3 561.770 5.003 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2cccc(Cl)c2)cc1 ZINC000033252322 553913814 /nfs/dbraw/zinc/91/38/14/553913814.db2.gz IVYDHVZNQCENQJ-UHFFFAOYSA-N 0 3 506.075 5.251 50 0 KKAAHN O[C@@H](COc1ccccc1)CN(CCN(C[C@@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353342 553924769 /nfs/dbraw/zinc/92/47/69/553924769.db2.gz BMNASIGFPCNXFN-NCRNUEESSA-N 0 3 692.900 8.049 50 0 KKAAHN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)cc3n2)cc1OC ZINC000033354926 553932185 /nfs/dbraw/zinc/93/21/85/553932185.db2.gz XAHRKYGLZLPBKD-UHFFFAOYSA-N 0 3 569.628 5.159 50 0 KKAAHN CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(OC(=O)C(Cc2ccccc2)Cc2ccccc2)c(CN2CCCC2)c1 ZINC000097973077 553968310 /nfs/dbraw/zinc/96/83/10/553968310.db2.gz CLTWNWVTOBHGEJ-XPSQVAKYSA-N 0 3 589.820 8.985 50 0 KKAAHN Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000033921866 553976549 /nfs/dbraw/zinc/97/65/49/553976549.db2.gz WAUATFXFOSBXQN-UHFFFAOYSA-N 0 3 501.630 5.703 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671782 553982365 /nfs/dbraw/zinc/98/23/65/553982365.db2.gz NUKYPGXWXORPRV-SZAHLOSFSA-N 0 3 518.701 6.925 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671720 553982535 /nfs/dbraw/zinc/98/25/35/553982535.db2.gz NRPXGIXNMOUMOX-ACHIHNKUSA-N 0 3 505.662 6.012 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671658 553982603 /nfs/dbraw/zinc/98/26/03/553982603.db2.gz PQQHCQBBIKIGRA-LQJZCPKCSA-N 0 3 504.674 6.617 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698405 553991183 /nfs/dbraw/zinc/99/11/83/553991183.db2.gz VKQHZIOKWUMCDC-YIXXDRMTSA-N 0 3 511.563 5.523 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698846 553991558 /nfs/dbraw/zinc/99/15/58/553991558.db2.gz OQDQWEHJGKJEQU-VAVYLYDRSA-N 0 3 520.639 7.103 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccsc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699122 553991793 /nfs/dbraw/zinc/99/17/93/553991793.db2.gz CWSPZNYWOHJHMV-JYFHCDHNSA-N 0 3 518.620 6.920 50 0 KKAAHN COc1ccc([C@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699327 553992240 /nfs/dbraw/zinc/99/22/40/553992240.db2.gz NEKMJQLHAZFCCA-FYBSXPHGSA-N 0 3 506.618 5.116 50 0 KKAAHN Cc1cc([C@@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716782 553995684 /nfs/dbraw/zinc/99/56/84/553995684.db2.gz QOWNPVISDLPHGN-VSGBNLITSA-N 0 3 503.637 5.223 50 0 KKAAHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)C1 ZINC000034716822 553995762 /nfs/dbraw/zinc/99/57/62/553995762.db2.gz GDURILCLJKJVSR-SGNDLWITSA-N 0 3 501.042 5.195 50 0 KKAAHN Cc1cc([C@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716817 553995796 /nfs/dbraw/zinc/99/57/96/553995796.db2.gz UXUMWYGVNIKARA-NSOVKSMOSA-N 0 3 520.092 5.738 50 0 KKAAHN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CCN1CCCC1)C(=O)Nc1ccc(C)cc1 ZINC000035775509 554073841 /nfs/dbraw/zinc/07/38/41/554073841.db2.gz ASUVERBKZDJCEV-UHFFFAOYSA-N 0 3 504.700 5.524 50 0 KKAAHN COc1ccc(OC[C@@H](O)CN(Cc2cccn2Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)cc1 ZINC000035840645 554080356 /nfs/dbraw/zinc/08/03/56/554080356.db2.gz CIJLPTXUZLNAFG-LJAQVGFWSA-N 0 3 504.715 6.417 50 0 KKAAHN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035842581 554080901 /nfs/dbraw/zinc/08/09/01/554080901.db2.gz QKJGMSOXOMQNMG-WJOKGBTCSA-N 0 3 539.764 6.352 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035843202 554081557 /nfs/dbraw/zinc/08/15/57/554081557.db2.gz JNONEFZBHJQXSE-SVYISMGTSA-N 0 3 519.000 6.055 50 0 KKAAHN CCc1cccc2c([C@@H](CC(=O)NCCN3CCCCC3)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000035872477 554087002 /nfs/dbraw/zinc/08/70/02/554087002.db2.gz VKDPNYSYGMYGET-HKBQPEDESA-N 0 3 523.721 7.140 50 0 KKAAHN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1cccc(C)c1C ZINC000098012337 554089824 /nfs/dbraw/zinc/08/98/24/554089824.db2.gz XZCQUIUZSFVCHM-JGCGQSQUSA-N 0 3 583.758 5.012 50 0 KKAAHN Cn1cc([C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891747 554090895 /nfs/dbraw/zinc/09/08/95/554090895.db2.gz TUQIKDLLJBALHE-HHHXNRCGSA-N 0 3 519.611 6.500 50 0 KKAAHN O=C(Nc1ccc(F)cc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000035908062 554092321 /nfs/dbraw/zinc/09/23/21/554092321.db2.gz CHRHPKPBYVNEJL-NVQXNPDNSA-N 0 3 515.526 5.528 50 0 KKAAHN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(Cc4cccs4)CC3)c12 ZINC000035924712 554097363 /nfs/dbraw/zinc/09/73/63/554097363.db2.gz RCEUENLQRXQEQT-UHFFFAOYSA-N 0 3 508.695 5.797 50 0 KKAAHN COc1ccc(CN2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925669 554097915 /nfs/dbraw/zinc/09/79/15/554097915.db2.gz MZKHRDVQOCPUDE-UHFFFAOYSA-N 0 3 504.638 5.127 50 0 KKAAHN CC(C)CN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C1CCN(C)CC1)C(=O)c1ccc(F)cc1 ZINC000035945008 554102385 /nfs/dbraw/zinc/10/23/85/554102385.db2.gz NLQQUDXBWWFNTD-UHFFFAOYSA-N 0 3 508.682 5.393 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000098048136 554159841 /nfs/dbraw/zinc/15/98/41/554159841.db2.gz ZSUJSMCCRSKRMU-HSZRJFAPSA-N 0 3 571.357 5.541 50 0 KKAAHN Cc1cccc(Oc2cnn(-c3ccccc3Cl)c(=O)c2Nc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000036084817 554175617 /nfs/dbraw/zinc/17/56/17/554175617.db2.gz AFBMIRUCVKCXRH-UHFFFAOYSA-N 0 3 518.017 5.022 50 0 KKAAHN CS(=O)(=O)c1ccc(CN(C(=O)c2cccc(C(F)(F)F)c2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000100001477 554177490 /nfs/dbraw/zinc/17/74/90/554177490.db2.gz WTBJZYOGFUQCPA-UHFFFAOYSA-N 0 3 530.612 5.416 50 0 KKAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C(=S)Nc1ccc(F)cc1 ZINC000036249074 554209979 /nfs/dbraw/zinc/20/99/79/554209979.db2.gz DLGOOMMTFLFPHS-UHFFFAOYSA-N 0 3 529.685 5.804 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305196 554214833 /nfs/dbraw/zinc/21/48/33/554214833.db2.gz AUWCUDOATMYMCH-RUZDIDTESA-N 0 3 518.057 6.185 50 0 KKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@@H](O)COCc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305265 554215475 /nfs/dbraw/zinc/21/54/75/554215475.db2.gz ZBQWXVFAFVLXGY-HHHXNRCGSA-N 0 3 529.681 5.924 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307264 554215873 /nfs/dbraw/zinc/21/58/73/554215873.db2.gz SBSBNXNZKXERSP-VWLOTQADSA-N 0 3 501.602 5.670 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000049625577 554324175 /nfs/dbraw/zinc/32/41/75/554324175.db2.gz SQHWUCVCWKDAIS-JMRYHUDMSA-N 0 3 541.739 6.976 50 0 KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000053371817 554348155 /nfs/dbraw/zinc/34/81/55/554348155.db2.gz DKGDGKXWDACQSD-DIPNUNPCSA-N 0 3 538.113 5.519 50 0 KKAAHN COc1ccc([C@@H]2C[NH2+][C@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390742 554348440 /nfs/dbraw/zinc/34/84/40/554348440.db2.gz IALDDJYIZAGUBA-GMCHKSTQSA-N 0 3 537.685 6.284 50 0 KKAAHN COc1ccc([C@H]2C[NH2+][C@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390747 554348648 /nfs/dbraw/zinc/34/86/48/554348648.db2.gz IALDDJYIZAGUBA-AKGWNBJDSA-N 0 3 537.685 6.284 50 0 KKAAHN Cc1c(C)c2[nH]c1/C=C1\N=C(C(C)=C1C)[C@H]1CCC[C@@H](C1)c1[nH]c(c(C)c1C)/C=C1\N=C(C(C)=C1C)[C@H]1CCC[C@H]2C1 ZINC000100661010 554438572 /nfs/dbraw/zinc/43/85/72/554438572.db2.gz JUZXKQVXKIHAQB-RCWQAEMTSA-N 0 3 560.830 10.102 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2c(cccc2C)s1 ZINC000060209895 554503656 /nfs/dbraw/zinc/50/36/56/554503656.db2.gz PJACXIBTQUMBQR-UHFFFAOYSA-N 0 3 550.750 5.414 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101091315 554582538 /nfs/dbraw/zinc/58/25/38/554582538.db2.gz JSGQRPYSFKALDC-OLUZHXLYSA-N 0 3 536.628 6.469 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101106617 554640222 /nfs/dbraw/zinc/64/02/22/554640222.db2.gz FDUKXOPMQCRVOR-OCBJUFRSSA-N 0 3 522.601 6.078 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101115215 554642806 /nfs/dbraw/zinc/64/28/06/554642806.db2.gz AEFDWUVQUGACEF-NLDZOOGBSA-N 0 3 534.568 5.274 50 0 KKAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000101127206 554646084 /nfs/dbraw/zinc/64/60/84/554646084.db2.gz WFPOBVUWSZPAPJ-FSSWDIPSSA-N 0 3 502.876 5.419 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101210353 554679029 /nfs/dbraw/zinc/67/90/29/554679029.db2.gz GKAZYFQOEUZNOQ-WFPUBZAHSA-N 0 3 528.608 6.143 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101210353 554679030 /nfs/dbraw/zinc/67/90/30/554679030.db2.gz GKAZYFQOEUZNOQ-WFPUBZAHSA-N 0 3 528.608 6.143 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1 ZINC000101330630 554731294 /nfs/dbraw/zinc/73/12/94/554731294.db2.gz UEGWJWWIABDQHL-UHFFFAOYSA-N 0 3 593.127 5.308 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101359155 554741627 /nfs/dbraw/zinc/74/16/27/554741627.db2.gz AMHLAVZLNYUKGP-PAHOUZJPSA-N 0 3 537.830 6.209 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386109 554751014 /nfs/dbraw/zinc/75/10/14/554751014.db2.gz ROIRYERHUJQZFL-CMVGPNDKSA-N 0 3 612.771 6.348 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386233 554751509 /nfs/dbraw/zinc/75/15/09/554751509.db2.gz TYYREJHFKQVTIJ-WHMAPKLYSA-N 0 3 622.810 6.755 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386203 554751535 /nfs/dbraw/zinc/75/15/35/554751535.db2.gz NUWQCCWWFGRSRO-BIMVPBQRSA-N 0 3 623.817 6.943 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386246 554751737 /nfs/dbraw/zinc/75/17/37/554751737.db2.gz OICWGDKCYXFDBU-HKFHRXRESA-N 0 3 592.784 6.747 50 0 KKAAHN COc1ccc(-c2cc3nc(C)c(CCC(=O)NCCN4CCC(Cc5ccccc5)CC4)c(C)n3n2)c(OC)c1 ZINC000101419089 554766692 /nfs/dbraw/zinc/76/66/92/554766692.db2.gz LEGLRJXDHXPJEU-UHFFFAOYSA-N 0 3 555.723 5.034 50 0 KKAAHN O=C(NCCCN(Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101617762 554806416 /nfs/dbraw/zinc/80/64/16/554806416.db2.gz MRCUCPRDJPJKLX-XZWHSSHBSA-N 0 3 545.749 6.516 50 0 KKAAHN CSc1cccc(NC(=O)CC[C@H]2CN(Cc3ccccn3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000101754750 554835845 /nfs/dbraw/zinc/83/58/45/554835845.db2.gz JBZRMTWOJYPGPV-QABMSTFYSA-N 0 3 597.751 6.254 50 0 KKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CCN(C)C)C(=O)Cc2cc(OC)ccc2OC)cc1 ZINC000101950716 554853051 /nfs/dbraw/zinc/85/30/51/554853051.db2.gz JGCKIYSWPZNGCN-UHFFFAOYSA-N 0 3 559.732 5.782 50 0 KKAAHN Cc1cc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c(=O)[nH]c1C ZINC000101957618 554853288 /nfs/dbraw/zinc/85/32/88/554853288.db2.gz ZCPWPQGOGFMQLB-NDEPHWFRSA-N 0 3 538.692 5.636 50 0 KKAAHN COc1ccc(CNC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000102040839 554869610 /nfs/dbraw/zinc/86/96/10/554869610.db2.gz DONJQOYUORNANO-GMCHKSTQSA-N 0 3 594.722 5.823 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000102050838 554871238 /nfs/dbraw/zinc/87/12/38/554871238.db2.gz WBFSLCYZEWWMLR-PMERELPUSA-N 0 3 573.778 6.165 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000102102993 554882046 /nfs/dbraw/zinc/88/20/46/554882046.db2.gz LGSRWZQPSDLOHH-JGCGQSQUSA-N 0 3 553.791 6.598 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000102102965 554882052 /nfs/dbraw/zinc/88/20/52/554882052.db2.gz XFFPCSSFGXLHQG-WJOKGBTCSA-N 0 3 604.235 7.088 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCCN3CCc4ccccc4C3)cnn2-c2ccc(F)cc2)CC1 ZINC000102132872 554887073 /nfs/dbraw/zinc/88/70/73/554887073.db2.gz VQNNOGGYSZXNIS-UHFFFAOYSA-N 0 3 561.702 5.304 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccc(F)cc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136032 554887780 /nfs/dbraw/zinc/88/77/80/554887780.db2.gz PFYCXLBTXSSNCF-LXFBAYGMSA-N 0 3 541.589 5.531 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1OC ZINC000102312563 554910042 /nfs/dbraw/zinc/91/00/42/554910042.db2.gz LKFLRVNEZBCEAP-WUFINQPMSA-N 0 3 580.729 5.110 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000102402786 554920103 /nfs/dbraw/zinc/92/01/03/554920103.db2.gz JXJKVZHWEJWVDU-IGYGKHONSA-N 0 3 546.800 5.717 50 0 KKAAHN Cc1ccc(-c2cc3c(c(OC[C@H]4CCCN(C)C4)c2)OCCN(C(=O)c2cccc(Cn4cccn4)c2)C3)s1 ZINC000102548888 554960575 /nfs/dbraw/zinc/96/05/75/554960575.db2.gz CZZRJWORNLZJDH-VWLOTQADSA-N 0 3 556.732 5.724 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102560800 554967980 /nfs/dbraw/zinc/96/79/80/554967980.db2.gz SGRUXFBROPZOQY-PFBJBMPXSA-N 0 3 616.411 5.562 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102718597 555019337 /nfs/dbraw/zinc/01/93/37/555019337.db2.gz GWPAFWXSQKUICE-PCCBWWKXSA-N 0 3 528.200 5.263 50 0 KKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(=O)OC)cc4)[C@H]3C2=O)cc1 ZINC000102723119 555020655 /nfs/dbraw/zinc/02/06/55/555020655.db2.gz GWRWWWDNIQLMGE-KWXIBIRDSA-N 0 3 514.578 5.093 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000102748145 555042153 /nfs/dbraw/zinc/04/21/53/555042153.db2.gz XBLQPYODUNULTQ-VQJSHJPSSA-N 0 3 584.141 6.062 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102749408 555043727 /nfs/dbraw/zinc/04/37/27/555043727.db2.gz PHZGVBIVILFIRP-MPFGFTFXSA-N 0 3 518.569 5.519 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102750305 555044053 /nfs/dbraw/zinc/04/40/53/555044053.db2.gz JMXJJWRHEJZENI-TWJOJJKGSA-N 0 3 506.986 5.579 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102753921 555045639 /nfs/dbraw/zinc/04/56/39/555045639.db2.gz BOVVKZHOTIIIKU-ZGIBFIJWSA-N 0 3 534.568 5.356 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102757916 555050311 /nfs/dbraw/zinc/05/03/11/555050311.db2.gz LCFKPPVJFFJQLC-ISJGIBHGSA-N 0 3 539.802 6.958 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000102758756 555050711 /nfs/dbraw/zinc/05/07/11/555050711.db2.gz XBGLYYZHIOZHGA-RBZQAINGSA-N 0 3 512.484 5.425 50 0 KKAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000102759158 555050901 /nfs/dbraw/zinc/05/09/01/555050901.db2.gz MEKBXZLHXRDSEC-ZGIBFIJWSA-N 0 3 506.558 5.325 50 0 KKAAHN CCOc1ccc(-c2nc3ccc(C(=O)NCCN(C)Cc4ccccc4)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000102771923 555060978 /nfs/dbraw/zinc/06/09/78/555060978.db2.gz KRGMKJLWAHSKGQ-UHFFFAOYSA-N 0 3 560.698 6.623 50 0 KKAAHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000102787160 555068007 /nfs/dbraw/zinc/06/80/07/555068007.db2.gz FBJSPDULSNATLP-HSZRJFAPSA-N 0 3 552.115 6.785 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000102860594 555090840 /nfs/dbraw/zinc/09/08/40/555090840.db2.gz JKBGJHNTTIDYDC-KMDXXIMOSA-N 0 3 571.482 6.080 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000102862151 555092237 /nfs/dbraw/zinc/09/22/37/555092237.db2.gz XGGRGRIBRQXWRZ-CCDWMCETSA-N 0 3 516.619 5.163 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102883587 555112106 /nfs/dbraw/zinc/11/21/06/555112106.db2.gz TWMUDXNVQVFUQP-NHKHRBQYSA-N 0 3 552.558 5.413 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@@H](C(C)(C)C)C5)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102890089 555125118 /nfs/dbraw/zinc/12/51/18/555125118.db2.gz YLYWLVZFSPBBLJ-YUJRYHFISA-N 0 3 632.779 6.534 50 0 KKAAHN O=C(c1ccc(Cl)cc1Cl)C1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000102891040 555126581 /nfs/dbraw/zinc/12/65/81/555126581.db2.gz DRKWHMYCGUOUMF-SAYRZEODSA-N 0 3 552.845 5.661 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102891813 555127855 /nfs/dbraw/zinc/12/78/55/555127855.db2.gz DMRFTMFYUPUYNI-IARZGTGTSA-N 0 3 554.986 5.619 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893730 555131415 /nfs/dbraw/zinc/13/14/15/555131415.db2.gz YVTFFVFKFYNBFH-QAXCHELISA-N 0 3 588.591 6.258 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893969 555132049 /nfs/dbraw/zinc/13/20/49/555132049.db2.gz DCSMQSUQPJLMAR-IARZGTGTSA-N 0 3 607.421 6.411 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000102895782 555135267 /nfs/dbraw/zinc/13/52/67/555135267.db2.gz CEPACTMFKHAIAN-FKGBSIOTSA-N 0 3 555.634 5.645 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102896908 555137321 /nfs/dbraw/zinc/13/73/21/555137321.db2.gz ULDGKVJMNWIMNF-MJSOWUPRSA-N 0 3 576.630 5.659 50 0 KKAAHN Cc1cc(C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)n(C)n1 ZINC000102928771 555154488 /nfs/dbraw/zinc/15/44/88/555154488.db2.gz PCLIYQSQRUVLBO-CYXNTTPDSA-N 0 3 577.424 5.306 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102931170 555158586 /nfs/dbraw/zinc/15/85/86/555158586.db2.gz OIRWBXMOGKGXBN-IARZGTGTSA-N 0 3 599.437 5.728 50 0 KKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000103025135 555215524 /nfs/dbraw/zinc/21/55/24/555215524.db2.gz UBUGFDQTDHKARO-YPAWHYETSA-N 0 3 531.328 5.827 50 0 KKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000103025140 555215532 /nfs/dbraw/zinc/21/55/32/555215532.db2.gz YSNVCRQLJRUZRP-YTFSRNRJSA-N 0 3 511.803 5.770 50 0 KKAAHN Cc1ccc(NC(=O)N(CCN2CCCC2)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C(C)C)cc2)cc1 ZINC000103035168 555222406 /nfs/dbraw/zinc/22/24/06/555222406.db2.gz AHTCDWJLLAQSDK-PMERELPUSA-N 0 3 574.791 6.315 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@@H](OCc3ccccc3)[C@@H]2O1 ZINC000103124919 555293013 /nfs/dbraw/zinc/29/30/13/555293013.db2.gz WYGJDEYUHXVZBL-KMFVSHEXSA-N 0 3 576.656 5.072 50 0 KKAAHN COC(=O)CCCCCCC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000103184324 555330415 /nfs/dbraw/zinc/33/04/15/555330415.db2.gz UCJWZRJHACYTDB-UHFFFAOYSA-N 0 3 558.645 6.004 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190343 555333154 /nfs/dbraw/zinc/33/31/54/555333154.db2.gz QVRWSQYDIQXACY-ABYGYWHVSA-N 0 3 553.625 5.888 50 0 KKAAHN CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(CCN(C)C)Cc3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252357 555344505 /nfs/dbraw/zinc/34/45/05/555344505.db2.gz DAHQMVXFKNDONZ-AFPLUKJUSA-N 0 3 623.798 5.667 50 0 KKAAHN COc1cc(OC)cc([C@@H](CC(=O)NCCN2CCCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000103355150 555363844 /nfs/dbraw/zinc/36/38/44/555363844.db2.gz WAIGUKDIRPFYEY-SSEXGKCCSA-N 0 3 543.683 5.970 50 0 KKAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000103355302 555364038 /nfs/dbraw/zinc/36/40/38/555364038.db2.gz RFNCQQRMQIRZNF-DGWMSVCXSA-N 0 3 545.793 5.670 50 0 KKAAHN CC(C)N(C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435283 555417728 /nfs/dbraw/zinc/41/77/28/555417728.db2.gz GPYPMTXZOSLUGD-RCZVLFRGSA-N 0 3 534.544 6.889 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103523665 555427668 /nfs/dbraw/zinc/42/76/68/555427668.db2.gz QEIGNHXEFMNDAG-ANARSLNQSA-N 0 3 543.069 6.319 50 0 KKAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000103527348 555429026 /nfs/dbraw/zinc/42/90/26/555429026.db2.gz TZKKNIYAEZJSNX-OVDFTCDZSA-N 0 3 537.040 6.258 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103534083 555434347 /nfs/dbraw/zinc/43/43/47/555434347.db2.gz GNKJRLMXOWXUNH-KCIBBDPESA-N 0 3 549.001 6.335 50 0 KKAAHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000103727472 555465585 /nfs/dbraw/zinc/46/55/85/555465585.db2.gz WDOSKLSDJSTYEX-VMPREFPWSA-N 0 3 513.707 5.536 50 0 KKAAHN COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c1 ZINC000104784370 571386093 /nfs/dbraw/zinc/38/60/93/571386093.db2.gz AENSTMZWOKUDJL-XPWALMASSA-N 0 3 605.272 5.033 50 0 KKAAHN O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21 ZINC000104784449 571386132 /nfs/dbraw/zinc/38/61/32/571386132.db2.gz FULGUTCIYVSNFL-NJDAHSKKSA-N 0 3 579.665 5.669 50 0 KKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105000799 571389065 /nfs/dbraw/zinc/38/90/65/571389065.db2.gz QIMXNGXATPZSKZ-AUSIDOKSSA-N 0 3 502.055 5.633 50 0 KKAAHN Cc1ccc(CN2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105042223 571390210 /nfs/dbraw/zinc/39/02/10/571390210.db2.gz CNTXCCWOMMLYHD-WNCULLNHSA-N 0 3 516.579 6.760 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 ZINC000105791419 571408521 /nfs/dbraw/zinc/40/85/21/571408521.db2.gz KYLSEIXLSCTXTH-TZRRMPRUSA-N 0 3 562.047 5.392 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000105792519 571408750 /nfs/dbraw/zinc/40/87/50/571408750.db2.gz WFEJDWMJQSCMGU-GMQQYTKMSA-N 0 3 605.466 5.268 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106014646 571410349 /nfs/dbraw/zinc/41/03/49/571410349.db2.gz DEWWSCGSCXXTIC-JCYYIGJDSA-N 0 3 589.431 6.272 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106017653 571410561 /nfs/dbraw/zinc/41/05/61/571410561.db2.gz FUWAYZYFEKSGHJ-IDZRBWSNSA-N 0 3 589.475 7.022 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)c(OC)c3)[C@@H]2C1=O ZINC000106020762 571410840 /nfs/dbraw/zinc/41/08/40/571410840.db2.gz ABUTVTDZNVYOHY-OIFRRMEBSA-N 0 3 564.594 5.364 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106020339 571410881 /nfs/dbraw/zinc/41/08/81/571410881.db2.gz MERBINIMWJKIGN-JCYYIGJDSA-N 0 3 572.976 5.758 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000106103539 571411353 /nfs/dbraw/zinc/41/13/53/571411353.db2.gz UBUUVUDADUWAJX-RCCCQUGZSA-N 0 3 621.870 6.579 50 0 KKAAHN COc1ccc([C@H]2CC(=O)[C@@H]([C@@H]3NCCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000106348477 571412138 /nfs/dbraw/zinc/41/21/38/571412138.db2.gz ZQUBRKJSKNTGGQ-AKAGGGOCSA-N 0 3 528.958 5.675 50 0 KKAAHN COc1ccc([C@H]2CC(=O)[C@H]([C@@H]3NCCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000106348471 571412206 /nfs/dbraw/zinc/41/22/06/571412206.db2.gz ZQUBRKJSKNTGGQ-HKTJVKLFSA-N 0 3 528.958 5.675 50 0 KKAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000107385952 571420019 /nfs/dbraw/zinc/42/00/19/571420019.db2.gz RFNCQQRMQIRZNF-ZAMHBHJCSA-N 0 3 545.793 5.670 50 0 KKAAHN CCCOc1ccc(CN2CCC([C@@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3OC)CC2)cc1 ZINC000136992168 571449899 /nfs/dbraw/zinc/44/98/99/571449899.db2.gz ZNEZLTCCHRVKIG-PMERELPUSA-N 0 3 559.625 6.539 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389238 571471647 /nfs/dbraw/zinc/47/16/47/571471647.db2.gz KSDOPAKAIVDWHJ-LICLKQGHSA-N 0 3 684.195 10.422 50 0 KKAAHN COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1OC ZINC000150389226 571471670 /nfs/dbraw/zinc/47/16/70/571471670.db2.gz WUIMDMRZDTWEBW-RVDMUPIBSA-N 0 3 695.775 9.279 50 0 KKAAHN CC(C)(C)Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)OC(C)(C)C3=O)c2)c(CC(C)(C)C)c1 ZINC000150414893 571485365 /nfs/dbraw/zinc/48/53/65/571485365.db2.gz NHCSKLXMEDQTLR-SSEXGKCCSA-N 0 3 698.301 7.995 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150616921 571523212 /nfs/dbraw/zinc/52/32/12/571523212.db2.gz XFDMPGBBAKVYPR-LBHUVFDKSA-N 0 3 648.852 5.970 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150644175 571525011 /nfs/dbraw/zinc/52/50/11/571525011.db2.gz LLOMTMXQLYGCNY-GOJCVTOHSA-N 0 3 715.861 7.593 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1OC ZINC000169695544 571558837 /nfs/dbraw/zinc/55/88/37/571558837.db2.gz DSPFMEDEGSWMLD-FDFHNCONSA-N 0 3 635.298 5.042 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c(OC)c1OC ZINC000169695544 571558839 /nfs/dbraw/zinc/55/88/39/571558839.db2.gz DSPFMEDEGSWMLD-FDFHNCONSA-N 0 3 635.298 5.042 50 0 KKAAHN COC(=O)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000170620854 571562651 /nfs/dbraw/zinc/56/26/51/571562651.db2.gz BVHGOJINBRCZKA-FDFHNCONSA-N 0 3 530.886 5.197 50 0 KKAAHN Clc1ccc(Cn2nc(CNCCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1Cl ZINC000261491804 572110259 /nfs/dbraw/zinc/11/02/59/572110259.db2.gz KPGPFORSLWIOBK-UHFFFAOYSA-N 0 3 551.507 5.548 50 0 KKAAHN COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)Cc3ccsc3)cc12 ZINC000299794094 572137280 /nfs/dbraw/zinc/13/72/80/572137280.db2.gz IBILWKIWEXLRBF-UHFFFAOYSA-N 0 3 503.668 5.422 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000299800903 572138277 /nfs/dbraw/zinc/13/82/77/572138277.db2.gz WDKKIPBRQIMLKL-QCENPCRXSA-N 0 3 553.751 5.011 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000226831777 572142526 /nfs/dbraw/zinc/14/25/26/572142526.db2.gz DLEMHSYCAFTVFC-PCCBWWKXSA-N 0 3 518.194 5.807 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000226821459 572142596 /nfs/dbraw/zinc/14/25/96/572142596.db2.gz COURBZJPRAMGCV-JIMJEQGWSA-N 0 3 529.390 5.662 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000226838027 572143266 /nfs/dbraw/zinc/14/32/66/572143266.db2.gz AMHLAVZLNYUKGP-FQJHJXCSSA-N 0 3 537.830 6.209 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000226867334 572144472 /nfs/dbraw/zinc/14/44/72/572144472.db2.gz IPYLSQHNZKETOM-OIFRRMEBSA-N 0 3 548.595 5.746 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227022064 572147495 /nfs/dbraw/zinc/14/74/95/572147495.db2.gz BBOHAIIIDKKKOY-UPRLRBBYSA-N 0 3 556.521 5.244 50 0 KKAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000227054038 572148067 /nfs/dbraw/zinc/14/80/67/572148067.db2.gz MEKBXZLHXRDSEC-YTCPBCGMSA-N 0 3 506.558 5.325 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227065944 572148898 /nfs/dbraw/zinc/14/88/98/572148898.db2.gz DEWWSCGSCXXTIC-UPRLRBBYSA-N 0 3 589.431 6.272 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000227085152 572149648 /nfs/dbraw/zinc/14/96/48/572149648.db2.gz BXXVVYZUTAEBKP-JIMJEQGWSA-N 0 3 551.437 5.688 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227085418 572149881 /nfs/dbraw/zinc/14/98/81/572149881.db2.gz NGPGDNUELGEEOY-MNFIMQGSSA-N 0 3 550.655 5.601 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000227232135 572151061 /nfs/dbraw/zinc/15/10/61/572151061.db2.gz BNIOAGSFSYMSRP-OIFRRMEBSA-N 0 3 564.594 5.364 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@@H](C(C)(C)C)C5)C(=O)C3ON2c2ccccc2)cc1OC ZINC000227235451 572151663 /nfs/dbraw/zinc/15/16/63/572151663.db2.gz YLYWLVZFSPBBLJ-YDRLCCHASA-N 0 3 632.779 6.534 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227244480 572152749 /nfs/dbraw/zinc/15/27/49/572152749.db2.gz HXMUMYVNZGBUIT-ZGIBFIJWSA-N 0 3 585.454 6.088 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000229967288 572174659 /nfs/dbraw/zinc/17/46/59/572174659.db2.gz UUSRNNSJYSJHQE-CTMYTVLESA-N 0 3 544.676 6.611 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000230029780 572180247 /nfs/dbraw/zinc/18/02/47/572180247.db2.gz GYFODTYWKZNASI-HEEDUKKLSA-N 0 3 544.673 5.737 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Br)cc5)o4)[C@@H]3C2=O)cc1 ZINC000230030999 572180283 /nfs/dbraw/zinc/18/02/83/572180283.db2.gz VPGWVCQZJPOUKZ-JIMJEQGWSA-N 0 3 529.390 6.069 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000230077037 572182971 /nfs/dbraw/zinc/18/29/71/572182971.db2.gz DQWOZLGJVALEIT-RVQNBHMFSA-N 0 3 558.792 5.710 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000230189061 572185074 /nfs/dbraw/zinc/18/50/74/572185074.db2.gz UZAVEVBWGKVKHW-CTMYTVLESA-N 0 3 544.582 5.690 50 0 KKAAHN CN(C)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000238937225 572189630 /nfs/dbraw/zinc/18/96/30/572189630.db2.gz ULTDZXNXCGCCHO-DNVJHFABSA-N 0 3 515.919 5.476 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000245246811 572219878 /nfs/dbraw/zinc/21/98/78/572219878.db2.gz OTRWQNZKWQMCSF-BQUCCUTGSA-N 0 3 551.067 6.648 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245246817 572219987 /nfs/dbraw/zinc/21/99/87/572219987.db2.gz OYNRONYGRHGLMX-DYIKCSJPSA-N 0 3 584.650 5.294 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000245309658 572227590 /nfs/dbraw/zinc/22/75/90/572227590.db2.gz DYRVIGRDKPJWKJ-OZNIXHKMSA-N 0 3 545.422 6.624 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245310433 572228652 /nfs/dbraw/zinc/22/86/52/572228652.db2.gz JIKZPGGKQQGBMI-KCIBBDPESA-N 0 3 546.026 5.981 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)c1 ZINC000245312503 572229821 /nfs/dbraw/zinc/22/98/21/572229821.db2.gz VCKRTHALUFDKKU-TWJOJJKGSA-N 0 3 519.384 6.613 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245312600 572229928 /nfs/dbraw/zinc/22/99/28/572229928.db2.gz WFPBKOUFZWTAQN-CTMYTVLESA-N 0 3 528.583 6.072 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245325552 572231389 /nfs/dbraw/zinc/23/13/89/572231389.db2.gz FQGSVNRQXHCQSE-AOFBEVEVSA-N 0 3 563.028 6.644 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245325552 572231392 /nfs/dbraw/zinc/23/13/92/572231392.db2.gz FQGSVNRQXHCQSE-AOFBEVEVSA-N 0 3 563.028 6.644 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@H]3C2=O)cc1 ZINC000245326507 572232961 /nfs/dbraw/zinc/23/29/61/572232961.db2.gz KYLSEIXLSCTXTH-WXFUMESZSA-N 0 3 562.047 5.392 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(F)cc5)o4)[C@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000245329034 572235101 /nfs/dbraw/zinc/23/51/01/572235101.db2.gz XADVKYJPWGMYDS-PNRQCZBRSA-N 0 3 628.722 7.136 50 0 KKAAHN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247869307 572247132 /nfs/dbraw/zinc/24/71/32/572247132.db2.gz QCZVVRHAUQNQQT-PMERELPUSA-N 0 3 587.743 6.310 50 0 KKAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCCN5CCCC[C@H]5C)CC4)ccc3o2)cc1 ZINC000248089785 572253414 /nfs/dbraw/zinc/25/34/14/572253414.db2.gz MHDRXGOVDKXBQJ-PKTZIBPZSA-N 0 3 516.686 5.282 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3ccccc3OC)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248154736 572255755 /nfs/dbraw/zinc/25/57/55/572255755.db2.gz YGUOXEUPVQIVIQ-IGYGKHONSA-N 0 3 512.694 6.138 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000248156198 572255964 /nfs/dbraw/zinc/25/59/64/572255964.db2.gz IOJSFOKYYCHIOW-RVFYRNJKSA-N 0 3 656.864 7.531 50 0 KKAAHN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253531192 572298783 /nfs/dbraw/zinc/29/87/83/572298783.db2.gz UVVRCAOQNORAME-GHQXUOFESA-N 0 3 525.862 8.816 50 0 KKAAHN COc1ccc([C@@](O)([C@@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734252 1069837960 /nfs/dbraw/zinc/83/79/60/1069837960.db2.gz NCHYNYKOJPQQIY-SLPFEWDZSA-N 0 3 609.254 8.308 50 0 KKAAHN COc1ccc([C@@](O)([C@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734253 1069837567 /nfs/dbraw/zinc/83/75/67/1069837567.db2.gz NCHYNYKOJPQQIY-XCEDALPCSA-N 0 3 609.254 8.308 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1)Cc1ccc2ncccc2c1 ZINC000102410426 1069857099 /nfs/dbraw/zinc/85/70/99/1069857099.db2.gz XUKSNNQMMSTVND-VWLOTQADSA-N 0 3 547.621 6.817 50 0 KKAAHN C[C@H](NCc1cc2cc3c(cc2nc1N1CCN(c2cccc(Cl)c2)CC1)OCO3)c1cccs1 ZINC000012246978 1071240100 /nfs/dbraw/zinc/24/01/00/1071240100.db2.gz FCCZQWUDXSQTHR-SFHVURJKSA-N 0 3 507.059 5.856 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000001277684 551635958 /nfs/dbraw/zinc/63/59/58/551635958.db2.gz FSTVWFOEGZOODZ-QODLHPCFSA-N 0 3 551.067 6.566 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001897498 551728807 /nfs/dbraw/zinc/72/88/07/551728807.db2.gz BOSBRCJAAOCVFI-CCDWMCETSA-N 0 3 584.253 7.067 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000001897498 551728808 /nfs/dbraw/zinc/72/88/08/551728808.db2.gz BOSBRCJAAOCVFI-CCDWMCETSA-N 0 3 584.253 7.067 50 0 KKAAHN O=C(CNCCc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000002072935 551748057 /nfs/dbraw/zinc/74/80/57/551748057.db2.gz IAWONNRNRRMXDV-UHFFFAOYSA-N 0 3 512.473 5.413 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000002426286 552116905 /nfs/dbraw/zinc/11/69/05/552116905.db2.gz VRNAWRRLTGUUOX-DSNGMDLFSA-N 0 3 523.347 6.444 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000002589119 552131817 /nfs/dbraw/zinc/13/18/17/552131817.db2.gz MERBINIMWJKIGN-FCEKVYKBSA-N 0 3 572.976 5.758 50 0 KKAAHN COc1cc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654161 552147991 /nfs/dbraw/zinc/14/79/91/552147991.db2.gz YKDGTSAUMCIKQF-NGQVCNFZSA-N 0 3 563.019 8.252 50 0 KKAAHN CC(C)(C)c1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967689 552237883 /nfs/dbraw/zinc/23/78/83/552237883.db2.gz IUPZPTQZMZAJBR-HSZRJFAPSA-N 0 3 516.692 5.644 50 0 KKAAHN CC(C)(C)c1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000002967824 552238446 /nfs/dbraw/zinc/23/84/46/552238446.db2.gz ZOSHMCUNGDPNQS-QHCPKHFHSA-N 0 3 500.624 5.176 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968380 552240498 /nfs/dbraw/zinc/24/04/98/552240498.db2.gz VGYQUYXYPKSDEC-ZEQRLZLVSA-N 0 3 578.069 5.295 50 0 KKAAHN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000003061304 552282116 /nfs/dbraw/zinc/28/21/16/552282116.db2.gz OPCNUAUQIIIFHX-PPFNPFNJSA-N 0 3 573.762 7.069 50 0 KKAAHN COc1ccc(C[C@@H]2c3cc(OCc4ccccc4)c(OC)cc3CCN2C)cc1OCc1ccccc1 ZINC000003124418 552291336 /nfs/dbraw/zinc/29/13/36/552291336.db2.gz KPLQJTFFMWUSLS-GDLZYMKVSA-N 0 3 509.646 6.634 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(c2ccccc2)CC1 ZINC000003268715 552331018 /nfs/dbraw/zinc/33/10/18/552331018.db2.gz DEZKKHQYVLMBTL-NRFANRHFSA-N 0 3 543.303 5.503 50 0 KKAAHN COc1ccc([C@@H](CNC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)N2CCCC2)cc1 ZINC000003504461 552390714 /nfs/dbraw/zinc/39/07/14/552390714.db2.gz GGSSFDMKZUJVAA-WJOKGBTCSA-N 0 3 520.677 5.369 50 0 KKAAHN O=C(CCNC(=O)OCc1ccccc1)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014910 552426522 /nfs/dbraw/zinc/42/65/22/552426522.db2.gz AQAVBDNAEXJSHN-UHFFFAOYSA-N 0 3 623.753 7.514 50 0 KKAAHN CC(C(=O)NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)(c1ccccc1)c1ccccc1 ZINC000004122255 552440175 /nfs/dbraw/zinc/44/01/75/552440175.db2.gz YNOXYKBSVSXEKF-UHFFFAOYSA-N 0 3 534.729 5.828 50 0 KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166827 552557245 /nfs/dbraw/zinc/55/72/45/552557245.db2.gz VHMTYPVEQJUWTF-UHFFFAOYSA-N 0 3 632.075 8.599 50 0 KKAAHN O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000006446148 552588645 /nfs/dbraw/zinc/58/86/45/552588645.db2.gz HYMGRBVJUAZEGL-VWLOTQADSA-N 0 3 578.348 7.383 50 0 KKAAHN CCCCCOc1ccc(C(=O)[C@H](CCCC[C@H](CN(C)C)C(=O)c2ccc(OCCCCC)cc2)CN(C)C)cc1 ZINC000006472252 552592001 /nfs/dbraw/zinc/59/20/01/552592001.db2.gz DCCVKJJGCWASFE-ROJLCIKYSA-N 0 3 580.854 7.806 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@H](CCCC[C@H](CN(C)C)C(=O)c2ccc(OCCCC)cc2)CN(C)C)cc1 ZINC000006480894 552593745 /nfs/dbraw/zinc/59/37/45/552593745.db2.gz CETPKDROUAYFOD-LOYHVIPDSA-N 0 3 552.800 7.026 50 0 KKAAHN OCCN(C/C=C1\c2ccccc2CSc2ccccc21)C/C=C1/c2ccccc2CSc2ccccc21 ZINC000008385593 552991103 /nfs/dbraw/zinc/99/11/03/552991103.db2.gz SSRKGACISNDXPM-QCOHSWCKSA-N 0 3 533.762 7.756 50 0 KKAAHN Cc1noc(-c2ccc(CN3CCC(C(O)(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)CC3)cc2)n1 ZINC000008448288 553055805 /nfs/dbraw/zinc/05/58/05/553055805.db2.gz LIHSNEMXLZQEGT-UHFFFAOYSA-N 0 3 607.551 6.990 50 0 KKAAHN CC(C)Oc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000008448293 553055829 /nfs/dbraw/zinc/05/58/29/553055829.db2.gz ZIKLTMBGGPXCAP-UHFFFAOYSA-N 0 3 551.571 7.660 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000008455754 553073445 /nfs/dbraw/zinc/07/34/45/553073445.db2.gz HBSXTQMSWWPYTI-UHFFFAOYSA-N 0 3 500.440 6.059 50 0 KKAAHN COc1ccc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c(OC)c1 ZINC000008591372 553082472 /nfs/dbraw/zinc/08/24/72/553082472.db2.gz DWGZFDVUTKXFQN-UHFFFAOYSA-N 0 3 513.594 6.144 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CCC[C@@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000008732606 553130340 /nfs/dbraw/zinc/13/03/40/553130340.db2.gz OAFRDWCVIBXSEZ-MKPDMIMOSA-N 0 3 510.719 5.856 50 0 KKAAHN CSc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763387 553137791 /nfs/dbraw/zinc/13/77/91/553137791.db2.gz WTMHMIQZQQQCNR-LJAQVGFWSA-N 0 3 530.759 7.976 50 0 KKAAHN Cc1c(Br)cc2c(c1Br)OCC(CN1CCCCC1)(CN1CCCCC1)C2=O ZINC000008926178 553191016 /nfs/dbraw/zinc/19/10/16/553191016.db2.gz OUKLAUASYZRWEQ-UHFFFAOYSA-N 0 3 514.302 5.053 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009109954 553210041 /nfs/dbraw/zinc/21/00/41/553210041.db2.gz RXRRNGSZPYTQOJ-PAHOUZJPSA-N 0 3 503.385 5.556 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009360854 553248637 /nfs/dbraw/zinc/24/86/37/553248637.db2.gz HOBRZDUCKCYXAT-MHZLTWQESA-N 0 3 516.483 6.860 50 0 KKAAHN COc1cc(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000009429699 553260741 /nfs/dbraw/zinc/26/07/41/553260741.db2.gz YKERBZRDAPPJMU-UHFFFAOYSA-N 0 3 533.625 5.140 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009433191 553262892 /nfs/dbraw/zinc/26/28/92/553262892.db2.gz SDOFMFCDEVRPSV-VSGBNLITSA-N 0 3 501.696 5.466 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009433193 553262976 /nfs/dbraw/zinc/26/29/76/553262976.db2.gz SDOFMFCDEVRPSV-WUFINQPMSA-N 0 3 501.696 5.466 50 0 KKAAHN CN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433507 553263338 /nfs/dbraw/zinc/26/33/38/553263338.db2.gz QEURWTABXZDXKQ-WUFINQPMSA-N 0 3 501.696 5.610 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461957 553267955 /nfs/dbraw/zinc/26/79/55/553267955.db2.gz MLADYYQGAXHTPF-NRFANRHFSA-N 0 3 509.275 6.502 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4ccc(Cl)cc4)nn3cnc1O2 ZINC000009486973 553272906 /nfs/dbraw/zinc/27/29/06/553272906.db2.gz HDMRPLXQKCDDGG-QHCPKHFHSA-N 0 3 510.941 5.730 50 0 KKAAHN COc1cc(CN2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)ccc1OCc1ccccc1 ZINC000009805733 553308630 /nfs/dbraw/zinc/30/86/30/553308630.db2.gz KGZZUVRNWIGQNF-UHFFFAOYSA-N 0 3 527.709 5.452 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)F)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000011859562 553346415 /nfs/dbraw/zinc/34/64/15/553346415.db2.gz NDOMFXDRSADJGA-QHAWAJNXSA-N 0 3 504.411 5.358 50 0 KKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CCN(C)C)C(=O)CCn2ccc(C)n2)cc1 ZINC000011881955 553348546 /nfs/dbraw/zinc/34/85/46/553348546.db2.gz JIDPEECICAJJSJ-UHFFFAOYSA-N 0 3 517.699 5.118 50 0 KKAAHN COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)c3ccc4c(c3)OCO4)cc12 ZINC000011968398 553349746 /nfs/dbraw/zinc/34/97/46/553349746.db2.gz RDRGKEOVXPKLMI-UHFFFAOYSA-N 0 3 527.621 5.160 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c1)Cc1ccc2ncccc2c1 ZINC000012218541 553354509 /nfs/dbraw/zinc/35/45/09/553354509.db2.gz XPZYMZAUFCMFQV-VWLOTQADSA-N 0 3 523.633 5.527 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c1)Cc1ccc2ncccc2c1 ZINC000012218540 553354530 /nfs/dbraw/zinc/35/45/30/553354530.db2.gz XPZYMZAUFCMFQV-RUZDIDTESA-N 0 3 523.633 5.527 50 0 KKAAHN C[C@H]1CCCN(Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cnc3ccccc3c2)C1 ZINC000012244721 553355070 /nfs/dbraw/zinc/35/50/70/553355070.db2.gz DGNHCIXCJZFXMA-QFIPXVFZSA-N 0 3 523.633 5.558 50 0 KKAAHN COc1ccc(NC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@H](C)C2)c(C)c1 ZINC000012282332 553356263 /nfs/dbraw/zinc/35/62/63/553356263.db2.gz HETQYIZWOAJJHD-FQEVSTJZSA-N 0 3 502.611 5.649 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@]3(C)C2=O)cc1Cl ZINC000012462296 553367311 /nfs/dbraw/zinc/36/73/11/553367311.db2.gz SGTAIIVFUJOSCB-HWBMXIPRSA-N 0 3 511.803 5.852 50 0 KKAAHN C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@H](c1cccs1)N1CCCC1 ZINC000012498103 553382030 /nfs/dbraw/zinc/38/20/30/553382030.db2.gz QTFXBQOZVSBZQK-JIYROHSKSA-N 0 3 517.698 7.586 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013787930 553491063 /nfs/dbraw/zinc/49/10/63/553491063.db2.gz RUPCLJMTESUGJN-UBFVSLLYSA-N 0 3 517.354 5.793 50 0 KKAAHN C[C@H](c1nccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000014973230 553522949 /nfs/dbraw/zinc/52/29/49/553522949.db2.gz VQDNAGMATKKGOW-XMMPIXPASA-N 0 3 532.754 5.859 50 0 KKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CCN(C)C)C(=O)c2cccc(F)c2)cc1 ZINC000014984827 553523674 /nfs/dbraw/zinc/52/36/74/553523674.db2.gz MTUZZCYWYLFOHE-UHFFFAOYSA-N 0 3 503.643 5.975 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N21 ZINC000015999253 553549663 /nfs/dbraw/zinc/54/96/63/553549663.db2.gz JNONEFZBHJQXSE-FQNXFSSYSA-N 0 3 519.000 6.055 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018068720 553603076 /nfs/dbraw/zinc/60/30/76/553603076.db2.gz LKDPKYSTNRLRGA-NHKHRBQYSA-N 0 3 508.574 5.688 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018152800 553606301 /nfs/dbraw/zinc/60/63/01/553606301.db2.gz YOUZGMQPDKYUSK-NHKHRBQYSA-N 0 3 530.621 5.714 50 0 KKAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)CN2CCN(C)CC2)c2ccccc12 ZINC000019362980 553613648 /nfs/dbraw/zinc/61/36/48/553613648.db2.gz KUXIXKQQVHSSSQ-MHZLTWQESA-N 0 3 539.720 5.636 50 0 KKAAHN CCSc1nc2sc3c(c2c(N2CCN(C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000020358565 553642939 /nfs/dbraw/zinc/64/29/39/553642939.db2.gz RZCCESPQOYVSLX-UHFFFAOYSA-N 0 3 530.763 6.566 50 0 KKAAHN CC[C@H](NC(=O)Nc1ccc(Br)c(C)c1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020386559 553644152 /nfs/dbraw/zinc/64/41/52/553644152.db2.gz BWHDYMIKMBCTFH-FQEVSTJZSA-N 0 3 501.494 6.261 50 0 KKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412840 553647350 /nfs/dbraw/zinc/64/73/50/553647350.db2.gz GCGDEQDQFMMORL-TUJTZPINSA-N 0 3 519.129 6.361 50 0 biogenic KKAAHN COc1ccc(C(=O)[C@@H](C[C@@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000020036348 553667595 /nfs/dbraw/zinc/66/75/95/553667595.db2.gz UIAMBVTUVXCGFO-SVBPBHIXSA-N 0 3 506.687 5.364 50 0 KKAAHN COc1ccc(CN(CCN(C)C)C(=O)CC(C)(C)C)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000085412867 553680714 /nfs/dbraw/zinc/68/07/14/553680714.db2.gz YVOBSVBRSBXTGR-UHFFFAOYSA-N 0 3 531.502 5.096 50 0 KKAAHN CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020682272 553688264 /nfs/dbraw/zinc/68/82/64/553688264.db2.gz FKEUNPFFMDONJF-UHFFFAOYSA-N 0 3 508.666 5.238 50 0 KKAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000020733725 553692939 /nfs/dbraw/zinc/69/29/39/553692939.db2.gz LFVVKASEIAJBHO-CLVVTTMOSA-N 0 3 530.068 5.911 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000020736625 553694034 /nfs/dbraw/zinc/69/40/34/553694034.db2.gz YCULYACYOQWLGP-ZXVVBBHZSA-N 0 3 518.082 5.846 50 0 KKAAHN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000021162972 553708887 /nfs/dbraw/zinc/70/88/87/553708887.db2.gz XBHHJKGQMCNKRO-UHFFFAOYSA-N 0 3 521.709 5.174 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCCCC)cc2)CN2CCCCC2)cc1 ZINC000095785645 553713152 /nfs/dbraw/zinc/71/31/52/553713152.db2.gz JCFZFJXVZYBZTM-HEVIKAOCSA-N 0 3 604.876 8.094 50 0 KKAAHN CCOc1cc(CN(Cc2ccc(OC)c(OCC)c2)[C@@H](Cc2ccccc2)c2ccccc2)ccc1OC ZINC000022078854 553725863 /nfs/dbraw/zinc/72/58/63/553725863.db2.gz CYAHCSHHQPVKGY-PMERELPUSA-N 0 3 525.689 7.487 50 0 KKAAHN Clc1ccc2c(c1)nccc2N1CCN(CCN2CCN(c3ccnc4cc(Cl)ccc43)CC2)CC1 ZINC000022789609 553750196 /nfs/dbraw/zinc/75/01/96/553750196.db2.gz PKWRDINGSMLJDU-UHFFFAOYSA-N 0 3 521.496 5.034 50 0 KKAAHN CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CCN(CCCNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000022790736 553750703 /nfs/dbraw/zinc/75/07/03/553750703.db2.gz JIHQDDPOJWHYJV-IWGRKNQJSA-N 0 3 572.838 5.638 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000097952601 553817040 /nfs/dbraw/zinc/81/70/40/553817040.db2.gz MIDUIQKOYYYSTN-QHAWAJNXSA-N 0 3 517.301 5.519 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954386 553822937 /nfs/dbraw/zinc/82/29/37/553822937.db2.gz YOVKUQJTLIWORX-UBFVSLLYSA-N 0 3 523.347 6.444 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000097954679 553824773 /nfs/dbraw/zinc/82/47/73/553824773.db2.gz LMJKUQKVRQKBDU-VJGNERBWSA-N 0 3 542.950 5.749 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4Br)nn3cnc1O2 ZINC000097954753 553825432 /nfs/dbraw/zinc/82/54/32/553825432.db2.gz AULVRMUOKHWWMX-QHCPKHFHSA-N 0 3 535.405 6.334 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(CSc4nc5ccccc5o4)nn3cnc1O2 ZINC000097956283 553837297 /nfs/dbraw/zinc/83/72/97/553837297.db2.gz ZEPVKQYRTGUZOV-QHCPKHFHSA-N 0 3 533.573 5.931 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C ZINC000030726863 553855547 /nfs/dbraw/zinc/85/55/47/553855547.db2.gz YVPXVXANRNDGTA-WDYNHAJCSA-N 0 3 606.719 6.874 50 0 aggregator,biogenic,world KKAAHN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000032986685 553886641 /nfs/dbraw/zinc/88/66/41/553886641.db2.gz QADFJEVOARRCLQ-UHFFFAOYSA-N 0 3 500.042 6.348 50 0 KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963595 553892166 /nfs/dbraw/zinc/89/21/66/553892166.db2.gz IRJZGCAATCWZCC-UHFFFAOYSA-N 0 3 561.770 5.290 50 0 KKAAHN COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963578 553892193 /nfs/dbraw/zinc/89/21/93/553892193.db2.gz VHWDSVCGMUPCOW-UHFFFAOYSA-N 0 3 563.786 5.249 50 0 KKAAHN CCCCN[C@@H](c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000097966193 553907359 /nfs/dbraw/zinc/90/73/59/553907359.db2.gz KTQKWBQWIXXNAY-XMMPIXPASA-N 0 3 552.538 7.245 50 0 KKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)cc1 ZINC000033356347 553940942 /nfs/dbraw/zinc/94/09/42/553940942.db2.gz WESLSBUIKOWTDR-UHFFFAOYSA-N 0 3 536.654 5.070 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671734 553982414 /nfs/dbraw/zinc/98/24/14/553982414.db2.gz NRPXGIXNMOUMOX-ROJLCIKYSA-N 0 3 505.662 6.012 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698100 553991076 /nfs/dbraw/zinc/99/10/76/553991076.db2.gz YBQYUFAOVUFATD-RBJSKKJNSA-N 0 3 523.599 5.392 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)C4CCCC4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698109 553991082 /nfs/dbraw/zinc/99/10/82/553991082.db2.gz CNFGSVWYBVOVGZ-KCWPFWIISA-N 0 3 515.620 5.268 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698406 553991099 /nfs/dbraw/zinc/99/10/99/553991099.db2.gz VKQHZIOKWUMCDC-WNCULLNHSA-N 0 3 511.563 5.523 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3ccccc3OC)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699249 553992250 /nfs/dbraw/zinc/99/22/50/553992250.db2.gz YGUOXEUPVQIVIQ-BVRKHOPBSA-N 0 3 512.694 6.138 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3ccccc3OC)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699248 553992451 /nfs/dbraw/zinc/99/24/51/553992451.db2.gz YGUOXEUPVQIVIQ-VEEOACQBSA-N 0 3 512.694 6.138 50 0 KKAAHN Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716677 553995656 /nfs/dbraw/zinc/99/56/56/553995656.db2.gz VPGIDMQPCKRJFS-XZOQPEGZSA-N 0 3 518.982 6.728 50 0 KKAAHN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716676 553995690 /nfs/dbraw/zinc/99/56/90/553995690.db2.gz VPGIDMQPCKRJFS-DHIUTWEWSA-N 0 3 518.982 6.728 50 0 KKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1 ZINC000034716588 553995721 /nfs/dbraw/zinc/99/57/21/553995721.db2.gz GLMDYCBUKYPIDM-YADHBBJMSA-N 0 3 504.955 6.420 50 0 KKAAHN CCOc1cc([C@H]2NC[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982272 554000574 /nfs/dbraw/zinc/00/05/74/554000574.db2.gz XABJVGMMVLQHNK-QPQHGXMVSA-N 0 3 613.552 7.620 50 0 KKAAHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000034785609 554004037 /nfs/dbraw/zinc/00/40/37/554004037.db2.gz ZGSHDAVFZCBTMG-UHFFFAOYSA-N 0 3 507.013 5.510 50 0 KKAAHN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034830125 554014551 /nfs/dbraw/zinc/01/45/51/554014551.db2.gz JPOOTSDVFNVPJE-MNNSJKJDSA-N 0 3 501.696 5.021 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(COc5ccccc5C)nc4c32)cc1OC ZINC000098000268 554049534 /nfs/dbraw/zinc/04/95/34/554049534.db2.gz PKELZTWOEPHGDN-MUUNZHRXSA-N 0 3 560.614 5.809 50 0 KKAAHN COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c(Cl)c2n1 ZINC000098005771 554058511 /nfs/dbraw/zinc/05/85/11/554058511.db2.gz IIOXLBPNWMZACS-UHFFFAOYSA-N 0 3 574.047 5.804 50 0 KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2cccc(Cl)c2)SCC1=O ZINC000098011168 554078120 /nfs/dbraw/zinc/07/81/20/554078120.db2.gz YWRFXKBEUDHRHH-LJAQVGFWSA-N 0 3 578.113 5.179 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccn2)[C@@]12c1ccccc1NC2=O ZINC000035833215 554080142 /nfs/dbraw/zinc/08/01/42/554080142.db2.gz HENPRBOQZDFZSD-CTMYTVLESA-N 0 3 525.608 5.636 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035842739 554081708 /nfs/dbraw/zinc/08/17/08/554081708.db2.gz LODBRYBDDRSALY-UHFFFAOYSA-N 0 3 509.738 7.195 50 0 KKAAHN CCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)n1 ZINC000098015053 554095133 /nfs/dbraw/zinc/09/51/33/554095133.db2.gz FYFMYKXQQOPDTM-UHFFFAOYSA-N 0 3 581.742 5.312 50 0 KKAAHN Cc1ccccc1CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000098020065 554116177 /nfs/dbraw/zinc/11/61/77/554116177.db2.gz ZSHWEVLDVGETDR-UHFFFAOYSA-N 0 3 536.547 7.513 50 0 KKAAHN CCCCc1ccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042724 554121789 /nfs/dbraw/zinc/12/17/89/554121789.db2.gz FXRWOJXYUBPKRT-UHFFFAOYSA-N 0 3 586.618 7.734 50 0 KKAAHN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)CNC(c3ccccc3)c3ccccc3)cc21 ZINC000098045246 554131319 /nfs/dbraw/zinc/13/13/19/554131319.db2.gz VUTNZUYSTIXPOS-LJAQVGFWSA-N 0 3 548.683 6.294 50 0 KKAAHN COc1cccc(CNC(=O)CCCC(=O)Nc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)c1 ZINC000098045559 554132406 /nfs/dbraw/zinc/13/24/06/554132406.db2.gz RCFYZLMNDZGOTD-UHFFFAOYSA-N 0 3 576.741 6.032 50 0 KKAAHN CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN(C)C)C(=O)c2ccccc2)cc1 ZINC000036046197 554153825 /nfs/dbraw/zinc/15/38/25/554153825.db2.gz CQWHXDXDLBNLPE-UHFFFAOYSA-N 0 3 509.654 5.305 50 0 KKAAHN CC(C)c1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN(C)C)C(=O)c2cccs2)cc1 ZINC000036046196 554153842 /nfs/dbraw/zinc/15/38/42/554153842.db2.gz PUIJOQRFKIPDEO-UHFFFAOYSA-N 0 3 515.683 5.367 50 0 KKAAHN Cc1cccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000036071028 554167964 /nfs/dbraw/zinc/16/79/64/554167964.db2.gz ODRFZACXVUSIPO-UHFFFAOYSA-N 0 3 518.017 5.022 50 0 KKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036301743 554211691 /nfs/dbraw/zinc/21/16/91/554211691.db2.gz GVYXTFCBYNRAON-DEOSSOPVSA-N 0 3 500.083 6.260 50 0 KKAAHN COc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)COCc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302342 554212316 /nfs/dbraw/zinc/21/23/16/554212316.db2.gz BHTWEZKQXFIGPK-NDEPHWFRSA-N 0 3 529.681 6.017 50 0 KKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036302840 554212767 /nfs/dbraw/zinc/21/27/67/554212767.db2.gz ZPLQYINEJRCKCA-MHZLTWQESA-N 0 3 511.666 6.051 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036304263 554214383 /nfs/dbraw/zinc/21/43/83/554214383.db2.gz KYAXCRBSMHULSO-AREMUKBSSA-N 0 3 503.593 6.067 50 0 KKAAHN COc1cccc(Oc2c(CN(CC(C)C)C[C@@H](O)COc3ccccc3C)c(-c3ccccc3)nn2C)c1 ZINC000036305282 554215243 /nfs/dbraw/zinc/21/52/43/554215243.db2.gz JTEGOQLYQMSDOM-AREMUKBSSA-N 0 3 529.681 6.094 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COCc2ccco2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307285 554216336 /nfs/dbraw/zinc/21/63/36/554216336.db2.gz OAJPBJDNVYUPCY-XMMPIXPASA-N 0 3 505.590 5.401 50 0 KKAAHN CCCCOC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036313655 554218999 /nfs/dbraw/zinc/21/89/99/554218999.db2.gz JZPBACIITUDIHE-RUZDIDTESA-N 0 3 500.083 6.262 50 0 KKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)cc3ccccc32)cc1 ZINC000045994236 554317334 /nfs/dbraw/zinc/31/73/34/554317334.db2.gz FUNHQQOPWZXIED-UHFFFAOYSA-N 0 3 500.086 6.222 50 0 KKAAHN COc1ccc([C@H](c2c(C)[nH]c3ccccc32)N2CCN([C@@H](c3c(C)[nH]c4ccccc43)c3ccc(OC)cc3)CC2)cc1 ZINC000100868773 554497422 /nfs/dbraw/zinc/49/74/22/554497422.db2.gz YPTZLBMZADCDLD-XPSQVAKYSA-N 0 3 584.764 7.780 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H](c1ccc(F)cc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000100868778 554497536 /nfs/dbraw/zinc/49/75/36/554497536.db2.gz CCGBCMYLKHZNND-TYHGNQNSSA-N 0 3 560.692 8.041 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1nc2ccc(F)cc2s1 ZINC000060209758 554503674 /nfs/dbraw/zinc/50/36/74/554503674.db2.gz MPTYMLVILPFUTB-UHFFFAOYSA-N 0 3 554.713 5.245 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2c(cccc2F)s1 ZINC000060209985 554503849 /nfs/dbraw/zinc/50/38/49/554503849.db2.gz AGOVELOYCAVADP-UHFFFAOYSA-N 0 3 546.734 5.377 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1)c1nc2cc(OC)ccc2s1 ZINC000060210175 554504100 /nfs/dbraw/zinc/50/41/00/554504100.db2.gz DZDXEFNUWWRKJH-UHFFFAOYSA-N 0 3 580.776 5.504 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000064373444 554510853 /nfs/dbraw/zinc/51/08/53/554510853.db2.gz MYKURCFTIZBVPS-MPQQFYCHSA-N 0 3 574.718 6.089 50 0 biogenic KKAAHN CN1CCC(N2CCN(C(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)CN3Cc3ccc4c(c3)Cc3ccccc3-4)CC2)CC1 ZINC000100890045 554511581 /nfs/dbraw/zinc/51/15/81/554511581.db2.gz IVMOSHFMAARMIX-FJQKOURKSA-N 0 3 584.805 5.371 50 0 KKAAHN COc1ccc2cc3cc(C(=O)NCCCN4CCN(C5CCCCC5)CC4)sc3nc2c1Cl ZINC000065330838 554526327 /nfs/dbraw/zinc/52/63/27/554526327.db2.gz GWVLFVKKNUYDPS-UHFFFAOYSA-N 0 3 501.096 5.182 50 0 KKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997806 554538126 /nfs/dbraw/zinc/53/81/26/554538126.db2.gz GGRFXCGOSHLLEF-WMPKNSHKSA-N 0 3 670.468 7.556 50 0 KKAAHN COc1cc(C[C@H]2NCCc3cc(OCc4ccccc4)c(OCc4ccccc4)c(OC)c32)ccc1OCc1ccccc1 ZINC000101013572 554558941 /nfs/dbraw/zinc/55/89/41/554558941.db2.gz WEWHXOWKLPPEOF-MGBGTMOVSA-N 0 3 601.743 7.870 50 0 KKAAHN Cc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)c2ccccc2F)c1 ZINC000101054596 554569194 /nfs/dbraw/zinc/56/91/94/554569194.db2.gz SVUROWMMISNFEK-UHFFFAOYSA-N 0 3 534.035 5.283 50 0 KKAAHN COc1ccc(OC)c(CC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCCN(C)C3)C2)c1 ZINC000101056260 554569507 /nfs/dbraw/zinc/56/95/07/554569507.db2.gz ASLIKJJMMURXMZ-QFIPXVFZSA-N 0 3 550.721 5.425 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101084560 554580325 /nfs/dbraw/zinc/58/03/25/554580325.db2.gz INWYHPSPQCSFKE-UBFVSLLYSA-N 0 3 584.253 7.067 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101094387 554583714 /nfs/dbraw/zinc/58/37/14/554583714.db2.gz JPHYZFCYTPLGCN-PFBJBMPXSA-N 0 3 524.960 5.610 50 0 KKAAHN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000101108540 554640723 /nfs/dbraw/zinc/64/07/23/554640723.db2.gz ULIKCZMPVPEXBG-FZIXDTKSSA-N 0 3 584.727 6.967 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101111011 554641649 /nfs/dbraw/zinc/64/16/49/554641649.db2.gz QUTMYCXWAXWEMC-CYXNTTPDSA-N 0 3 541.431 6.232 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101112099 554641959 /nfs/dbraw/zinc/64/19/59/554641959.db2.gz WESRLCLWSYRRLZ-CYXNTTPDSA-N 0 3 506.986 5.579 50 0 KKAAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1cncc(Br)c1 ZINC000101113921 554642498 /nfs/dbraw/zinc/64/24/98/554642498.db2.gz DUJHGQOCSRGIMM-UHFFFAOYSA-N 0 3 572.429 5.961 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101122849 554644132 /nfs/dbraw/zinc/64/41/32/554644132.db2.gz FOKPNSNZLXFBGO-VSKRKVRLSA-N 0 3 519.768 5.412 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101137842 554652069 /nfs/dbraw/zinc/65/20/69/554652069.db2.gz BFHZBYQUUPPMNC-OCBJUFRSSA-N 0 3 538.575 5.855 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000101184018 554668776 /nfs/dbraw/zinc/66/87/76/554668776.db2.gz NGGKXOFXRQGIRE-UUQNIDNHSA-N 0 3 546.648 6.003 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000101195705 554672287 /nfs/dbraw/zinc/67/22/87/554672287.db2.gz LNTPTLAVZQVZQM-UUQNIDNHSA-N 0 3 546.026 5.900 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000101206286 554676123 /nfs/dbraw/zinc/67/61/23/554676123.db2.gz WOOBXIQFTGUXPE-WFPUBZAHSA-N 0 3 541.607 5.336 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101210558 554679323 /nfs/dbraw/zinc/67/93/23/554679323.db2.gz GXIJCBIMSSQPFG-ANOKCIKSSA-N 0 3 537.040 6.258 50 0 KKAAHN Cc1cccc(CN(C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]2CCCO2)c1 ZINC000101255904 554697053 /nfs/dbraw/zinc/69/70/53/554697053.db2.gz PCYPAXKKKZBVFE-NAKRPHOHSA-N 0 3 562.579 6.037 50 0 KKAAHN COc1cc(CN2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260293 554697232 /nfs/dbraw/zinc/69/72/32/554697232.db2.gz RMZDPVZMBJRRKO-RPWUZVMVSA-N 0 3 544.589 6.092 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385859 554750492 /nfs/dbraw/zinc/75/04/92/554750492.db2.gz CRJUZKVLPMHWSH-URLMMPGGSA-N 0 3 608.768 5.097 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385849 554750537 /nfs/dbraw/zinc/75/05/37/554750537.db2.gz CRJUZKVLPMHWSH-FQLXRVMXSA-N 0 3 608.768 5.097 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386162 554751223 /nfs/dbraw/zinc/75/12/23/554751223.db2.gz GJSVJJZDFSNHED-HKFHRXRESA-N 0 3 605.827 7.058 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386235 554751382 /nfs/dbraw/zinc/75/13/82/554751382.db2.gz TYYREJHFKQVTIJ-UYHPJTEGSA-N 0 3 622.810 6.755 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386191 554751470 /nfs/dbraw/zinc/75/14/70/554751470.db2.gz PILWNZMOVUEQJX-BIMVPBQRSA-N 0 3 622.829 7.802 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386188 554751479 /nfs/dbraw/zinc/75/14/79/554751479.db2.gz PILWNZMOVUEQJX-LWQYYNMXSA-N 0 3 622.829 7.802 50 0 KKAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000101406829 554761975 /nfs/dbraw/zinc/76/19/75/554761975.db2.gz SYNRQYRZKMBATH-IBGZPJMESA-N 0 3 538.088 6.395 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000101454808 554776737 /nfs/dbraw/zinc/77/67/37/554776737.db2.gz XOYBGXGUFMKZED-KDXMTYKHSA-N 0 3 549.712 5.785 50 0 KKAAHN O=C(CCC(=O)OCCN(Cc1ccccc1)Cc1ccccc1)OCCN(Cc1ccccc1)Cc1ccccc1 ZINC000101557027 554797202 /nfs/dbraw/zinc/79/72/02/554797202.db2.gz FZBLUFQBINUYOO-UHFFFAOYSA-N 0 3 564.726 6.258 50 0 KKAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000101683828 554828860 /nfs/dbraw/zinc/82/88/60/554828860.db2.gz GQISDZSMBDPNGJ-UHFFFAOYSA-N 0 3 614.186 7.475 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cnn2-c2ccccc2Cl)CC1 ZINC000101739848 554833944 /nfs/dbraw/zinc/83/39/44/554833944.db2.gz ZHENANLWWCQRQK-UHFFFAOYSA-N 0 3 578.157 6.035 50 0 KKAAHN Cc1cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c(=O)[nH]c1C ZINC000101957616 554853305 /nfs/dbraw/zinc/85/33/05/554853305.db2.gz ZCPWPQGOGFMQLB-MUUNZHRXSA-N 0 3 538.692 5.636 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000101979648 554863629 /nfs/dbraw/zinc/86/36/29/554863629.db2.gz YUGIDUUOXHLBSO-KYJUHHDHSA-N 0 3 542.749 5.748 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000101979645 554863707 /nfs/dbraw/zinc/86/37/07/554863707.db2.gz YUGIDUUOXHLBSO-IHLOFXLRSA-N 0 3 542.749 5.748 50 0 KKAAHN CN(Cc1ccc(OC2CCN(C(=O)[C@@H](c3ccccc3)C3CCCC3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102088934 554877215 /nfs/dbraw/zinc/87/72/15/554877215.db2.gz QRONMDNVNOXLIB-DHUJRADRSA-N 0 3 547.743 7.211 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098991 554880762 /nfs/dbraw/zinc/88/07/62/554880762.db2.gz BZAJHVYCKFSBJP-XNMGPUDCSA-N 0 3 538.610 6.448 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cnn(-c4cccc(Cl)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000102130155 554884959 /nfs/dbraw/zinc/88/49/59/554884959.db2.gz NGIFSJODJPNWQK-UHFFFAOYSA-N 0 3 606.211 6.591 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102548903 554960520 /nfs/dbraw/zinc/96/05/20/554960520.db2.gz GHMKCJIKFYKHBK-YQQRZDPSSA-N 0 3 576.674 6.012 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102556935 554964930 /nfs/dbraw/zinc/96/49/30/554964930.db2.gz AJACMJRKDCTOFA-NXCFDTQHSA-N 0 3 551.437 5.688 50 0 KKAAHN CN(Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102568741 554970125 /nfs/dbraw/zinc/97/01/25/554970125.db2.gz VXADKYVFEIBSGQ-UHFFFAOYSA-N 0 3 551.712 6.252 50 0 KKAAHN Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCN(C)C4)c2)OCCN(C(=O)c2ccc(N4CCOCC4)cc2)C3)s1 ZINC000102582644 554972853 /nfs/dbraw/zinc/97/28/53/554972853.db2.gz JEQOHRDYGFOKHD-XMMPIXPASA-N 0 3 561.748 5.316 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc2C1 ZINC000102595626 554976575 /nfs/dbraw/zinc/97/65/75/554976575.db2.gz APQUVWJJIUQEPZ-BHDXBOSCSA-N 0 3 591.722 5.478 50 0 KKAAHN CN(Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102608816 554980472 /nfs/dbraw/zinc/98/04/72/554980472.db2.gz BFWCRRGFPQUDJJ-UHFFFAOYSA-N 0 3 559.685 7.357 50 0 KKAAHN CN(Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102644991 554992001 /nfs/dbraw/zinc/99/20/01/554992001.db2.gz MNBCDCOZVFKUEG-UHFFFAOYSA-N 0 3 598.691 5.271 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102742051 555030824 /nfs/dbraw/zinc/03/08/24/555030824.db2.gz FDUKXOPMQCRVOR-IDZRBWSNSA-N 0 3 522.601 6.078 50 0 KKAAHN COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c1 ZINC000102745060 555036633 /nfs/dbraw/zinc/03/66/33/555036633.db2.gz AENSTMZWOKUDJL-VABKMULXSA-N 0 3 605.272 5.033 50 0 KKAAHN COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000102745016 555036666 /nfs/dbraw/zinc/03/66/66/555036666.db2.gz ILVCQAXIJWUZNV-FSSWDIPSSA-N 0 3 575.246 5.024 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102748536 555042847 /nfs/dbraw/zinc/04/28/47/555042847.db2.gz SSMXUCCOZRWLOK-IDZRBWSNSA-N 0 3 522.601 6.078 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000102748582 555042863 /nfs/dbraw/zinc/04/28/63/555042863.db2.gz HSNUEXJHUQMLEJ-HWIUFGAZSA-N 0 3 577.725 6.900 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000102759296 555051167 /nfs/dbraw/zinc/05/11/67/555051167.db2.gz YLUNISOTQNJPEO-KMDXXIMOSA-N 0 3 525.374 5.428 50 0 KKAAHN CC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102761053 555052465 /nfs/dbraw/zinc/05/24/65/555052465.db2.gz DTRNDXUFWWURGR-FRXPANAUSA-N 0 3 518.569 5.519 50 0 KKAAHN CN(CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102766761 555055489 /nfs/dbraw/zinc/05/54/89/555055489.db2.gz PYPPFUABFOSYNF-ITYLOYPMSA-N 0 3 539.623 5.824 50 0 KKAAHN CN(C)[C@H](CN(C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000102773708 555062196 /nfs/dbraw/zinc/06/21/96/555062196.db2.gz SPNBKVUSSNSXEI-CSUOAPIFSA-N 0 3 562.751 5.095 50 0 KKAAHN Cc1cccc(CN2c3cc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787852 555068303 /nfs/dbraw/zinc/06/83/03/555068303.db2.gz JZFVCXNPJVZZLM-LAKKEJQSSA-N 0 3 616.831 6.613 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000102860568 555090646 /nfs/dbraw/zinc/09/06/46/555090646.db2.gz JTYPFJWUCDYBCH-FDFHNCONSA-N 0 3 579.889 6.553 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000102861284 555091587 /nfs/dbraw/zinc/09/15/87/555091587.db2.gz BOQFXVGHBOHFIB-KMDXXIMOSA-N 0 3 537.037 5.426 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102866798 555095989 /nfs/dbraw/zinc/09/59/89/555095989.db2.gz IZYUSRPEZVHJJA-MPFGFTFXSA-N 0 3 555.417 7.458 50 0 KKAAHN O=C(c1ccc(Cl)cc1Cl)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000102870026 555099849 /nfs/dbraw/zinc/09/98/49/555099849.db2.gz LTTLZXONYUPTKE-MFUXGYHDSA-N 0 3 571.485 6.911 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102875611 555105451 /nfs/dbraw/zinc/10/54/51/555105451.db2.gz JSTBIZGEHTYPEI-KWXIBIRDSA-N 0 3 595.460 5.812 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102888282 555121123 /nfs/dbraw/zinc/12/11/23/555121123.db2.gz NUCJNZUNKZCLDI-JBOQNHBVSA-N 0 3 555.030 6.369 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102888989 555122728 /nfs/dbraw/zinc/12/27/28/555122728.db2.gz AAAJFWWGPFFRCY-NHKHRBQYSA-N 0 3 603.444 6.227 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102889231 555123189 /nfs/dbraw/zinc/12/31/89/555123189.db2.gz UKRDWDBPEWEPTA-KWXIBIRDSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893965 555131984 /nfs/dbraw/zinc/13/19/84/555131984.db2.gz DCSMQSUQPJLMAR-FCEKVYKBSA-N 0 3 607.421 6.411 50 0 KKAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000102912312 555143253 /nfs/dbraw/zinc/14/32/53/555143253.db2.gz WFPOBVUWSZPAPJ-BHIFYINESA-N 0 3 502.876 5.419 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102973981 555183848 /nfs/dbraw/zinc/18/38/48/555183848.db2.gz GUJNKBADFJYEPG-ISJGIBHGSA-N 0 3 584.253 7.067 50 0 KKAAHN Cc1nc(SCc2cccc(C(=O)NCCN(C)C)c2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000103022113 555213307 /nfs/dbraw/zinc/21/33/07/555213307.db2.gz XBPBNNCDDOWLAW-UHFFFAOYSA-N 0 3 572.701 5.023 50 0 KKAAHN O=C1C2ON(c3cccc(Br)c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000103025155 555215453 /nfs/dbraw/zinc/21/54/53/555215453.db2.gz DWQJRWLAKZVBOH-PWRODBHTSA-N 0 3 551.746 6.172 50 0 KKAAHN Cc1ccc(-n2nc(-c3cccs3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccc(Cl)c2)cc1 ZINC000103059738 555240074 /nfs/dbraw/zinc/24/00/74/555240074.db2.gz QTODDOOFHJJVDZ-MUUNZHRXSA-N 0 3 580.179 5.410 50 0 KKAAHN Cc1ccc(CO[C@H]2C[C@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000103124927 555293008 /nfs/dbraw/zinc/29/30/08/555293008.db2.gz UOYWHCFPOXRJSX-SMXDRTIVSA-N 0 3 590.683 5.381 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCCCC)cc2)CN(C)C)cc1 ZINC000103131871 555301301 /nfs/dbraw/zinc/30/13/01/555301301.db2.gz CETPKDROUAYFOD-RNPORBBMSA-N 0 3 552.800 7.026 50 0 KKAAHN Cc1cc(C(=O)Nc2ccc3[nH]cc(CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3c2)nn1C(C)(C)C ZINC000103157403 555319893 /nfs/dbraw/zinc/31/98/93/555319893.db2.gz WEYPPLNHVWGPTD-UHFFFAOYSA-N 0 3 552.645 6.064 50 0 KKAAHN COc1cc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)ccc1OCc1ccccc1 ZINC000103393071 555377164 /nfs/dbraw/zinc/37/71/64/555377164.db2.gz MLYNICWTRHARCQ-XIFFEERXSA-N 0 3 587.764 7.011 50 0 KKAAHN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)c3cccc(Oc4ccc(Cl)cc4)c3)c3ccccc32)cc1 ZINC000103427971 555410030 /nfs/dbraw/zinc/41/00/30/555410030.db2.gz YWUNTFDLIOHSAP-UMSFTDKQSA-N 0 3 592.183 8.178 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)c(C(F)(F)F)c1)NCCN1CCCC1 ZINC000103429975 555412573 /nfs/dbraw/zinc/41/25/73/555412573.db2.gz XGGBDBCINDOCAU-RUZDIDTESA-N 0 3 554.056 7.096 50 0 KKAAHN CC(C)N(C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435236 555417757 /nfs/dbraw/zinc/41/77/57/555417757.db2.gz FIKKHZGZLLGDJB-WNCULLNHSA-N 0 3 533.009 7.264 50 0 KKAAHN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104920871 571387982 /nfs/dbraw/zinc/38/79/82/571387982.db2.gz XCNDMYKLQOKWQU-AZGAKELHSA-N 0 3 513.629 5.031 50 0 KKAAHN COc1cc(CN2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000105042234 571390246 /nfs/dbraw/zinc/39/02/46/571390246.db2.gz PNIKLBBJXAAJED-GIGWZHCTSA-N 0 3 558.616 6.628 50 0 KKAAHN Cc1cc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042556 571390352 /nfs/dbraw/zinc/39/03/52/571390352.db2.gz HTDMDWOPRKQETE-UFHPHHKVSA-N 0 3 530.606 7.068 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@H]3C2=O)cc1 ZINC000106018539 571410436 /nfs/dbraw/zinc/41/04/36/571410436.db2.gz BTHXBGCMBIWQBY-OZNIXHKMSA-N 0 3 563.437 7.093 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106017283 571410527 /nfs/dbraw/zinc/41/05/27/571410527.db2.gz TWMUDXNVQVFUQP-MPFGFTFXSA-N 0 3 552.558 5.413 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000106019259 571410720 /nfs/dbraw/zinc/41/07/20/571410720.db2.gz UJKPEIUPKIPDQJ-MJSOWUPRSA-N 0 3 562.622 6.136 50 0 KKAAHN O=C1c2ccccc2[C@H]([C@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000110565222 571431683 /nfs/dbraw/zinc/43/16/83/571431683.db2.gz DQPCOOIKAATCSW-OENWMMNHSA-N 0 3 562.025 6.297 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000135653284 571448743 /nfs/dbraw/zinc/44/87/43/571448743.db2.gz LYACREYTWOSDBD-YTFSRNRJSA-N 0 3 525.026 5.555 50 0 KKAAHN CCCOc1ccc(CN2CCC([C@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3C(F)(F)F)CC2)cc1 ZINC000136515630 571449390 /nfs/dbraw/zinc/44/93/90/571449390.db2.gz DTPFKRVUFLRRBC-GDLZYMKVSA-N 0 3 597.596 7.550 50 0 KKAAHN CCCOc1ccc(CN2CCC([C@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3OC)CC2)cc1 ZINC000136992223 571449986 /nfs/dbraw/zinc/44/99/86/571449986.db2.gz ZNEZLTCCHRVKIG-SSEXGKCCSA-N 0 3 559.625 6.539 50 0 KKAAHN CC(C)N(C)C(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000136993135 571449988 /nfs/dbraw/zinc/44/99/88/571449988.db2.gz FSKPUZIQBAYDJW-UHFFFAOYSA-N 0 3 607.639 7.744 50 0 KKAAHN Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150343540 571459049 /nfs/dbraw/zinc/45/90/49/571459049.db2.gz RKCAXHKKTMSOHY-LICLKQGHSA-N 0 3 642.114 9.299 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000150346644 571460543 /nfs/dbraw/zinc/46/05/43/571460543.db2.gz ZMYVMODGCFGRFU-CYEXUTLASA-N 0 3 672.836 8.682 50 0 KKAAHN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150388838 571471201 /nfs/dbraw/zinc/47/12/01/571471201.db2.gz YDDBJZKGWFNUIT-UHFFFAOYSA-N 0 3 716.237 10.858 50 0 KKAAHN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150388827 571471227 /nfs/dbraw/zinc/47/12/27/571471227.db2.gz JZWAMYGKLJMVOU-UHFFFAOYSA-N 0 3 702.210 10.550 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150388987 571471345 /nfs/dbraw/zinc/47/13/45/571471345.db2.gz JTRJBXGZHAOXNZ-UHFFFAOYSA-N 0 3 650.521 9.553 50 0 KKAAHN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4Cl)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150389184 571471557 /nfs/dbraw/zinc/47/15/57/571471557.db2.gz AEZIKUBAFYEVNQ-FOWTUZBSSA-N 0 3 656.141 9.607 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4Cl)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389173 571471566 /nfs/dbraw/zinc/47/15/66/571471566.db2.gz IWLPMEFGFFWBHX-XMHGGMMESA-N 0 3 670.168 9.943 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000150442476 571498918 /nfs/dbraw/zinc/49/89/18/571498918.db2.gz WRTRQZSWPGRWIC-FKBYEOEOSA-N 0 3 654.142 5.787 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150460725 571506189 /nfs/dbraw/zinc/50/61/89/571506189.db2.gz WAFWNJKJZKCBQE-NHKHRBQYSA-N 0 3 654.344 7.395 50 0 KKAAHN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)[C@@H](C)N(c4ccccc4)C3=O)c2)c(C(C)(C)CC)c1 ZINC000150483866 571514575 /nfs/dbraw/zinc/51/45/75/571514575.db2.gz GXNLGABIANNWMM-YHZWMNSLSA-N 0 3 759.388 9.293 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000150639349 571524647 /nfs/dbraw/zinc/52/46/47/571524647.db2.gz HKBHXZSLPKDQER-NMYFZKPBSA-N 0 3 688.879 8.203 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150644173 571524830 /nfs/dbraw/zinc/52/48/30/571524830.db2.gz LLOMTMXQLYGCNY-DYKQPOOOSA-N 0 3 715.861 7.593 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150644327 571525035 /nfs/dbraw/zinc/52/50/35/571525035.db2.gz QBRYVBBYJJPODK-MPFGFTFXSA-N 0 3 664.350 6.850 50 0 KKAAHN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169682000 571557699 /nfs/dbraw/zinc/55/76/99/571557699.db2.gz JPOOTSDVFNVPJE-PZGXJGMVSA-N 0 3 501.696 5.021 50 0 KKAAHN COc1ccccc1CNC(=O)CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000299761431 572135116 /nfs/dbraw/zinc/13/51/16/572135116.db2.gz WNHJFSMZSJSLIV-MFMCTBQISA-N 0 3 591.196 5.467 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000299778044 572136596 /nfs/dbraw/zinc/13/65/96/572136596.db2.gz FJWRKMGHZGKTJA-BHBYDHKZSA-N 0 3 579.160 5.597 50 0 KKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CCN(C)C)C(=O)c2cc(C)c(C)[nH]c2=O)cc1 ZINC000299798540 572137893 /nfs/dbraw/zinc/13/78/93/572137893.db2.gz SVPWUCYIUFZJJJ-UHFFFAOYSA-N 0 3 530.694 5.554 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000226831537 572142724 /nfs/dbraw/zinc/14/27/24/572142724.db2.gz DYRVIGRDKPJWKJ-HZFUHODCSA-N 0 3 545.422 6.624 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000226831921 572142770 /nfs/dbraw/zinc/14/27/70/572142770.db2.gz LCFKPPVJFFJQLC-CCDWMCETSA-N 0 3 539.802 6.958 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226931818 572145974 /nfs/dbraw/zinc/14/59/74/572145974.db2.gz FGYBWTFVCYLGRF-OYUWMTPXSA-N 0 3 524.960 5.610 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000227016493 572146954 /nfs/dbraw/zinc/14/69/54/572146954.db2.gz INWYHPSPQCSFKE-CCDWMCETSA-N 0 3 584.253 7.067 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227018689 572147644 /nfs/dbraw/zinc/14/76/44/572147644.db2.gz UISUCNIPNWDEOI-LBFZIJHGSA-N 0 3 570.645 6.869 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000227070201 572149039 /nfs/dbraw/zinc/14/90/39/572149039.db2.gz JUWJHVJHPZTPOU-HZFUHODCSA-N 0 3 563.437 7.093 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227238549 572152393 /nfs/dbraw/zinc/15/23/93/572152393.db2.gz TXPDZRGFCPSHFU-VGBJTSDXSA-N 0 3 562.647 5.621 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000229882721 572165267 /nfs/dbraw/zinc/16/52/67/572165267.db2.gz IEVKQGODKUBHKW-DZJMTTFWSA-N 0 3 664.780 6.956 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000229892849 572166217 /nfs/dbraw/zinc/16/62/17/572166217.db2.gz BWEQFPMJXCVAOS-UCDUTVGFSA-N 0 3 559.493 6.972 50 0 KKAAHN CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 ZINC000229897133 572166645 /nfs/dbraw/zinc/16/66/45/572166645.db2.gz ABUTVTDZNVYOHY-FRXPANAUSA-N 0 3 564.594 5.364 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)c(OC)c3)[C@@H]2C1=O ZINC000229897133 572166647 /nfs/dbraw/zinc/16/66/47/572166647.db2.gz ABUTVTDZNVYOHY-FRXPANAUSA-N 0 3 564.594 5.364 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000229933476 572171216 /nfs/dbraw/zinc/17/12/16/572171216.db2.gz ULDGKVJMNWIMNF-OJDZSJEKSA-N 0 3 576.630 5.659 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000229941009 572172511 /nfs/dbraw/zinc/17/25/11/572172511.db2.gz BOSBRCJAAOCVFI-ISJGIBHGSA-N 0 3 584.253 7.067 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cc(Br)ccc4OC)[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000229949569 572173123 /nfs/dbraw/zinc/17/31/23/572173123.db2.gz SKWSTHUBXPHTHA-BJCACVBCSA-N 0 3 653.595 6.508 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000229983490 572176638 /nfs/dbraw/zinc/17/66/38/572176638.db2.gz LNTPTLAVZQVZQM-AGKKXDHOSA-N 0 3 546.026 5.900 50 0 KKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000230019932 572178977 /nfs/dbraw/zinc/17/89/77/572178977.db2.gz YBRGIXYXKSSPOO-UPRLRBBYSA-N 0 3 504.542 5.265 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000230028853 572180157 /nfs/dbraw/zinc/18/01/57/572180157.db2.gz OCRCVPBFALTMSO-ZGIBFIJWSA-N 0 3 534.568 5.356 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000230040275 572181022 /nfs/dbraw/zinc/18/10/22/572181022.db2.gz ABSHEGAFHJLYPM-RBZQAINGSA-N 0 3 507.384 5.071 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189201 572185023 /nfs/dbraw/zinc/18/50/23/572185023.db2.gz JIKZPGGKQQGBMI-UODPJZIASA-N 0 3 546.026 5.981 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000238881732 572188521 /nfs/dbraw/zinc/18/85/21/572188521.db2.gz BEHKNDPLVAUERG-WXFUMESZSA-N 0 3 571.482 6.162 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000238881945 572188473 /nfs/dbraw/zinc/18/84/73/572188473.db2.gz BOQFXVGHBOHFIB-WXFUMESZSA-N 0 3 537.037 5.426 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000238950387 572189517 /nfs/dbraw/zinc/18/95/17/572189517.db2.gz XTRNVABMZXBDQI-DNVJHFABSA-N 0 3 557.455 5.771 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000238950207 572189683 /nfs/dbraw/zinc/18/96/83/572189683.db2.gz XCFNHJLMJLEOPY-WXFUMESZSA-N 0 3 504.608 5.210 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000239038892 572190497 /nfs/dbraw/zinc/19/04/97/572190497.db2.gz FDCZYOXXXBUMBF-NJDAHSKKSA-N 0 3 531.417 5.509 50 0 KKAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000245108465 572200918 /nfs/dbraw/zinc/20/09/18/572200918.db2.gz SYHLRCGHVPPVBA-MUUNZHRXSA-N 0 3 600.682 5.309 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O ZINC000245246436 572219428 /nfs/dbraw/zinc/21/94/28/572219428.db2.gz LRQBUERZYYWJBX-OZNIXHKMSA-N 0 3 575.042 5.467 50 0 KKAAHN COc1cc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000245279513 572223966 /nfs/dbraw/zinc/22/39/66/572223966.db2.gz GQFCRXRYAJLBCZ-KCWPFWIISA-N 0 3 512.572 5.992 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245309743 572227433 /nfs/dbraw/zinc/22/74/33/572227433.db2.gz FXNTZKVFCSKVPN-GZNUUUAQSA-N 0 3 508.593 5.804 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310114 572228205 /nfs/dbraw/zinc/22/82/05/572228205.db2.gz HWNDGFQPGNFMEN-WPQKMFINSA-N 0 3 531.637 5.698 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1cccs1)[C@@]21C(=O)Nc2ccccc21 ZINC000245311127 572228812 /nfs/dbraw/zinc/22/88/12/572228812.db2.gz MQOXZOSTXPFLGX-TUAOVVRQSA-N 0 3 522.651 6.056 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000245311128 572228839 /nfs/dbraw/zinc/22/88/39/572228839.db2.gz MQOXZOSTXPFLGX-VWDBNSKXSA-N 0 3 522.651 6.056 50 0 KKAAHN COc1ccc([C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245330413 572236418 /nfs/dbraw/zinc/23/64/18/572236418.db2.gz YIPQTEYEQKRBKX-IGKIAQTJSA-N 0 3 514.563 6.117 50 0 KKAAHN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343048 572237288 /nfs/dbraw/zinc/23/72/88/572237288.db2.gz CXPDIMBNZQKTGR-UZTOHYMASA-N 0 3 542.532 5.766 50 0 KKAAHN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4C[C@@H](C)N(Cc5ccccc5)[C@H](C)C4)C3)nc3ccccc32)cc1 ZINC000247878546 572248126 /nfs/dbraw/zinc/24/81/26/572248126.db2.gz IESVWSXTVWCJGT-ZKKGZRQESA-N 0 3 565.762 5.427 50 0 KKAAHN CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248089900 572253386 /nfs/dbraw/zinc/25/33/86/572253386.db2.gz MIOIMFUAKFSCJR-FUFSCUOVSA-N 0 3 509.760 5.671 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2c2ccccc2)cc1 ZINC000248121610 572254251 /nfs/dbraw/zinc/25/42/51/572254251.db2.gz SAVYTGWDLKJHKL-PXJZQJOASA-N 0 3 508.628 7.028 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248242488 572256867 /nfs/dbraw/zinc/25/68/67/572256867.db2.gz FNDYDIKFWGWYQF-CPWWYQHDSA-N 0 3 536.628 5.292 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249246 572257169 /nfs/dbraw/zinc/25/71/69/572257169.db2.gz ROTDXEFQIGLLJT-NVQXNPDNSA-N 0 3 501.568 6.187 50 0 KKAAHN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@H]3CCC[C@H]3N3CCN(C)CC3)cc2)CC1 ZINC000252512221 572262152 /nfs/dbraw/zinc/26/21/52/572262152.db2.gz ODKQFULXUUADEW-MUACBXGZSA-N 0 3 510.122 5.686 50 0 KKAAHN Clc1ccc(CCNCc2nn(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)c(Cl)c1 ZINC000253491963 572291559 /nfs/dbraw/zinc/29/15/59/572291559.db2.gz OJWJDIJXBGFFND-UHFFFAOYSA-N 0 3 506.264 6.939 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101964918 1069838049 /nfs/dbraw/zinc/83/80/49/1069838049.db2.gz TUORCACQSBWQAY-HHHXNRCGSA-N 0 3 561.648 6.746 50 0 KKAAHN COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)cc1 ZINC000011881537 1071233140 /nfs/dbraw/zinc/23/31/40/1071233140.db2.gz JPWBERJMXKUKJK-LJAQVGFWSA-N 0 3 523.677 6.339 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NC3CCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014753660 1072891998 /nfs/dbraw/zinc/89/19/98/1072891998.db2.gz LWCTUTJHZXOAGL-LEWJYISDSA-N 0 3 520.592 5.299 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2ccccc2F)c1)Cc1cccc2cccnc21 ZINC000014879132 1072892106 /nfs/dbraw/zinc/89/21/06/1072892106.db2.gz JPBPHAFFSRHXKI-MHZLTWQESA-N 0 3 511.641 6.470 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccccc2F)c1)Cc1cccc2cccnc21 ZINC000014879133 1072892443 /nfs/dbraw/zinc/89/24/43/1072892443.db2.gz JPBPHAFFSRHXKI-HHHXNRCGSA-N 0 3 511.641 6.470 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102759852 193919379 /nfs/dbraw/zinc/91/93/79/193919379.db2.gz HEMZGEPJUBCQCC-PWRODBHTSA-N 0 3 501.739 5.293 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000000655424 551513959 /nfs/dbraw/zinc/51/39/59/551513959.db2.gz BOJAXOHWYZMMKZ-UHFFFAOYSA-N 0 3 519.980 5.524 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001314933 551640349 /nfs/dbraw/zinc/64/03/49/551640349.db2.gz DMRFTMFYUPUYNI-FCEKVYKBSA-N 0 3 554.986 5.619 50 0 KKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1 ZINC000001322172 551641748 /nfs/dbraw/zinc/64/17/48/551641748.db2.gz DTLUTYPHOACBQO-LJAQVGFWSA-N 0 3 505.058 7.084 50 0 biogenic KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000001874280 551721167 /nfs/dbraw/zinc/72/11/67/551721167.db2.gz FPZGGSJOLALZIE-CCDWMCETSA-N 0 3 574.247 7.611 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002238897 551798703 /nfs/dbraw/zinc/79/87/03/551798703.db2.gz HEIXCPSUDITZCJ-NJDAHSKKSA-N 0 3 517.301 5.519 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000002367887 552104392 /nfs/dbraw/zinc/10/43/92/552104392.db2.gz LNFJRUBUMDHGKF-QHAWAJNXSA-N 0 3 528.200 5.263 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000002418088 552115108 /nfs/dbraw/zinc/11/51/08/552115108.db2.gz DLEMHSYCAFTVFC-NJDAHSKKSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000002423502 552116253 /nfs/dbraw/zinc/11/62/53/552116253.db2.gz JNBDVLHASKLWEB-NJDAHSKKSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002451518 552123739 /nfs/dbraw/zinc/12/37/39/552123739.db2.gz YTBXJCRIBIBBEH-QHAWAJNXSA-N 0 3 535.291 5.658 50 0 KKAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000002959945 552233455 /nfs/dbraw/zinc/23/34/55/552233455.db2.gz FZAKQMOUQLKEDH-RJGXRXQPSA-N 0 3 573.274 5.578 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968264 552239818 /nfs/dbraw/zinc/23/98/18/552239818.db2.gz HVSPWGNSWPQGPT-ZEQRLZLVSA-N 0 3 560.079 5.156 50 0 KKAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccc(F)cc1 ZINC000002968337 552240222 /nfs/dbraw/zinc/24/02/22/552240222.db2.gz YVJSZMRJCHKJEW-JOCHJYFZSA-N 0 3 506.990 5.078 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968383 552240368 /nfs/dbraw/zinc/24/03/68/552240368.db2.gz VGYQUYXYPKSDEC-RPWUZVMVSA-N 0 3 578.069 5.295 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003034066 552268598 /nfs/dbraw/zinc/26/85/98/552268598.db2.gz MUFHLXCUSBFWBV-UHFFFAOYSA-N 0 3 517.145 6.266 50 0 KKAAHN CN(C)[C@H](CNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000003339982 552362432 /nfs/dbraw/zinc/36/24/32/552362432.db2.gz MIZAFJAPVDZMMH-XMMPIXPASA-N 0 3 512.601 5.615 50 0 KKAAHN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CNCCSc2ccc(Br)cc2)cc1 ZINC000003355902 552369052 /nfs/dbraw/zinc/36/90/52/552369052.db2.gz DNQSXGRFIYQFFM-QHCPKHFHSA-N 0 3 500.502 5.897 50 0 KKAAHN Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCN4CCCCCC4)cc3)C2=O)cc1 ZINC000003586501 552391805 /nfs/dbraw/zinc/39/18/05/552391805.db2.gz WNWIVZNFJDFXLJ-JBASAIQMSA-N 0 3 509.650 5.568 50 0 KKAAHN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1 ZINC000003646177 552401693 /nfs/dbraw/zinc/40/16/93/552401693.db2.gz RLDNPRSBCNGDIB-CXUHLZMHSA-N 0 3 539.632 6.544 50 0 KKAAHN C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004014961 552426438 /nfs/dbraw/zinc/42/64/38/552426438.db2.gz YCBHZQRQYLKSRS-LJAQVGFWSA-N 0 3 623.753 7.512 50 0 KKAAHN O=C(Cc1c[nH]c2ccccc12)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000004016184 552427257 /nfs/dbraw/zinc/42/72/57/552427257.db2.gz NUDZUEFSTKNRGQ-UHFFFAOYSA-N 0 3 575.712 7.922 50 0 KKAAHN CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc(OCC)c1OCC ZINC000004122284 552440188 /nfs/dbraw/zinc/44/01/88/552440188.db2.gz YUVQCHGMEDMIBE-UHFFFAOYSA-N 0 3 562.736 5.332 50 0 KKAAHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000004217252 552450011 /nfs/dbraw/zinc/45/00/11/552450011.db2.gz MDLAAYDRRZXJIF-UHFFFAOYSA-N 0 3 523.973 7.533 50 0 world KKAAHN c1ccc(C(NCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000004552062 552466415 /nfs/dbraw/zinc/46/64/15/552466415.db2.gz WWJJAIMYZZLYOF-UHFFFAOYSA-N 0 3 558.769 8.540 50 0 KKAAHN CC(C)CN(Cc1c(OC(=O)/C=C/c2ccccc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000006166887 552557482 /nfs/dbraw/zinc/55/74/82/552557482.db2.gz PYDPJJRXZSMNRH-LICLKQGHSA-N 0 3 628.087 8.990 50 0 KKAAHN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccccc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000006166886 552557580 /nfs/dbraw/zinc/55/75/80/552557580.db2.gz MHVONMYTRXNVTE-DTQAZKPQSA-N 0 3 635.723 9.262 50 0 KKAAHN CCCCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCCCCC)cc2)CN(C)C)cc1 ZINC000006472227 552592041 /nfs/dbraw/zinc/59/20/41/552592041.db2.gz DCCVKJJGCWASFE-ACHIHNKUSA-N 0 3 580.854 7.806 50 0 KKAAHN CCOC(=O)c1cc(NCCN(C)C[C@H]2c3ccccc3C=Cc3ccc(Cl)cc32)c2c(Cl)cc(Cl)cc2n1 ZINC000008385953 552991540 /nfs/dbraw/zinc/99/15/40/552991540.db2.gz QHQIPBAICBCAPN-VWLOTQADSA-N 0 3 580.943 8.031 50 0 KKAAHN Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@H]2C(Oc3ccccc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000008439665 553036002 /nfs/dbraw/zinc/03/60/02/553036002.db2.gz FLUZTMKAFAKIJL-VMPREFPWSA-N 0 3 512.631 5.628 50 0 KKAAHN COc1ccc(CCN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448315 553055784 /nfs/dbraw/zinc/05/57/84/553055784.db2.gz ZWVGOIOVQVYBPM-UHFFFAOYSA-N 0 3 569.542 6.683 50 0 KKAAHN Cc1cccc(Oc2ccc(CN3CCC(C(O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)CC3)cc2)n1 ZINC000008448276 553055816 /nfs/dbraw/zinc/05/58/16/553055816.db2.gz AAACFFZSGFPDDC-UHFFFAOYSA-N 0 3 600.603 8.368 50 0 KKAAHN Cc1ccc(C)c(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2=O)c1 ZINC000008593363 553085560 /nfs/dbraw/zinc/08/55/60/553085560.db2.gz JHDZWRPBNBYOPB-UHFFFAOYSA-N 0 3 586.736 5.271 50 0 KKAAHN COc1ccccc1CN1CCC(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596692 553090992 /nfs/dbraw/zinc/09/09/92/553090992.db2.gz WZZNCJCYVMHQNE-UHFFFAOYSA-N 0 3 622.210 6.291 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000008696045 553125574 /nfs/dbraw/zinc/12/55/74/553125574.db2.gz GJRJSGAKIAPDFN-XQJOSWFISA-N 0 3 623.798 6.150 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000008749483 553134943 /nfs/dbraw/zinc/13/49/43/553134943.db2.gz ABUUUEDBHBZQHV-CYTLCNBWSA-N 0 3 594.800 7.256 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009235456 553225202 /nfs/dbraw/zinc/22/52/02/553225202.db2.gz OMIHDSULDICLNE-NRFANRHFSA-N 0 3 509.275 6.500 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009235683 553225418 /nfs/dbraw/zinc/22/54/18/553225418.db2.gz RUPCLJMTESUGJN-DSNGMDLFSA-N 0 3 517.354 5.793 50 0 KKAAHN CC[C@H](C)N(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433328 553263117 /nfs/dbraw/zinc/26/31/17/553263117.db2.gz FJAIBEYEPBUOIH-XDAJTCOGSA-N 0 3 521.727 6.085 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433570 553263342 /nfs/dbraw/zinc/26/33/42/553263342.db2.gz DREGXDDIMRKLTI-WDYNHAJCSA-N 0 3 513.707 5.752 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC(F)F)=NN12 ZINC000009496761 553274609 /nfs/dbraw/zinc/27/46/09/553274609.db2.gz ITEPLFRUJBXLTA-HXUWFJFHSA-N 0 3 506.391 5.796 50 0 KKAAHN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000009609599 553287854 /nfs/dbraw/zinc/28/78/54/553287854.db2.gz OKUYXHMMFOKJOF-UHFFFAOYSA-N 0 3 530.116 5.670 50 0 KKAAHN CCCCc1ccc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1 ZINC000009777093 553306446 /nfs/dbraw/zinc/30/64/46/553306446.db2.gz WTTACZHMVLDMBQ-UHFFFAOYSA-N 0 3 509.650 7.469 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)cc1 ZINC000009857857 553313802 /nfs/dbraw/zinc/31/38/02/553313802.db2.gz KJKYZOJOYBHPNK-IHLOFXLRSA-N 0 3 529.750 6.022 50 0 KKAAHN COc1ccc(-c2nc3cc(SC)ccc3cc2CN(CCN(C)C)C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000011913348 553349152 /nfs/dbraw/zinc/34/91/52/553349152.db2.gz OGJLXTLQMKTSMM-UHFFFAOYSA-N 0 3 529.662 5.565 50 0 KKAAHN COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)Cc3csc(C)n3)cc12 ZINC000011913447 553349154 /nfs/dbraw/zinc/34/91/54/553349154.db2.gz IGCWRACCOPICPE-UHFFFAOYSA-N 0 3 518.683 5.125 50 0 KKAAHN COc1cccc(C(=O)N(CCN(C)C)Cc2cc3ccc(F)cc3nc2-c2ccccc2C)c1OC ZINC000012151901 553352523 /nfs/dbraw/zinc/35/25/23/553352523.db2.gz NNFBLLBGRXZRLN-UHFFFAOYSA-N 0 3 501.602 5.571 50 0 KKAAHN CC(C)(C)c1cc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc(C(C)(C)C)c1O ZINC000012630929 553405550 /nfs/dbraw/zinc/40/55/50/553405550.db2.gz CZMQEVQPLSXXAX-UHFFFAOYSA-N 0 3 505.747 5.544 50 0 KKAAHN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012872050 553424195 /nfs/dbraw/zinc/42/41/95/553424195.db2.gz CYIQITBIFVVIGC-WDFOCSDYSA-N 0 3 525.730 5.794 50 0 biogenic KKAAHN Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000013016779 553433047 /nfs/dbraw/zinc/43/30/47/553433047.db2.gz NUESKOJQGWDPKR-UHFFFAOYSA-N 0 3 517.583 6.960 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000013597573 553477221 /nfs/dbraw/zinc/47/72/21/553477221.db2.gz ZZMDIORJTDCAGF-NRFANRHFSA-N 0 3 509.275 6.500 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013778714 553490182 /nfs/dbraw/zinc/49/01/82/553490182.db2.gz ODGNBOYPZLPWND-UBFVSLLYSA-N 0 3 505.357 6.305 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013787728 553490743 /nfs/dbraw/zinc/49/07/43/553490743.db2.gz CPSGHXNMBSAQQG-QHAWAJNXSA-N 0 3 501.739 5.293 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013787339 553490875 /nfs/dbraw/zinc/49/08/75/553490875.db2.gz YUSDUUYSSWYYRK-DSNGMDLFSA-N 0 3 504.464 5.790 50 0 KKAAHN Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)NCCN2CCCC2)cc1 ZINC000013842927 553493317 /nfs/dbraw/zinc/49/33/17/553493317.db2.gz NKXOBFDWFRUORD-HKBQPEDESA-N 0 3 506.650 5.291 50 0 KKAAHN COc1cccc(CN2C(=O)N(CCC(C)C)C3(CCN(Cc4cn(C)c5ccccc45)CC3)C2=O)c1 ZINC000014749364 553520295 /nfs/dbraw/zinc/52/02/95/553520295.db2.gz QTGITLFDUURMID-UHFFFAOYSA-N 0 3 502.659 5.032 50 0 KKAAHN COc1ccccc1C(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@@H]2CCCN(C)C2)C1 ZINC000014988145 553523808 /nfs/dbraw/zinc/52/38/08/553523808.db2.gz NIDMXKANZRWMFV-OAQYLSRUSA-N 0 3 506.668 5.488 50 0 KKAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319720 553531810 /nfs/dbraw/zinc/53/18/10/553531810.db2.gz SMXGJCRSRYGRBF-NWJSTBPLSA-N 0 3 531.598 5.409 50 0 KKAAHN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)C(=O)N1 ZINC000015951911 553545638 /nfs/dbraw/zinc/54/56/38/553545638.db2.gz AYUHAHUQNVUQFW-DLFZDVPBSA-N 0 3 510.638 5.159 50 0 KKAAHN O=C(NCCN1CCCCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179294 553603118 /nfs/dbraw/zinc/60/31/18/553603118.db2.gz RYDAKUSTUOSDME-ANYBSYGZSA-N 0 3 513.613 5.398 50 0 KKAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCN(Cc2ccccc2)C(C)C)CC1 ZINC000020240752 553626708 /nfs/dbraw/zinc/62/67/08/553626708.db2.gz UPUFCVFUIYEDMC-UHFFFAOYSA-N 0 3 509.094 5.542 50 0 KKAAHN c1ccc([C@H]2CC[C@H](c3ccccc3)P2CCP2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)cc1 ZINC000071769508 553636452 /nfs/dbraw/zinc/63/64/52/553636452.db2.gz VHHAZLMVLLIMHT-YFRBGRBWSA-N 0 3 506.610 10.503 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000020355160 553640770 /nfs/dbraw/zinc/64/07/70/553640770.db2.gz WZUPHEDXXYWDIW-LJAKKAIASA-N 0 3 525.718 6.198 50 0 KKAAHN COc1ccc(C(=O)[C@H](C[C@@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000020036352 553667770 /nfs/dbraw/zinc/66/77/70/553667770.db2.gz UIAMBVTUVXCGFO-MKPDMIMOSA-N 0 3 506.687 5.364 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)cc2)CC1 ZINC000020508484 553668011 /nfs/dbraw/zinc/66/80/11/553668011.db2.gz XOMYJDZULCAASN-VMPREFPWSA-N 0 3 530.738 5.461 50 0 KKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020612100 553679652 /nfs/dbraw/zinc/67/96/52/553679652.db2.gz UPYWLQWRUNUSPT-QDJWJZQCSA-N 0 3 517.113 6.281 50 0 biogenic KKAAHN CCCOc1ccc(C(=O)[C@H](CCCC[C@H](CN2CCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCC2)cc1 ZINC000095740195 553711612 /nfs/dbraw/zinc/71/16/12/553711612.db2.gz YQMUBMLHPKHBBP-KKLWWLSJSA-N 0 3 604.876 8.094 50 0 KKAAHN CCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCC2)cc1 ZINC000095740191 553711622 /nfs/dbraw/zinc/71/16/22/553711622.db2.gz YQMUBMLHPKHBBP-HEVIKAOCSA-N 0 3 604.876 8.094 50 0 KKAAHN O=C1N=CN(c2ccc(Cl)cc2)C12CCN(CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000095918239 553715054 /nfs/dbraw/zinc/71/50/54/553715054.db2.gz BAOGCBJSWDFCDC-UHFFFAOYSA-N 0 3 509.000 6.056 50 0 KKAAHN Cn1cc([C@@H](CC(=O)NCCN2CCCC2)c2cccc(Oc3ccc(Cl)cc3)c2)c2ccccc21 ZINC000096275530 553732558 /nfs/dbraw/zinc/73/25/58/553732558.db2.gz PGNJGTPMHZSYHS-MHZLTWQESA-N 0 3 502.058 6.358 50 0 KKAAHN CCOc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096278986 553735732 /nfs/dbraw/zinc/73/57/32/553735732.db2.gz VBJIQEIHUKLRJU-SSEXGKCCSA-N 0 3 509.694 6.131 50 0 KKAAHN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)Cc2ccccc2)cc1 ZINC000096279943 553736494 /nfs/dbraw/zinc/73/64/94/553736494.db2.gz OJKLPLJYFUEDJY-UHFFFAOYSA-N 0 3 530.072 5.073 50 0 KKAAHN CCOc1cccc(-c2ccc3nc(-c4cccc(OC)c4)c(CCC(=O)NCCN4CCCC4)n3c2)c1 ZINC000096291299 553745113 /nfs/dbraw/zinc/74/51/13/553745113.db2.gz XQEFCIATUTUSSM-UHFFFAOYSA-N 0 3 512.654 5.220 50 0 KKAAHN OC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022576029 553747315 /nfs/dbraw/zinc/74/73/15/553747315.db2.gz BMFKCXTZYKHHJM-UHFFFAOYSA-N 0 3 560.786 5.162 50 0 KKAAHN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(=O)c2ccccc2Cl)cc1 ZINC000096294517 553747794 /nfs/dbraw/zinc/74/77/94/553747794.db2.gz ZNVGISQLMILFFI-UHFFFAOYSA-N 0 3 521.466 5.274 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000022795968 553750712 /nfs/dbraw/zinc/75/07/12/553750712.db2.gz JSINNAXMFTZUHV-CLJLJLNGSA-N 0 3 601.578 6.249 50 0 KKAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000022873399 553766237 /nfs/dbraw/zinc/76/62/37/553766237.db2.gz VHVJBTKSEFANSC-UIOOFZCWSA-N 0 3 611.584 5.705 50 0 KKAAHN Oc1ccccc1[C@H](CCN1CCN(CC[C@H](c2ccccc2)c2ccccc2O)CC1)c1ccccc1 ZINC000022938395 553768156 /nfs/dbraw/zinc/76/81/56/553768156.db2.gz OWMUFVWZUGNZTR-LOYHVIPDSA-N 0 3 506.690 6.460 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000097944123 553768709 /nfs/dbraw/zinc/76/87/09/553768709.db2.gz ZZAHSUXXKPZJRM-NRFANRHFSA-N 0 3 577.748 6.156 50 0 KKAAHN CN1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000022947467 553768785 /nfs/dbraw/zinc/76/87/85/553768785.db2.gz NELFVCYPOVDLKP-XHLNEMQHSA-N 0 3 561.151 5.387 50 0 KKAAHN CCOC(=O)CCCC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023430275 553775668 /nfs/dbraw/zinc/77/56/68/553775668.db2.gz CVOPCMZXWMPKHZ-UHFFFAOYSA-N 0 3 530.591 5.223 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000097953098 553819231 /nfs/dbraw/zinc/81/92/31/553819231.db2.gz BVKLXVDDFCVWMA-DNVJHFABSA-N 0 3 524.791 6.246 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000097954632 553824436 /nfs/dbraw/zinc/82/44/36/553824436.db2.gz LNFJRUBUMDHGKF-NJDAHSKKSA-N 0 3 528.200 5.263 50 0 KKAAHN Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000027585627 553835433 /nfs/dbraw/zinc/83/54/33/553835433.db2.gz IFIXZLFIXKXHLO-UHFFFAOYSA-N 0 3 527.594 6.635 50 0 KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963600 553891974 /nfs/dbraw/zinc/89/19/74/553891974.db2.gz WTKQFFWWDMKMQY-HDICACEKSA-N 0 3 561.770 5.003 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCCN3CCc4ccccc4C3)cnn2-c2ccccc2Cl)CC1 ZINC000033355774 553937005 /nfs/dbraw/zinc/93/70/05/553937005.db2.gz KMVIDYGWXWOJPA-UHFFFAOYSA-N 0 3 578.157 5.818 50 0 KKAAHN c1ccc(COC[C@@H]2NC[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000097976201 553968463 /nfs/dbraw/zinc/96/84/63/553968463.db2.gz HHIIDKLQTCPFQA-HWFRFQLBSA-N 0 3 523.673 5.931 50 0 KKAAHN COc1cc(OC)cc([C@@H](CC(=O)NCCN(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033724992 553970410 /nfs/dbraw/zinc/97/04/10/553970410.db2.gz QCUBHRHQAWVDBA-HHHXNRCGSA-N 0 3 503.618 5.046 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671711 553982618 /nfs/dbraw/zinc/98/26/18/553982618.db2.gz UABWLVIVSKWJTJ-SAIUNTKASA-N 0 3 522.664 6.756 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000034697684 553991254 /nfs/dbraw/zinc/99/12/54/553991254.db2.gz BFUDEVFTBRJZIS-KCWPFWIISA-N 0 3 511.563 5.523 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccnc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699124 553991780 /nfs/dbraw/zinc/99/17/80/553991780.db2.gz QBHQFXCSRWJHIQ-RPLLCQBOSA-N 0 3 513.579 6.254 50 0 KKAAHN CCOc1cc([C@@H]2NC[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982275 554000614 /nfs/dbraw/zinc/00/06/14/554000614.db2.gz XABJVGMMVLQHNK-YDYNHKSESA-N 0 3 613.552 7.620 50 0 KKAAHN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034830120 554014477 /nfs/dbraw/zinc/01/44/77/554014477.db2.gz MGLFGDLKKIEGCG-DLLPINGYSA-N 0 3 529.750 5.801 50 0 KKAAHN O=C(CCN1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034830072 554014486 /nfs/dbraw/zinc/01/44/86/554014486.db2.gz JYPNYUVXDPUTTN-HHHXNRCGSA-N 0 3 508.087 5.114 50 0 KKAAHN CCN1CCN(c2c(CN(Cc3ccccc3C(F)(F)F)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835959 554020352 /nfs/dbraw/zinc/02/03/52/554020352.db2.gz QQSKNLRYSAMJAJ-UHFFFAOYSA-N 0 3 531.642 6.139 50 0 KKAAHN COc1ccccc1N1CCN(C(=O)c2cc3oc(CN4CCC(C)CC4)cc3n2Cc2ccccc2)CC1 ZINC000034920065 554031335 /nfs/dbraw/zinc/03/13/35/554031335.db2.gz SKBVSPVKCCHYNJ-UHFFFAOYSA-N 0 3 526.681 5.486 50 0 KKAAHN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)CN(c4ccccc4OC)C3=O)c2)c(C(C)(C)CC)c1 ZINC000097997039 554039537 /nfs/dbraw/zinc/03/95/37/554039537.db2.gz QNFAZNSNRBOPQE-QNGWXLTQSA-N 0 3 775.387 8.913 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(COc5ccccc5C)nc4c32)cc1OC ZINC000098000267 554049466 /nfs/dbraw/zinc/04/94/66/554049466.db2.gz PKELZTWOEPHGDN-NDEPHWFRSA-N 0 3 560.614 5.809 50 0 KKAAHN O=C1C2ON(c3cccc(Br)c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000098008444 554067623 /nfs/dbraw/zinc/06/76/23/554067623.db2.gz JBGPXVAJRGZCSL-QHAWAJNXSA-N 0 3 562.645 5.916 50 0 KKAAHN COc1cc(OC)cc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000035768864 554072131 /nfs/dbraw/zinc/07/21/31/554072131.db2.gz VAXWGXSHPQDZSQ-GDLZYMKVSA-N 0 3 511.666 5.441 50 0 KKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCCC3)c3cccc(Cl)c3)c3ccccc32)cc1 ZINC000035815834 554078690 /nfs/dbraw/zinc/07/86/90/554078690.db2.gz XEIQSCQBRWVLQI-GDLZYMKVSA-N 0 3 514.113 6.776 50 0 KKAAHN CC(C)COC[C@@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000035842594 554081086 /nfs/dbraw/zinc/08/10/86/554081086.db2.gz WTHGOCHRDRLTCG-PMERELPUSA-N 0 3 549.800 6.028 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)C(C)C ZINC000035842593 554081202 /nfs/dbraw/zinc/08/12/02/554081202.db2.gz OWCCRSJRXLJGMQ-SSEXGKCCSA-N 0 3 505.747 6.012 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000035843301 554082186 /nfs/dbraw/zinc/08/21/86/554082186.db2.gz WTVFNLGSSLDTBR-NBJHOTSESA-N 0 3 514.556 5.682 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000098011785 554084130 /nfs/dbraw/zinc/08/41/30/554084130.db2.gz BRFUANJYZFBMTC-WJOKGBTCSA-N 0 3 553.732 5.003 50 0 KKAAHN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCCN(Cc4ccc(F)cc4)CC3)c12 ZINC000035924711 554097388 /nfs/dbraw/zinc/09/73/88/554097388.db2.gz QXFRBRVOKCCXKH-UHFFFAOYSA-N 0 3 520.656 5.875 50 0 KKAAHN CCCCN(CCCC(=O)OCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000098020064 554116129 /nfs/dbraw/zinc/11/61/29/554116129.db2.gz NCVYKMUGQGNNGD-UHFFFAOYSA-N 0 3 546.539 6.491 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1 ZINC000098043739 554128614 /nfs/dbraw/zinc/12/86/14/554128614.db2.gz IFUTVBBIKMJMLR-JWQCQUIFSA-N 0 3 769.376 7.230 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CCN(C[C@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048144 554159762 /nfs/dbraw/zinc/15/97/62/554159762.db2.gz FDKBURXQUBAXRF-ZRKBJOGQSA-N 0 3 736.960 9.304 50 0 KKAAHN O[C@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CCN(C[C@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048145 554159799 /nfs/dbraw/zinc/15/97/99/554159799.db2.gz FDKBURXQUBAXRF-COCZKOEFSA-N 0 3 736.960 9.304 50 0 KKAAHN Cc1cccc(OCc2nc(CN(CCN(C)C)C(=O)c3cccc(Br)c3)cs2)c1C ZINC000036114310 554178769 /nfs/dbraw/zinc/17/87/69/554178769.db2.gz QJKXVQXGLNKAPB-UHFFFAOYSA-N 0 3 502.478 5.305 50 0 KKAAHN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036301650 554211501 /nfs/dbraw/zinc/21/15/01/554211501.db2.gz QIMXNGXATPZSKZ-CVDCTZTESA-N 0 3 502.055 5.633 50 0 KKAAHN Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036301899 554212043 /nfs/dbraw/zinc/21/20/43/554212043.db2.gz RLQAOBIKYFYYJR-HHHXNRCGSA-N 0 3 502.058 6.442 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036303587 554213729 /nfs/dbraw/zinc/21/37/29/554213729.db2.gz XSYUWKVVUQOOHB-SANMLTNESA-N 0 3 502.058 6.442 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305210 554215028 /nfs/dbraw/zinc/21/50/28/554215028.db2.gz VXMCGLDDECJFSE-AREMUKBSSA-N 0 3 502.058 6.348 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1ccccc1F ZINC000036306854 554215747 /nfs/dbraw/zinc/21/57/47/554215747.db2.gz AHHOTCCTJRLSRD-DEOSSOPVSA-N 0 3 501.602 5.670 50 0 KKAAHN Cc1ccccc1OC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307310 554216216 /nfs/dbraw/zinc/21/62/16/554216216.db2.gz JESFAUWINSYGDE-AREMUKBSSA-N 0 3 515.629 5.979 50 0 KKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036307548 554216231 /nfs/dbraw/zinc/21/62/31/554216231.db2.gz SSARQQZPHSUXDB-AREMUKBSSA-N 0 3 503.618 5.807 50 0 KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371821 554348163 /nfs/dbraw/zinc/34/81/63/554348163.db2.gz DKGDGKXWDACQSD-QNGWXLTQSA-N 0 3 538.113 5.519 50 0 KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000058502112 554364539 /nfs/dbraw/zinc/36/45/39/554364539.db2.gz DFOCUWZXJBAUSQ-VMPREFPWSA-N 0 3 608.735 6.859 50 0 biogenic,in-vitro KKAAHN Cc1cc(C)c(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3)c2=O)c(C)c1 ZINC000100852623 554492796 /nfs/dbraw/zinc/49/27/96/554492796.db2.gz HCNWKWWJCRCJHB-UHFFFAOYSA-N 0 3 600.763 5.579 50 0 KKAAHN CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc21 ZINC000060209969 554503780 /nfs/dbraw/zinc/50/37/80/554503780.db2.gz VFUOAJNBAZACSL-UHFFFAOYSA-N 0 3 578.760 5.435 50 0 KKAAHN CCCCOc1ccc([C@](O)(CCCC)[C@@H](CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515016 554509771 /nfs/dbraw/zinc/50/97/71/554509771.db2.gz KEVZOGUKXGKGJX-JHOUSYSJSA-N 0 3 518.717 6.988 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997819 554538058 /nfs/dbraw/zinc/53/80/58/554538058.db2.gz VXASWNCNDAMJFB-FTJBHMTQSA-N 0 3 636.023 6.902 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000101084569 554580227 /nfs/dbraw/zinc/58/02/27/554580227.db2.gz JKEBFQKITFQNHM-SSBOKUKZSA-N 0 3 565.423 6.913 50 0 KKAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1cccc(Br)c1 ZINC000101099030 554585978 /nfs/dbraw/zinc/58/59/78/554585978.db2.gz BJHAKZLQWWHQME-UHFFFAOYSA-N 0 3 567.572 5.329 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101135323 554651123 /nfs/dbraw/zinc/65/11/23/554651123.db2.gz JMXJJWRHEJZENI-CYXNTTPDSA-N 0 3 506.986 5.579 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101136990 554651767 /nfs/dbraw/zinc/65/17/67/554651767.db2.gz PFQCQWMNQSYIRF-CYXNTTPDSA-N 0 3 506.986 5.579 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101139068 554652356 /nfs/dbraw/zinc/65/23/56/554652356.db2.gz FYUFHMAAIMMXGC-OLUZHXLYSA-N 0 3 540.575 6.110 50 0 KKAAHN CC1(C)O[C@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](NCc3ccccc3)[C@H]2O1 ZINC000101173129 554662277 /nfs/dbraw/zinc/66/22/77/554662277.db2.gz QUEDKPPKOLPPSC-SEVDZJIVSA-N 0 3 521.657 6.030 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000101178404 554665583 /nfs/dbraw/zinc/66/55/83/554665583.db2.gz OATLEPQUFIVYPC-VSKRKVRLSA-N 0 3 513.775 5.162 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000101190810 554670566 /nfs/dbraw/zinc/67/05/66/554670566.db2.gz JIKZPGGKQQGBMI-UUQNIDNHSA-N 0 3 546.026 5.981 50 0 KKAAHN Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000101192234 554670733 /nfs/dbraw/zinc/67/07/33/554670733.db2.gz UNSLLAHCOQRCMB-QFIPXVFZSA-N 0 3 557.330 5.811 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4cncc(Br)c4)ccc3nc3c2CCCC3)cc1OC ZINC000101193508 554671544 /nfs/dbraw/zinc/67/15/44/554671544.db2.gz UQEAISMFVQRPMD-UHFFFAOYSA-N 0 3 533.426 6.284 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000101209417 554678285 /nfs/dbraw/zinc/67/82/85/554678285.db2.gz WYUHGIYAMHANNI-VSKRKVRLSA-N 0 3 513.775 5.162 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101234536 554690035 /nfs/dbraw/zinc/69/00/35/554690035.db2.gz VOGICXLSCLNYCX-VXNXHJTFSA-N 0 3 507.384 5.126 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386107 554750971 /nfs/dbraw/zinc/75/09/71/554750971.db2.gz ABUUUEDBHBZQHV-ZQAZVOLISA-N 0 3 594.800 7.256 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)cc1 ZINC000101386155 554751161 /nfs/dbraw/zinc/75/11/61/554751161.db2.gz IGWFBYWUICWPQV-FREGXXQWSA-N 0 3 542.724 5.709 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386171 554751250 /nfs/dbraw/zinc/75/12/50/554751250.db2.gz GJRJSGAKIAPDFN-MYVCOICNSA-N 0 3 623.798 6.150 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000101386129 554751274 /nfs/dbraw/zinc/75/12/74/554751274.db2.gz KURRTRAUUXOBQV-ZQAZVOLISA-N 0 3 597.804 5.537 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386174 554751297 /nfs/dbraw/zinc/75/12/97/554751297.db2.gz IRTMCEUDIVAEBN-NHZFLZHXSA-N 0 3 606.815 6.199 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386211 554751422 /nfs/dbraw/zinc/75/14/22/554751422.db2.gz XPSUQOOIMPKGHI-ZBWWXOROSA-N 0 3 610.774 6.886 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386195 554751518 /nfs/dbraw/zinc/75/15/18/554751518.db2.gz LINHNLOWQAVSJX-JADSYQMUSA-N 0 3 640.800 6.894 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386237 554751524 /nfs/dbraw/zinc/75/15/24/554751524.db2.gz XVKPUBUOGCGNQE-ZJJOJAIXSA-N 0 3 605.827 6.804 50 0 KKAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000101406827 554761999 /nfs/dbraw/zinc/76/19/99/554761999.db2.gz SYNRQYRZKMBATH-LJQANCHMSA-N 0 3 538.088 6.395 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CCc5ccccc5C4)cc3)C2=O)c1 ZINC000101426252 554768722 /nfs/dbraw/zinc/76/87/22/554768722.db2.gz GGAFUZOFPMKYJW-PPFNPFNJSA-N 0 3 557.694 6.140 50 0 KKAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)o1 ZINC000101492981 554786337 /nfs/dbraw/zinc/78/63/37/554786337.db2.gz UIYNMPKNVMFBPZ-YYTYUTFWSA-N 0 3 594.778 5.536 50 0 KKAAHN Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCN4CCCCCC4)cc3)C2=O)c1 ZINC000101506291 554789871 /nfs/dbraw/zinc/78/98/71/554789871.db2.gz CPMQSGBGSSIZNB-VAMRJTSQSA-N 0 3 539.745 6.589 50 0 KKAAHN CCN1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cc(C)ccc4C)C3=O)cc2)CC1 ZINC000101507227 554791164 /nfs/dbraw/zinc/79/11/64/554791164.db2.gz MMACXFBWMCFRAK-DFKUXCBWSA-N 0 3 554.760 5.351 50 0 KKAAHN CCCN1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cc(C)ccc4C)C3=O)cc2)CC1 ZINC000101507749 554791530 /nfs/dbraw/zinc/79/15/30/554791530.db2.gz RMKGLNJXVRSZBN-IWBSIUBASA-N 0 3 582.814 6.131 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101618512 554806716 /nfs/dbraw/zinc/80/67/16/554806716.db2.gz ZMIGMFWBUIHALR-FIRIVFDPSA-N 0 3 556.776 5.296 50 0 KKAAHN O=C(NCCN1CCCCCC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101636578 554813118 /nfs/dbraw/zinc/81/31/18/554813118.db2.gz IGYJOIXGZRSKFW-XHLNEMQHSA-N 0 3 546.136 6.626 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101636833 554813207 /nfs/dbraw/zinc/81/32/07/554813207.db2.gz XTFLTUMEXSLHAE-KDXMTYKHSA-N 0 3 566.167 6.299 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637717 554813914 /nfs/dbraw/zinc/81/39/14/554813914.db2.gz VPBWISGIZKKCAQ-KVQDIILNSA-N 0 3 637.249 6.958 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101669651 554823031 /nfs/dbraw/zinc/82/30/31/554823031.db2.gz SHTPDBKUWALGMG-VJGNERBWSA-N 0 3 565.464 6.078 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101672487 554826136 /nfs/dbraw/zinc/82/61/36/554826136.db2.gz HXMUMYVNZGBUIT-NHKHRBQYSA-N 0 3 585.454 6.088 50 0 KKAAHN O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000101687868 554829976 /nfs/dbraw/zinc/82/99/76/554829976.db2.gz LWAOIVJRFILMDR-ANYBSYGZSA-N 0 3 579.688 6.256 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000102085288 554876415 /nfs/dbraw/zinc/87/64/15/554876415.db2.gz RGMSCIUEXKEGHY-FDFHNCONSA-N 0 3 545.444 5.818 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4c(F)cccc4F)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135968 554887769 /nfs/dbraw/zinc/88/77/69/554887769.db2.gz JACUDBMFMXBBPT-BWKNWUBXSA-N 0 3 559.579 5.670 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cc(C)cc(C)c3)C2)cc1OC ZINC000102139115 554888073 /nfs/dbraw/zinc/88/80/73/554888073.db2.gz ZUNTYVDMXDMDMS-URLMMPGGSA-N 0 3 555.719 5.203 50 0 KKAAHN CC(C)(C)c1ccc(/C=C/C(=O)NCCCN2CCN(CCCNC(=O)/C=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000102190767 554894083 /nfs/dbraw/zinc/89/40/83/554894083.db2.gz JIHQDDPOJWHYJV-LRVMPXQBSA-N 0 3 572.838 5.638 50 0 KKAAHN COc1ccccc1CNC(=O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102411531 554923573 /nfs/dbraw/zinc/92/35/73/554923573.db2.gz WUZRVMUMMRJQOA-BHBYDHKZSA-N 0 3 579.160 5.597 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1)Nc1ccc(F)c(F)c1 ZINC000102427460 554926278 /nfs/dbraw/zinc/92/62/78/554926278.db2.gz PRDCGFREYPOEBW-MUAVYFROSA-N 0 3 571.087 6.189 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000102589344 554973813 /nfs/dbraw/zinc/97/38/13/554973813.db2.gz RHIUUHJTFQMRIA-UHFFFAOYSA-N 0 3 538.635 7.236 50 0 KKAAHN CCN1CCN(C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)CN3Cc3ccc4c(c3)Cc3ccccc3-4)CC2)CC1 ZINC000102650649 554995582 /nfs/dbraw/zinc/99/55/82/554995582.db2.gz DKONEUIRAMCRIR-DITALETJSA-N 0 3 581.830 5.017 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C1=O ZINC000102727320 555022331 /nfs/dbraw/zinc/02/23/31/555022331.db2.gz XECHRCZXJANQFM-WXFUMESZSA-N 0 3 504.373 5.901 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc5ccccc5nc4Cl)[C@@H]3C2=O)cc1 ZINC000102732518 555024082 /nfs/dbraw/zinc/02/40/82/555024082.db2.gz HZSICYNQWBCOCM-KKUQBAQOSA-N 0 3 513.981 5.728 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102743335 555033822 /nfs/dbraw/zinc/03/38/22/555033822.db2.gz QUTMYCXWAXWEMC-TWJOJJKGSA-N 0 3 541.431 6.232 50 0 KKAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000102744990 555036441 /nfs/dbraw/zinc/03/64/41/555036441.db2.gz UPXBEVAYFJAZCX-FSSWDIPSSA-N 0 3 559.247 5.324 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102750799 555044269 /nfs/dbraw/zinc/04/42/69/555044269.db2.gz PFQCQWMNQSYIRF-TWJOJJKGSA-N 0 3 506.986 5.579 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCCc4ccccc4)C(=O)N32)cc1 ZINC000102752262 555044741 /nfs/dbraw/zinc/04/47/41/555044741.db2.gz BXVYQPYEAARMPL-KAYWLYCHSA-N 0 3 567.715 5.107 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102753384 555045506 /nfs/dbraw/zinc/04/55/06/555045506.db2.gz FGOMSAZEUOUEFS-ZONZVBGPSA-N 0 3 504.558 5.454 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102757350 555050046 /nfs/dbraw/zinc/05/00/46/555050046.db2.gz KMBZLXQMZZLFQE-CCDWMCETSA-N 0 3 533.353 5.899 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Br)cc5)o4)[C@@H]3C2=O)cc1 ZINC000102758492 555050605 /nfs/dbraw/zinc/05/06/05/555050605.db2.gz VPGWVCQZJPOUKZ-KKUQBAQOSA-N 0 3 529.390 6.069 50 0 KKAAHN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000102761421 555052704 /nfs/dbraw/zinc/05/27/04/555052704.db2.gz VPHPLBLPSHSMEZ-MHZLTWQESA-N 0 3 534.682 5.073 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000102762103 555053031 /nfs/dbraw/zinc/05/30/31/555053031.db2.gz ABSHEGAFHJLYPM-KMDXXIMOSA-N 0 3 507.384 5.071 50 0 KKAAHN CN(CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)Cc1ccccc1 ZINC000102769741 555057167 /nfs/dbraw/zinc/05/71/67/555057167.db2.gz RMDHXCHLEBJORH-JDCMOKTRSA-N 0 3 549.646 6.044 50 0 KKAAHN COc1ccc(C(O)(c2ccc(CN(Cc3ccc(OC)c(OC)c3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000102772187 555061260 /nfs/dbraw/zinc/06/12/60/555061260.db2.gz YILOCPJTZDZJKB-UHFFFAOYSA-N 0 3 545.676 6.256 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@@H]3C1=O)CCCC2 ZINC000102863182 555092846 /nfs/dbraw/zinc/09/28/46/555092846.db2.gz QFYQOZHFIRBPAQ-CCDWMCETSA-N 0 3 516.619 5.163 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102883931 555112657 /nfs/dbraw/zinc/11/26/57/555112657.db2.gz ALJBADOISWIGCG-NXCFDTQHSA-N 0 3 598.437 5.530 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102884972 555114848 /nfs/dbraw/zinc/11/48/48/555114848.db2.gz FUWAYZYFEKSGHJ-JBOQNHBVSA-N 0 3 589.475 7.022 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000102890577 555125835 /nfs/dbraw/zinc/12/58/35/555125835.db2.gz FSTVWFOEGZOODZ-CKXMCULTSA-N 0 3 551.067 6.566 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102894553 555132638 /nfs/dbraw/zinc/13/26/38/555132638.db2.gz ULZKVTIAJPOSSB-JBOQNHBVSA-N 0 3 599.481 6.478 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000102997873 555197217 /nfs/dbraw/zinc/19/72/17/555197217.db2.gz BBZAXALXEOLLTC-UHFFFAOYSA-N 0 3 524.879 7.256 50 0 KKAAHN Cc1ccc(NC(=O)N(CCN2CCCC2)CC(=O)N2CCc3sccc3[C@H]2COc2ccc(C(C)C)cc2)cc1 ZINC000103035171 555222617 /nfs/dbraw/zinc/22/26/17/555222617.db2.gz AHTCDWJLLAQSDK-SSEXGKCCSA-N 0 3 574.791 6.315 50 0 KKAAHN Cc1ccc(CO[C@@H]2C[C@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000103124924 555292906 /nfs/dbraw/zinc/29/29/06/555292906.db2.gz UOYWHCFPOXRJSX-FATKCUQPSA-N 0 3 590.683 5.381 50 0 KKAAHN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(CCc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000103235073 555342375 /nfs/dbraw/zinc/34/23/75/555342375.db2.gz CHEQNKJSFPHLPZ-UHFFFAOYSA-N 0 3 528.035 5.222 50 0 KKAAHN O=C(c1cccnc1Cl)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000103301594 555355746 /nfs/dbraw/zinc/35/57/46/555355746.db2.gz UCRAIYNHBOWGOB-BWKNWUBXSA-N 0 3 529.006 5.432 50 0 KKAAHN COc1cc(OC)cc([C@H](CC(=O)NCCN2CCCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000103355151 555363956 /nfs/dbraw/zinc/36/39/56/555363956.db2.gz WAIGUKDIRPFYEY-PMERELPUSA-N 0 3 543.683 5.970 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@H](OCc3c(F)cccc3F)[C@@H]2O1 ZINC000103365486 555365870 /nfs/dbraw/zinc/36/58/70/555365870.db2.gz JIRLNUDAXPQGRY-DEJVGURISA-N 0 3 612.636 5.350 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Oc2ccc(Cl)cc2)c1)NCCN1CCCC1 ZINC000103417010 555397846 /nfs/dbraw/zinc/39/78/46/555397846.db2.gz HBCNOHKTEJPQML-XIFFEERXSA-N 0 3 596.146 8.008 50 0 KKAAHN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103421075 555401689 /nfs/dbraw/zinc/40/16/89/555401689.db2.gz XNZPHEWWAYWEOK-PGUFJCEWSA-N 0 3 587.764 7.011 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OCc2ccccc2)cc1)NCCN1CCCC1 ZINC000103427964 555410055 /nfs/dbraw/zinc/41/00/55/555410055.db2.gz WSIVYFJJHYTKNP-UUWRZZSWSA-N 0 3 557.738 7.003 50 0 KKAAHN c1ccc(-c2ccc([C@@H](c3ccccc3)N3CCN([C@@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)cc2)cc1 ZINC000103625586 555457357 /nfs/dbraw/zinc/45/73/57/555457357.db2.gz GPNHYCAEFDGVBC-ZRKBJOGQSA-N 0 3 570.780 9.517 50 0 KKAAHN COCCCN1C2=C(CC/C2=C\c2ccc(OC)cc2)C(c2ccc(OC)cc2)C2=C1/C(=C/c1ccc(OC)cc1)CC2 ZINC000104022278 571371331 /nfs/dbraw/zinc/37/13/31/571371331.db2.gz RMUIRMCQRPNAHK-HJBHGHCOSA-N 0 3 575.749 8.411 50 0 KKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NCc4cccc(F)c4)cc3[C@@H]2c2ccccc2)c1 ZINC000105023104 571389434 /nfs/dbraw/zinc/38/94/34/571389434.db2.gz JGCONOBZURGCRR-QNLPTKCRSA-N 0 3 508.637 6.366 50 0 KKAAHN COc1cc(CN2C[C@@H](c3ccccc3)[C@H](CN(CC(C)C)C(=O)c3ccccc3F)C2)cc(OC)c1 ZINC000105041363 571390199 /nfs/dbraw/zinc/39/01/99/571390199.db2.gz ZXOFJOFVHPIAAQ-SVEHJYQDSA-N 0 3 504.646 5.857 50 0 KKAAHN COc1ccc([C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042759 571390324 /nfs/dbraw/zinc/39/03/24/571390324.db2.gz YIPQTEYEQKRBKX-SQHAQQRYSA-N 0 3 514.563 6.117 50 0 KKAAHN Cc1ccccc1C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000105060672 571390660 /nfs/dbraw/zinc/39/06/60/571390660.db2.gz PQDBPBCIWVBSMH-IADCTJSHSA-N 0 3 501.696 5.076 50 0 KKAAHN O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000105791445 571408621 /nfs/dbraw/zinc/40/86/21/571408621.db2.gz MAIWFRLTLAWYSJ-NJDAHSKKSA-N 0 3 572.857 5.910 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000105795277 571408686 /nfs/dbraw/zinc/40/86/86/571408686.db2.gz CQUVIFAURCHYJI-JFHPUIQFSA-N 0 3 578.621 5.754 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000105796677 571408951 /nfs/dbraw/zinc/40/89/51/571408951.db2.gz ZDHMENHNRNTZHL-GMQQYTKMSA-N 0 3 561.015 5.159 50 0 KKAAHN CC[C@H](C)OC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000105886692 571409209 /nfs/dbraw/zinc/40/92/09/571409209.db2.gz RZJZGAADPCCXEV-NRFANRHFSA-N 0 3 608.623 8.219 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OS(=O)(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000106018051 571410495 /nfs/dbraw/zinc/41/04/95/571410495.db2.gz OYNRONYGRHGLMX-IDZRBWSNSA-N 0 3 584.650 5.294 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106018018 571410517 /nfs/dbraw/zinc/41/05/17/571410517.db2.gz NGPGDNUELGEEOY-UNMGZEBXSA-N 0 3 550.655 5.601 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1OC ZINC000106017173 571410591 /nfs/dbraw/zinc/41/05/91/571410591.db2.gz ALJBADOISWIGCG-TWJOJJKGSA-N 0 3 598.437 5.530 50 0 KKAAHN O=C1c2ccccc2[C@H]([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000110565217 571431624 /nfs/dbraw/zinc/43/16/24/571431624.db2.gz DQPCOOIKAATCSW-NWSMARCJSA-N 0 3 562.025 6.297 50 0 KKAAHN O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 ZINC000137044637 571450044 /nfs/dbraw/zinc/45/00/44/571450044.db2.gz KZKALOHEEHRXFT-UHFFFAOYSA-N 0 3 567.557 6.428 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000137490615 571450367 /nfs/dbraw/zinc/45/03/67/571450367.db2.gz OATLEPQUFIVYPC-BHDDXSALSA-N 0 3 513.775 5.162 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000138672343 571451822 /nfs/dbraw/zinc/45/18/22/571451822.db2.gz NDOMFXDRSADJGA-PWRODBHTSA-N 0 3 504.411 5.358 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000143606955 571456314 /nfs/dbraw/zinc/45/63/14/571456314.db2.gz QVOCJQGIFZXWSY-FRXPANAUSA-N 0 3 522.601 6.078 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000150344815 571459493 /nfs/dbraw/zinc/45/94/93/571459493.db2.gz JLVIBXZXLSSJGK-UIOOFZCWSA-N 0 3 848.272 7.992 50 0 KKAAHN COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150389203 571471652 /nfs/dbraw/zinc/47/16/52/571471652.db2.gz FBXKFTBPTOKLGI-LFIBNONCSA-N 0 3 665.749 9.271 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000150442464 571499007 /nfs/dbraw/zinc/49/90/07/571499007.db2.gz WRTRQZSWPGRWIC-FSSWDIPSSA-N 0 3 654.142 5.787 50 0 KKAAHN CCN(CC)C[C@@H](O)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@H](O)CN(CC)CC)c(Br)c2)cc1Br ZINC000150500174 571518582 /nfs/dbraw/zinc/51/85/82/571518582.db2.gz RKOFWDKKXNCXBS-QZTJIDSGSA-N 0 3 824.265 5.732 50 0 KKAAHN COc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c(OC)c1OC ZINC000150664105 571528430 /nfs/dbraw/zinc/52/84/30/571528430.db2.gz DSPFMEDEGSWMLD-BHIFYINESA-N 0 3 635.298 5.042 50 0 KKAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169680884 571557168 /nfs/dbraw/zinc/55/71/68/571557168.db2.gz CTPFBMUCGTVGCK-JHOBJCJYSA-N 0 3 507.744 5.424 50 0 KKAAHN Cc1cccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2nc3ccccc3c(-c3ccc(Cl)cc3)n2)c1 ZINC000170614219 571561934 /nfs/dbraw/zinc/56/19/34/571561934.db2.gz YFAWIZAGOUMOFN-SSEXGKCCSA-N 0 3 518.064 7.680 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(OC)cc4OC)[C@@H]3C1=O)CCCC2 ZINC000170620720 571562667 /nfs/dbraw/zinc/56/26/67/571562667.db2.gz RFRBKAHNUSAJDB-CCDWMCETSA-N 0 3 583.062 5.135 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000299781287 572136118 /nfs/dbraw/zinc/13/61/18/572136118.db2.gz DLYMUKKPBAMFBY-BHBYDHKZSA-N 0 3 561.170 6.089 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000226831797 572142483 /nfs/dbraw/zinc/14/24/83/572142483.db2.gz MIDUIQKOYYYSTN-PCCBWWKXSA-N 0 3 517.301 5.519 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226830313 572142636 /nfs/dbraw/zinc/14/26/36/572142636.db2.gz AWTMRMZOPKALKI-ZGIBFIJWSA-N 0 3 534.568 5.274 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226826887 572142746 /nfs/dbraw/zinc/14/27/46/572142746.db2.gz AEFDWUVQUGACEF-ZGIBFIJWSA-N 0 3 534.568 5.274 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1Br ZINC000226823259 572142949 /nfs/dbraw/zinc/14/29/49/572142949.db2.gz PYKBDSGRJSXQIY-BHDDXSALSA-N 0 3 513.775 5.162 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000226891065 572144689 /nfs/dbraw/zinc/14/46/89/572144689.db2.gz WJBKNADKNWZSOA-JIMJEQGWSA-N 0 3 500.938 5.259 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000226891065 572144693 /nfs/dbraw/zinc/14/46/93/572144693.db2.gz WJBKNADKNWZSOA-JIMJEQGWSA-N 0 3 500.938 5.259 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000227021418 572147240 /nfs/dbraw/zinc/14/72/40/572147240.db2.gz YPNBMVQWNKQRHU-RWSKJCERSA-N 0 3 596.611 5.893 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000227028910 572148249 /nfs/dbraw/zinc/14/82/49/572148249.db2.gz GUJNKBADFJYEPG-CCDWMCETSA-N 0 3 584.253 7.067 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000227068388 572148793 /nfs/dbraw/zinc/14/87/93/572148793.db2.gz HPNZLCQQRNYUOT-YTCPBCGMSA-N 0 3 555.417 7.458 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000227085476 572149585 /nfs/dbraw/zinc/14/95/85/572149585.db2.gz OEULSDVNRAXMCN-HZFUHODCSA-N 0 3 575.042 5.467 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227229912 572150900 /nfs/dbraw/zinc/15/09/00/572150900.db2.gz TZUNLFJDWCLZIL-FRXPANAUSA-N 0 3 599.481 6.396 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227229567 572151088 /nfs/dbraw/zinc/15/10/88/572151088.db2.gz DYHPUZLBYYJFMS-UPRLRBBYSA-N 0 3 646.437 5.570 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000227234212 572151711 /nfs/dbraw/zinc/15/17/11/572151711.db2.gz UKRDWDBPEWEPTA-GMQQYTKMSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227233893 572151861 /nfs/dbraw/zinc/15/18/61/572151861.db2.gz AAAJFWWGPFFRCY-ZGIBFIJWSA-N 0 3 603.444 6.227 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227292848 572153615 /nfs/dbraw/zinc/15/36/15/572153615.db2.gz OIRWBXMOGKGXBN-UPRLRBBYSA-N 0 3 599.437 5.728 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000229883966 572165255 /nfs/dbraw/zinc/16/52/55/572165255.db2.gz WFEJDWMJQSCMGU-OYUWMTPXSA-N 0 3 605.466 5.268 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229894635 572166186 /nfs/dbraw/zinc/16/61/86/572166186.db2.gz FPZGGSJOLALZIE-ISJGIBHGSA-N 0 3 574.247 7.611 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000229944625 572172522 /nfs/dbraw/zinc/17/25/22/572172522.db2.gz DLRWMULHGRLADS-ISJGIBHGSA-N 0 3 594.259 6.523 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000229968740 572175400 /nfs/dbraw/zinc/17/54/00/572175400.db2.gz NYWSEYZHPZROSX-YTFSRNRJSA-N 0 3 591.900 6.425 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000229969408 572175516 /nfs/dbraw/zinc/17/55/16/572175516.db2.gz JKBGJHNTTIDYDC-RBZQAINGSA-N 0 3 571.482 6.080 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000229976461 572176129 /nfs/dbraw/zinc/17/61/29/572176129.db2.gz MIDUIQKOYYYSTN-PWRODBHTSA-N 0 3 517.301 5.519 50 0 KKAAHN COc1ccc(/C=C2\CN(Cc3ccccc3)C[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000230042054 572181192 /nfs/dbraw/zinc/18/11/92/572181192.db2.gz ZGMYKCLMCYAYHD-QEKCYJIBSA-N 0 3 515.657 6.837 50 0 KKAAHN CN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077241 572182584 /nfs/dbraw/zinc/18/25/84/572182584.db2.gz QEURWTABXZDXKQ-IZLXSDGUSA-N 0 3 501.696 5.610 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000230189661 572185116 /nfs/dbraw/zinc/18/51/16/572185116.db2.gz AMHLAVZLNYUKGP-XVOBZGQLSA-N 0 3 537.830 6.209 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000238901130 572189128 /nfs/dbraw/zinc/18/91/28/572189128.db2.gz LDFOLHSLSBNNIK-XPWALMASSA-N 0 3 516.903 5.809 50 0 KKAAHN CC[C@H](C)N(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000245228513 572205398 /nfs/dbraw/zinc/20/53/98/572205398.db2.gz FJAIBEYEPBUOIH-ZGOJTZKKSA-N 0 3 521.727 6.085 50 0 KKAAHN CC[C@H](C)N(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000245228616 572205414 /nfs/dbraw/zinc/20/54/14/572205414.db2.gz ZMIQZIMIKPRVMV-GJDOKZOISA-N 0 3 533.738 6.371 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239872 572213529 /nfs/dbraw/zinc/21/35/29/572213529.db2.gz GGJSBAVHTXLFCL-BYBRNZAOSA-N 0 3 537.040 6.258 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239908 572213571 /nfs/dbraw/zinc/21/35/71/572213571.db2.gz GXIJCBIMSSQPFG-BYBRNZAOSA-N 0 3 537.040 6.258 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C(=O)OC)CC[C@H](C(C)(C)C)C5)C(=O)C3ON2c2ccccc2)cc1OC ZINC000245247862 572221168 /nfs/dbraw/zinc/22/11/68/572221168.db2.gz YLYWLVZFSPBBLJ-GSEVSCEOSA-N 0 3 632.779 6.534 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245247832 572221202 /nfs/dbraw/zinc/22/12/02/572221202.db2.gz YBBWWYMELMAGHI-XTQYNZLPSA-N 0 3 508.593 5.723 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245247595 572221363 /nfs/dbraw/zinc/22/13/63/572221363.db2.gz XDHCAZPPMAKEJD-ZPNDBRHUSA-N 0 3 574.608 5.699 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311019 572228780 /nfs/dbraw/zinc/22/87/80/572228780.db2.gz LNTPTLAVZQVZQM-CILKRHGOSA-N 0 3 546.026 5.900 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000245310779 572228902 /nfs/dbraw/zinc/22/89/02/572228902.db2.gz KPQPZBXYSSOLFS-HPNWTYDNSA-N 0 3 544.582 5.690 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)cc1 ZINC000245311384 572229452 /nfs/dbraw/zinc/22/94/52/572229452.db2.gz OOSVWNFTSWRROP-TWJOJJKGSA-N 0 3 519.384 6.613 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000245312368 572229718 /nfs/dbraw/zinc/22/97/18/572229718.db2.gz UZAVEVBWGKVKHW-HPNWTYDNSA-N 0 3 544.582 5.690 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000245343314 572238280 /nfs/dbraw/zinc/23/82/80/572238280.db2.gz LRLFKNQGLFKLBZ-WNJJXGMVSA-N 0 3 576.625 8.047 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000247851438 572246235 /nfs/dbraw/zinc/24/62/35/572246235.db2.gz JACJOPKJWBWRCX-BYBRNZAOSA-N 0 3 502.595 5.604 50 0 KKAAHN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4C[C@@H](C)N(Cc5ccccc5)[C@@H](C)C4)C3)nc3ccccc32)cc1 ZINC000247878539 572248043 /nfs/dbraw/zinc/24/80/43/572248043.db2.gz IESVWSXTVWCJGT-HRHHFINDSA-N 0 3 565.762 5.427 50 0 KKAAHN CC(C)n1c(CN2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247984809 572251433 /nfs/dbraw/zinc/25/14/33/572251433.db2.gz ILDHHERDDRHVCO-LJAQVGFWSA-N 0 3 535.736 5.763 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248099124 572253626 /nfs/dbraw/zinc/25/36/26/572253626.db2.gz OQDQWEHJGKJEQU-ABYGYWHVSA-N 0 3 520.639 7.103 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2c2ccccc2)cc1 ZINC000248121612 572254218 /nfs/dbraw/zinc/25/42/18/572254218.db2.gz SAVYTGWDLKJHKL-YTMVLYRLSA-N 0 3 508.628 7.028 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccnc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248245042 572256987 /nfs/dbraw/zinc/25/69/87/572256987.db2.gz QBHQFXCSRWJHIQ-SQHAQQRYSA-N 0 3 513.579 6.254 50 0 KKAAHN COc1ccc([C@@H]2CC(=O)[C@H]([C@H]3NCCc4ccccc43)C(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000248266678 572257600 /nfs/dbraw/zinc/25/76/00/572257600.db2.gz ZQUBRKJSKNTGGQ-KTJVCJKDSA-N 0 3 528.958 5.675 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000248330039 572258152 /nfs/dbraw/zinc/25/81/52/572258152.db2.gz FENAJJSBOYTMHK-KCIBBDPESA-N 0 3 511.581 5.328 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccn1)[C@@]21c2ccccc2NC1=O ZINC000248330039 572258153 /nfs/dbraw/zinc/25/81/53/572258153.db2.gz FENAJJSBOYTMHK-KCIBBDPESA-N 0 3 511.581 5.328 50 0 KKAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C(=O)[C@H]3Cc4ccccc4CO3)CC2)CC1 ZINC000252478282 572261432 /nfs/dbraw/zinc/26/14/32/572261432.db2.gz AICHBKNURKIUKC-GDLZYMKVSA-N 0 3 598.710 5.611 50 0 KKAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252585320 572264521 /nfs/dbraw/zinc/26/45/21/572264521.db2.gz HSEDMGOCZZYPGG-UWZBRCLASA-N 0 3 708.731 5.231 50 0 KKAAHN CN(CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585642 572264797 /nfs/dbraw/zinc/26/47/97/572264797.db2.gz KBLHILREQNVSSP-QGTBSMAUSA-N 0 3 625.597 5.054 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936664 1069824116 /nfs/dbraw/zinc/82/41/16/1069824116.db2.gz JBLOXHQFXNLXLO-HHHXNRCGSA-N 0 3 545.687 6.188 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101964923 1069838266 /nfs/dbraw/zinc/83/82/66/1069838266.db2.gz TUORCACQSBWQAY-MHZLTWQESA-N 0 3 561.648 6.746 50 0 KKAAHN COc1ccc([C@](O)([C@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734250 1069837708 /nfs/dbraw/zinc/83/77/08/1069837708.db2.gz NCHYNYKOJPQQIY-IGHJDKERSA-N 0 3 609.254 8.308 50 0 KKAAHN C[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)Oc1cccc(CN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000011815199 1071232054 /nfs/dbraw/zinc/23/20/54/1071232054.db2.gz HJGWNCKSBZGGQQ-QHCPKHFHSA-N 0 3 527.640 5.439 50 0 KKAAHN N#CC1=C([S-])N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(Br)cc1 ZINC000036020196 1071255957 /nfs/dbraw/zinc/25/59/57/1071255957.db2.gz JHNMEQVTHLWGNP-SLQPCKNISA-O 0 3 515.456 5.328 50 0 KKAAHN CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)/C=C\c3ccc4c(c3)OCO4)c(CN(C)C)c21 ZINC000034849178 1072825428 /nfs/dbraw/zinc/82/54/28/1072825428.db2.gz FHCPOZRZVPWVSU-PTNGSMBKSA-N 0 3 513.546 5.686 50 0 KKAAHN COc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(C)cccc1C ZINC000001788038 551701055 /nfs/dbraw/zinc/70/10/55/551701055.db2.gz JVXGDZNXWZNKSE-JGCGQSQUSA-N 0 3 518.657 7.186 50 0 biogenic KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000001793381 551702207 /nfs/dbraw/zinc/70/22/07/551702207.db2.gz JKBGJHNTTIDYDC-TZRRMPRUSA-N 0 3 571.482 6.080 50 0 KKAAHN Cc1ccc(S(=O)(=O)N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2cccc(C)c2)cc1 ZINC000001819891 551708653 /nfs/dbraw/zinc/70/86/53/551708653.db2.gz HIDNBNMCAVYJQC-SSEXGKCCSA-N 0 3 514.691 5.562 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001853794 551716001 /nfs/dbraw/zinc/71/60/01/551716001.db2.gz KDWRELCAWIZHRN-OCBJUFRSSA-N 0 3 555.030 6.369 50 0 KKAAHN CCOc1ccccc1-c1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c3ccccc3[nH]c21 ZINC000002121952 551770865 /nfs/dbraw/zinc/77/08/65/551770865.db2.gz WAVOMHOVECUPAI-UHFFFAOYSA-N 0 3 504.634 6.176 50 0 biogenic KKAAHN COc1ccccc1N(C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002203035 551793082 /nfs/dbraw/zinc/79/30/82/551793082.db2.gz RJRLQVROPIDMOO-MUUNZHRXSA-N 0 3 530.690 5.262 50 0 KKAAHN CCOC(=O)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002325138 552095198 /nfs/dbraw/zinc/09/51/98/552095198.db2.gz JZLKJFUUJBMNDH-JOCHJYFZSA-N 0 3 500.507 5.468 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000002402154 552111507 /nfs/dbraw/zinc/11/15/07/552111507.db2.gz UUVNEGGURRLIHJ-DSNGMDLFSA-N 0 3 539.802 6.958 50 0 KKAAHN CN(Cc1cc(Br)cc(Br)c1NC(=O)c1cc2ccccc2oc1=O)C1CCCCC1 ZINC000002754363 552177171 /nfs/dbraw/zinc/17/71/71/552177171.db2.gz BPZYYGZUVLNJCC-UHFFFAOYSA-N 0 3 548.275 6.335 50 0 KKAAHN CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000002857253 552202737 /nfs/dbraw/zinc/20/27/37/552202737.db2.gz JYOWYHBLJBCTSL-AREMUKBSSA-N 0 3 502.998 5.522 50 0 KKAAHN Cc1ccccc1S(=O)(=O)N(C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000002948054 552228250 /nfs/dbraw/zinc/22/82/50/552228250.db2.gz ZWTZIIBHLDQLQX-GDLZYMKVSA-N 0 3 500.664 5.254 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968475 552240849 /nfs/dbraw/zinc/24/08/49/552240849.db2.gz WJMQQOWZNRZGEA-RPBOFIJWSA-N 0 3 590.105 5.164 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968779 552242250 /nfs/dbraw/zinc/24/22/50/552242250.db2.gz YZAVWQXWIXVQOE-RPBOFIJWSA-N 0 3 574.106 5.198 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003062089 552282979 /nfs/dbraw/zinc/28/29/79/552282979.db2.gz GBRPCHCOSOSQEP-STKMKYKTSA-N 0 3 577.725 6.900 50 0 KKAAHN CC(C)CN(CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O)CC(C)C ZINC000003062410 552283212 /nfs/dbraw/zinc/28/32/12/552283212.db2.gz AGFKDZDTUFKBTJ-UHFFFAOYSA-N 0 3 582.166 5.677 50 0 KKAAHN CCOc1ccc(/C=C/C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1OC ZINC000003646109 552401712 /nfs/dbraw/zinc/40/17/12/552401712.db2.gz CCOYXUQUHGMTEG-GZTJUZNOSA-N 0 3 553.659 6.934 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@H](CC[C@H](CN(CC)CC)C(=O)c2ccc(OCCCC)cc2)CN(CC)CC)cc1 ZINC000006480904 552593708 /nfs/dbraw/zinc/59/37/08/552593708.db2.gz QUZFUSBGTMHCMG-ROJLCIKYSA-N 0 3 580.854 7.806 50 0 KKAAHN O=C(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000008385616 552991090 /nfs/dbraw/zinc/99/10/90/552991090.db2.gz PBFCVRVFRZFVES-PSXMRANNSA-N 0 3 544.764 7.876 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000008396639 552995516 /nfs/dbraw/zinc/99/55/16/552995516.db2.gz BTCNXYNOSGRPDI-HNRBIFIRSA-N 0 3 524.746 6.246 50 0 KKAAHN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454575 553069316 /nfs/dbraw/zinc/06/93/16/553069316.db2.gz FFKCDBDXHGVPGQ-RTCIJLJMSA-N 0 3 626.949 6.686 50 0 KKAAHN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000008597500 553093276 /nfs/dbraw/zinc/09/32/76/553093276.db2.gz YJALSEIZUVMCKW-UHFFFAOYSA-N 0 3 570.565 5.497 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cnn2-c2cccc(F)c2)CC1 ZINC000008597961 553094711 /nfs/dbraw/zinc/09/47/11/553094711.db2.gz MQJXNZZEAUBJMF-UHFFFAOYSA-N 0 3 561.702 5.520 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000008696041 553125557 /nfs/dbraw/zinc/12/55/57/553125557.db2.gz XVKPUBUOGCGNQE-CYEXUTLASA-N 0 3 605.827 6.804 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000008696047 553125588 /nfs/dbraw/zinc/12/55/88/553125588.db2.gz UBUUVUDADUWAJX-ONEAXSQQSA-N 0 3 621.870 6.579 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000008749392 553134938 /nfs/dbraw/zinc/13/49/38/553134938.db2.gz XPSUQOOIMPKGHI-ANHUGMMASA-N 0 3 610.774 6.886 50 0 KKAAHN COc1ccccc1OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccco1 ZINC000008770287 553140739 /nfs/dbraw/zinc/14/07/39/553140739.db2.gz ANXOHPUNPZVDSR-XMMPIXPASA-N 0 3 506.522 5.085 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008913755 553185519 /nfs/dbraw/zinc/18/55/19/553185519.db2.gz OYODENPBMNAAEW-DEOSSOPVSA-N 0 3 503.647 5.125 50 0 KKAAHN CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN(CC)CC)cc1OCC ZINC000009043500 553202910 /nfs/dbraw/zinc/20/29/10/553202910.db2.gz YAWFXTKEAKVJQG-RUZDIDTESA-N 0 3 512.691 5.292 50 0 biogenic KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009164715 553215697 /nfs/dbraw/zinc/21/56/97/553215697.db2.gz NYKMAHGDJZOFFH-OAQYLSRUSA-N 0 3 506.391 5.795 50 0 KKAAHN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4ccco4)nc3c21 ZINC000009451582 553265986 /nfs/dbraw/zinc/26/59/86/553265986.db2.gz OAWGCQZOHDLOLJ-QFIPXVFZSA-N 0 3 510.941 5.826 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4c(C)cccc4C)nn3cnc1O2 ZINC000009453544 553266204 /nfs/dbraw/zinc/26/62/04/553266204.db2.gz SPJQJISZFPOSAL-DEOSSOPVSA-N 0 3 504.550 5.693 50 0 KKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009463574 553269190 /nfs/dbraw/zinc/26/91/90/553269190.db2.gz HWVSCFRMVDRTPK-SQRAXXTESA-N 0 3 511.021 5.928 50 0 KKAAHN Cc1nn(-c2ccc(Cl)cc2)c2c1C(c1ccco1)c1c3nc(COc4ccccc4)nn3cnc1O2 ZINC000009488246 553273056 /nfs/dbraw/zinc/27/30/56/553273056.db2.gz FIGFYZCVTCGYJB-QHCPKHFHSA-N 0 3 510.941 5.730 50 0 KKAAHN CN(C)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009581941 553282359 /nfs/dbraw/zinc/28/23/59/553282359.db2.gz XGRIWTBEZBBMPY-HHHXNRCGSA-N 0 3 521.448 5.365 50 0 KKAAHN CCOc1ccc(CN2c3cc(C(=O)NCCN4CCCC[C@@H]4C)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678495 553295630 /nfs/dbraw/zinc/29/56/30/553295630.db2.gz VQEQGQVUOIRMSH-QFIPXVFZSA-N 0 3 529.706 6.001 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678433 553295649 /nfs/dbraw/zinc/29/56/49/553295649.db2.gz CFHYUWWCZCVLLA-LJQANCHMSA-N 0 3 524.061 6.005 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)cc1 ZINC000009857859 553313780 /nfs/dbraw/zinc/31/37/80/553313780.db2.gz KJKYZOJOYBHPNK-KYJUHHDHSA-N 0 3 529.750 6.022 50 0 KKAAHN Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2ccc(CN(C)Cc3cccc4ncccc34)cc2)cc1 ZINC000012156796 553352926 /nfs/dbraw/zinc/35/29/26/553352926.db2.gz KSUVYWWDWQLDER-LJAQVGFWSA-N 0 3 507.678 6.639 50 0 KKAAHN Cc1nc(CC(=O)N2CCC(Oc3ccc(CN(C)Cc4cc5ccccc5s4)cc3)CC2)cs1 ZINC000012203586 553354032 /nfs/dbraw/zinc/35/40/32/553354032.db2.gz UTGMDEJTVVDBED-UHFFFAOYSA-N 0 3 505.709 5.911 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013787936 553491024 /nfs/dbraw/zinc/49/10/24/553491024.db2.gz HEMZGEPJUBCQCC-NJDAHSKKSA-N 0 3 501.739 5.293 50 0 KKAAHN CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)CN1C1C2CC3CC(C2)CC1C3 ZINC000014879742 553520768 /nfs/dbraw/zinc/52/07/68/553520768.db2.gz DCESEFPOBRFPIP-CCACEFRTSA-N 0 3 518.752 5.710 50 0 KKAAHN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1 ZINC000014976008 553523289 /nfs/dbraw/zinc/52/32/89/553523289.db2.gz GMPNYXMBQXJTTB-HHHXNRCGSA-N 0 3 500.658 6.065 50 0 KKAAHN COc1cc2c(cc1CN1CCC(c3nnc(SC[C@@H]4CCCO4)n3C)CC1)oc(C)c2-c1ccccc1 ZINC000015071110 553527360 /nfs/dbraw/zinc/52/73/60/553527360.db2.gz QTXMWCWTRUFKFU-DEOSSOPVSA-N 0 3 532.710 6.196 50 0 KKAAHN Cc1ccc(C(=O)N2CCN(CCOc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)cc1 ZINC000015069512 553527413 /nfs/dbraw/zinc/52/74/13/553527413.db2.gz YJJLICWVZDLJKA-UHFFFAOYSA-N 0 3 508.666 5.012 50 0 KKAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319714 553531815 /nfs/dbraw/zinc/53/18/15/553531815.db2.gz SMXGJCRSRYGRBF-KFCNMZSLSA-N 0 3 531.598 5.409 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@@]3(C)C2=O)cc1Cl ZINC000015320581 553531928 /nfs/dbraw/zinc/53/19/28/553531928.db2.gz SGTAIIVFUJOSCB-WRALFONMSA-N 0 3 511.803 5.852 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000018045889 553602012 /nfs/dbraw/zinc/60/20/12/553602012.db2.gz TWXMRUSISZIMHZ-BDTNDASRSA-N 0 3 513.775 5.162 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018063064 553602825 /nfs/dbraw/zinc/60/28/25/553602825.db2.gz SXWCNTMBKSVPGS-PFBJBMPXSA-N 0 3 504.558 5.454 50 0 KKAAHN CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CCN(Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070699076 553615552 /nfs/dbraw/zinc/61/55/52/553615552.db2.gz NPTNXTMTIFUQIQ-WLMPYFOXSA-N 0 3 606.767 5.661 50 0 biogenic KKAAHN O=C(Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000019913580 553633499 /nfs/dbraw/zinc/63/34/99/553633499.db2.gz JHDRQJJHJOIMHX-UHFFFAOYSA-N 0 3 521.064 6.985 50 0 KKAAHN Oc1ccccc1[C@@H](CCN1CCN(CC[C@@H](c2ccccc2)c2ccccc2O)CC1)c1ccccc1 ZINC000020332695 553639757 /nfs/dbraw/zinc/63/97/57/553639757.db2.gz OWMUFVWZUGNZTR-KYJUHHDHSA-N 0 3 506.690 6.460 50 0 KKAAHN O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020405898 553646076 /nfs/dbraw/zinc/64/60/76/553646076.db2.gz XCXCTADEDYBQGZ-WIABGLAMSA-N 0 3 512.997 5.094 50 0 KKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412842 553647432 /nfs/dbraw/zinc/64/74/32/553647432.db2.gz GCGDEQDQFMMORL-ZZAICPEHSA-N 0 3 519.129 6.361 50 0 biogenic KKAAHN COc1ccc(CCN2C(=O)C(CC(=O)Nc3cccc(C(F)(F)F)c3)n3c4ccccc4nc32)cc1 ZINC000019962217 553648988 /nfs/dbraw/zinc/64/89/88/553648988.db2.gz YRKBNCOWJLVZMJ-HSZRJFAPSA-N 0 3 508.500 5.223 50 0 KKAAHN CC[C@H](C)N(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000020508494 553667962 /nfs/dbraw/zinc/66/79/62/553667962.db2.gz FJAIBEYEPBUOIH-QLCOJLISSA-N 0 3 521.727 6.085 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)cc2)CC1 ZINC000020508487 553668065 /nfs/dbraw/zinc/66/80/65/553668065.db2.gz XOMYJDZULCAASN-WDYNHAJCSA-N 0 3 530.738 5.461 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000085888969 553690345 /nfs/dbraw/zinc/69/03/45/553690345.db2.gz WSLYRMOORJFTQF-PMERELPUSA-N 0 3 727.291 8.857 50 0 biogenic KKAAHN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000020728021 553690953 /nfs/dbraw/zinc/69/09/53/553690953.db2.gz VBIBFALOLBVVBB-ANYBSYGZSA-N 0 3 529.681 5.376 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C ZINC000085977445 553692528 /nfs/dbraw/zinc/69/25/28/553692528.db2.gz QAFGBLDGRLFICB-FQLXRVMXSA-N 0 3 638.761 6.868 50 0 KKAAHN COc1cccc(/C=C2/Sc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000020734416 553693272 /nfs/dbraw/zinc/69/32/72/553693272.db2.gz RQSYQCPHAFCNSX-MTDXEUNCSA-N 0 3 513.663 5.199 50 0 KKAAHN O[C@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790579 553698098 /nfs/dbraw/zinc/69/80/98/553698098.db2.gz GJHFZSLUXJCFOI-CLJLJLNGSA-N 0 3 531.700 5.337 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CCN1CCN(Cc2ccccc2)CC1 ZINC000020790244 553698113 /nfs/dbraw/zinc/69/81/13/553698113.db2.gz KJRGEHFACVOZQK-YTTGMZPUSA-N 0 3 529.728 6.853 50 0 KKAAHN O[C@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790587 553698150 /nfs/dbraw/zinc/69/81/50/553698150.db2.gz GJHFZSLUXJCFOI-FTJBHMTQSA-N 0 3 531.700 5.337 50 0 KKAAHN O=C1c2cccc3cccc(c32)C(=O)N1CCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020841530 553699145 /nfs/dbraw/zinc/69/91/45/553699145.db2.gz IMXQLWAJNZCCMX-UHFFFAOYSA-N 0 3 503.646 5.623 50 0 KKAAHN CN(CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)Cc1ccccc1 ZINC000021162333 553708583 /nfs/dbraw/zinc/70/85/83/553708583.db2.gz DVMWXUAACHLPDG-UHFFFAOYSA-N 0 3 513.661 5.078 50 0 KKAAHN CCCOc1ccc(C(=O)[C@@H](C[C@@H](CN2CCCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCCC2)cc1 ZINC000095721534 553710146 /nfs/dbraw/zinc/71/01/46/553710146.db2.gz FKQODEXMCHSCOS-LQJZCPKCSA-N 0 3 590.849 7.704 50 0 KKAAHN Fc1ccc(C(CCCN2CC=C(Oc3ccc(OCc4ccccc4)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000095918160 553715076 /nfs/dbraw/zinc/71/50/76/553715076.db2.gz BUDCFLZNBYSVAV-UHFFFAOYSA-N 0 3 525.639 8.125 50 0 KKAAHN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c23)C1 ZINC000096021839 553717945 /nfs/dbraw/zinc/71/79/45/553717945.db2.gz GTESPTSWVAZWLZ-DEOSSOPVSA-N 0 3 553.776 5.560 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc(Cn2c(Cc3ccccc3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000096288632 553740576 /nfs/dbraw/zinc/74/05/76/553740576.db2.gz HBAKTHMRJZMJJJ-UHFFFAOYSA-N 0 3 507.465 5.808 50 0 KKAAHN Cc1ccc(-c2nc3ccc(-c4cc5ccccc5s4)cn3c2CCC(=O)NCCN2CCCC2)cc1 ZINC000096294433 553747803 /nfs/dbraw/zinc/74/78/03/553747803.db2.gz BZAQPXAXRCHJTF-UHFFFAOYSA-N 0 3 508.691 6.336 50 0 KKAAHN Oc1ccccc1[C@H](CCN1CCN(CC[C@@H](c2ccccc2)c2ccccc2O)CC1)c1ccccc1 ZINC000022780349 553749995 /nfs/dbraw/zinc/74/99/95/553749995.db2.gz OWMUFVWZUGNZTR-RNPORBBMSA-N 0 3 506.690 6.460 50 0 KKAAHN O[C@@H](Cn1c2c(ccc3ccccc23)c(-c2ccccc2)c1-c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000022790417 553750228 /nfs/dbraw/zinc/75/02/28/553750228.db2.gz ZTFQXYHIJMSPAI-MGBGTMOVSA-N 0 3 551.734 7.307 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000022790498 553750734 /nfs/dbraw/zinc/75/07/34/553750734.db2.gz HZGVYCKFXUCJKR-BSBODGDASA-N 0 3 583.368 6.011 50 0 KKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000025578154 553811141 /nfs/dbraw/zinc/81/11/41/553811141.db2.gz MCBGWELZRDYLET-NRFANRHFSA-N 0 3 509.275 6.502 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000097952574 553816697 /nfs/dbraw/zinc/81/66/97/553816697.db2.gz WCOFXYXKDHFUEJ-QHAWAJNXSA-N 0 3 518.194 5.807 50 0 KKAAHN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027586311 553835505 /nfs/dbraw/zinc/83/55/05/553835505.db2.gz CKFGAUAEGSTIPH-UHFFFAOYSA-N 0 3 503.650 5.933 50 0 KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4 ZINC000030726949 553855640 /nfs/dbraw/zinc/85/56/40/553855640.db2.gz DFOCUWZXJBAUSQ-FQLXRVMXSA-N 0 3 608.735 6.859 50 0 in-vitro KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963591 553892073 /nfs/dbraw/zinc/89/20/73/553892073.db2.gz DIEHJVXOONBPNV-UHFFFAOYSA-N 0 3 577.813 5.639 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2Cl)cc1 ZINC000033252321 553913908 /nfs/dbraw/zinc/91/39/08/553913908.db2.gz SUVDSQVMHIWOEW-UHFFFAOYSA-N 0 3 506.075 5.251 50 0 KKAAHN COc1ccc(-n2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000033355771 553936872 /nfs/dbraw/zinc/93/68/72/553936872.db2.gz RJTHNGWTFDMXIM-UHFFFAOYSA-N 0 3 573.738 5.390 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1 ZINC000033356052 553938587 /nfs/dbraw/zinc/93/85/87/553938587.db2.gz WDGKYWQGTQMMMO-UHFFFAOYSA-N 0 3 593.127 5.308 50 0 KKAAHN COc1cc(NC(=O)CCC(=O)C(Cc2nc(-c3ccc(C)cc3)no2)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC ZINC000033356856 553945105 /nfs/dbraw/zinc/94/51/05/553945105.db2.gz AREDBCWCWXSVKY-DEOSSOPVSA-N 0 3 611.655 5.744 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000033357222 553947418 /nfs/dbraw/zinc/94/74/18/553947418.db2.gz JFOOZQIJNIJCOW-VMPREFPWSA-N 0 3 638.761 6.829 50 0 biogenic KKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671834 553982657 /nfs/dbraw/zinc/98/26/57/553982657.db2.gz SJICJDFQSJIVDR-BNHRFMORSA-N 0 3 508.637 6.366 50 0 KKAAHN COc1ccc(N(C(=O)c2ccccc2OC)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1OC ZINC000034682879 553985557 /nfs/dbraw/zinc/98/55/57/553985557.db2.gz CSAJEQXXLVDTFY-UHFFFAOYSA-N 0 3 528.571 6.043 50 0 KKAAHN COc1ccc(CN(C[C@@H](Oc2ccc(F)cc2)C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000034697101 553991195 /nfs/dbraw/zinc/99/11/95/553991195.db2.gz FMRDMGHVPJEUGY-MUUNZHRXSA-N 0 3 526.605 5.157 50 0 KKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699118 553992051 /nfs/dbraw/zinc/99/20/51/553992051.db2.gz CNTXCCWOMMLYHD-KCWPFWIISA-N 0 3 516.579 6.760 50 0 KKAAHN COc1ccc([C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699361 553992715 /nfs/dbraw/zinc/99/27/15/553992715.db2.gz YIPQTEYEQKRBKX-SHQCIBLASA-N 0 3 514.563 6.117 50 0 KKAAHN Cc1cc([C@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716781 553995640 /nfs/dbraw/zinc/99/56/40/553995640.db2.gz QOWNPVISDLPHGN-NSOVKSMOSA-N 0 3 503.637 5.223 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 ZINC000034723968 553996497 /nfs/dbraw/zinc/99/64/97/553996497.db2.gz FSBFNDYYSPDMJP-UHFFFAOYSA-N 0 3 519.089 5.267 50 0 KKAAHN O=C(CCN1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034830073 554014348 /nfs/dbraw/zinc/01/43/48/554014348.db2.gz JYPNYUVXDPUTTN-MHZLTWQESA-N 0 3 508.087 5.114 50 0 KKAAHN CC[C@@H](C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830209 554014769 /nfs/dbraw/zinc/01/47/69/554014769.db2.gz KJVJFTYMPTXSBF-RNAHPLFWSA-N 0 3 515.723 5.259 50 0 KKAAHN Cc1ccc(C(=O)N2CCCN(C(=O)CCN3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034830233 554014897 /nfs/dbraw/zinc/01/48/97/554014897.db2.gz FXLFMUCVTSVBQR-GDLZYMKVSA-N 0 3 501.696 5.077 50 0 KKAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034830256 554015294 /nfs/dbraw/zinc/01/52/94/554015294.db2.gz ZRLFWKYXLLYDCH-LYZGTLIUSA-N 0 3 522.114 5.421 50 0 KKAAHN COc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000034832965 554018320 /nfs/dbraw/zinc/01/83/20/554018320.db2.gz LLGVLEYUYWHLFA-UHFFFAOYSA-N 0 3 531.660 5.775 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCCN1CCCC1 ZINC000035471944 554056325 /nfs/dbraw/zinc/05/63/25/554056325.db2.gz ODZSWPJPXMVVBV-HHHXNRCGSA-N 0 3 504.049 6.216 50 0 KKAAHN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005136 554057182 /nfs/dbraw/zinc/05/71/82/554057182.db2.gz UADHIWRARGSSJD-UHFFFAOYSA-N 0 3 532.060 5.473 50 0 KKAAHN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3n2)cc1 ZINC000098005995 554060235 /nfs/dbraw/zinc/06/02/35/554060235.db2.gz FQFGVFBAQWMFLS-UHFFFAOYSA-N 0 3 539.602 5.150 50 0 KKAAHN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005993 554060276 /nfs/dbraw/zinc/06/02/76/554060276.db2.gz KMHYZAIQYYMDLL-BCTPLOOPSA-N 0 3 543.634 5.279 50 0 KKAAHN O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098006302 554061043 /nfs/dbraw/zinc/06/10/43/554061043.db2.gz NBCCFNSLZHUQMC-UHFFFAOYSA-N 0 3 535.614 5.240 50 0 KKAAHN COc1ccc(OC[C@H](O)CN(Cc2cccn2Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)cc1 ZINC000035840647 554080417 /nfs/dbraw/zinc/08/04/17/554080417.db2.gz CIJLPTXUZLNAFG-GDLZYMKVSA-N 0 3 504.715 6.417 50 0 KKAAHN Cn1cc([C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000035891745 554090930 /nfs/dbraw/zinc/09/09/30/554090930.db2.gz TUQIKDLLJBALHE-MHZLTWQESA-N 0 3 519.611 6.500 50 0 KKAAHN CN(C)CCNC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000098015067 554095576 /nfs/dbraw/zinc/09/55/76/554095576.db2.gz SYHZMKZDLYDAKJ-UHFFFAOYSA-N 0 3 570.738 5.193 50 0 KKAAHN Cc1cccc(OCc2nc(CN(CCN3CCCC3)C(=O)c3cccc(Br)c3)cs2)c1C ZINC000036031724 554145187 /nfs/dbraw/zinc/14/51/87/554145187.db2.gz CVQMSQJYXNHPHN-UHFFFAOYSA-N 0 3 528.516 5.840 50 0 KKAAHN FC(F)(F)c1cc(NC(=S)Nc2ccc(Br)cc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC000098052692 554176338 /nfs/dbraw/zinc/17/63/38/554176338.db2.gz MDKAFDIKYQMOMF-UHFFFAOYSA-N 0 3 511.249 5.476 50 0 in-vitro KKAAHN Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1CN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036301901 554211913 /nfs/dbraw/zinc/21/19/13/554211913.db2.gz RLQAOBIKYFYYJR-MHZLTWQESA-N 0 3 502.058 6.442 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@H](O)COCC(C)C ZINC000036303973 554213810 /nfs/dbraw/zinc/21/38/10/554213810.db2.gz QIYCJSKFJZHTPJ-DEOSSOPVSA-N 0 3 501.618 5.743 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036303585 554213900 /nfs/dbraw/zinc/21/39/00/554213900.db2.gz XSYUWKVVUQOOHB-AREMUKBSSA-N 0 3 502.058 6.442 50 0 KKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036307641 554216140 /nfs/dbraw/zinc/21/61/40/554216140.db2.gz CPGBYFWCJTYAOY-SANMLTNESA-N 0 3 503.618 5.808 50 0 KKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(COc2ccc(I)cc2)o1 ZINC000036611127 554225459 /nfs/dbraw/zinc/22/54/59/554225459.db2.gz WDIXCVTWVAOIPV-UHFFFAOYSA-N 0 3 516.379 5.701 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(C(F)(F)F)cc1)NCCN1CCCC1 ZINC000037380616 554237485 /nfs/dbraw/zinc/23/74/85/554237485.db2.gz JWJJCVTWHFUVEQ-MHZLTWQESA-N 0 3 519.611 6.442 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(OC)cc2s1 ZINC000038144539 554266193 /nfs/dbraw/zinc/26/61/93/554266193.db2.gz PJJMTUGHZOQNNT-UHFFFAOYSA-N 0 3 558.770 5.247 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C ZINC000044281335 554301529 /nfs/dbraw/zinc/30/15/29/554301529.db2.gz QAFGBLDGRLFICB-VMPREFPWSA-N 0 3 638.761 6.868 50 0 biogenic KKAAHN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000044838462 554303901 /nfs/dbraw/zinc/30/39/01/554303901.db2.gz HHGMRAORMASLGF-UHFFFAOYSA-N 0 3 501.428 5.387 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@@H]([C@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329625 554311810 /nfs/dbraw/zinc/31/18/10/554311810.db2.gz SFFJARIKISDPGV-MUFAAYGBSA-N 0 3 534.660 5.738 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)[C@@H]([C@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329629 554311831 /nfs/dbraw/zinc/31/18/31/554311831.db2.gz SFFJARIKISDPGV-CFNXAKABSA-N 0 3 534.660 5.738 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@H]([C@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329619 554311897 /nfs/dbraw/zinc/31/18/97/554311897.db2.gz SFFJARIKISDPGV-SACWQSLWSA-N 0 3 534.660 5.738 50 0 KKAAHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000055760827 554351032 /nfs/dbraw/zinc/35/10/32/554351032.db2.gz QQWUGDVOUVUTOY-UHFFFAOYSA-N 0 3 614.216 5.024 50 0 in-vivo KKAAHN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000057251255 554353429 /nfs/dbraw/zinc/35/34/29/554353429.db2.gz SOUBSWFNVWYCRZ-UHFFFAOYSA-N 0 3 502.684 5.315 50 0 KKAAHN c1ccc(C(NCCOCCOCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000100729252 554459022 /nfs/dbraw/zinc/45/90/22/554459022.db2.gz IJRHQBAXGORRJF-UHFFFAOYSA-N 0 3 632.848 8.183 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1nc2ccc(Cl)cc2s1 ZINC000060209798 554503649 /nfs/dbraw/zinc/50/36/49/554503649.db2.gz XNTLKJXMZUMQRY-UHFFFAOYSA-N 0 3 571.168 6.154 50 0 KKAAHN CCCCOc1ccc([C@](O)(CCCC)[C@H](CN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 ZINC000063515018 554509758 /nfs/dbraw/zinc/50/97/58/554509758.db2.gz KEVZOGUKXGKGJX-CZNDPXEESA-N 0 3 518.717 6.988 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000064261563 554510699 /nfs/dbraw/zinc/51/06/99/554510699.db2.gz HZGVYCKFXUCJKR-YUAYSCSESA-N 0 3 583.368 6.011 50 0 KKAAHN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(Cc4ccc(C(F)(F)F)cc4)CC3)n2)cc1 ZINC000100901502 554514701 /nfs/dbraw/zinc/51/47/01/554514701.db2.gz PCMHPBPQXXZIHL-UHFFFAOYSA-N 0 3 556.636 6.446 50 0 KKAAHN c1ccc(COC[C@H]2NC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000064859406 554518781 /nfs/dbraw/zinc/51/87/81/554518781.db2.gz HHIIDKLQTCPFQA-KMKAFXEASA-N 0 3 523.673 5.931 50 0 in-vitro KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101064638 554572730 /nfs/dbraw/zinc/57/27/30/554572730.db2.gz KYYFKOQRQJVVSI-MFUXGYHDSA-N 0 3 581.491 6.367 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101075943 554577387 /nfs/dbraw/zinc/57/73/87/554577387.db2.gz BOSBRCJAAOCVFI-DSNGMDLFSA-N 0 3 584.253 7.067 50 0 KKAAHN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000101097693 554584924 /nfs/dbraw/zinc/58/49/24/554584924.db2.gz DRODPMXUIYNOSH-XHLNEMQHSA-N 0 3 574.519 5.287 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101115470 554642802 /nfs/dbraw/zinc/64/28/02/554642802.db2.gz FGYBWTFVCYLGRF-PFBJBMPXSA-N 0 3 524.960 5.610 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101130027 554649172 /nfs/dbraw/zinc/64/91/72/554649172.db2.gz UUZJMAIIODEPQS-FCEKVYKBSA-N 0 3 538.531 5.105 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000101181525 554667064 /nfs/dbraw/zinc/66/70/64/554667064.db2.gz UZAVEVBWGKVKHW-WFPUBZAHSA-N 0 3 544.582 5.690 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3nc3c2CCCC3)cc1OC ZINC000101193512 554671600 /nfs/dbraw/zinc/67/16/00/554671600.db2.gz NOLXMZBBJAIESJ-UHFFFAOYSA-N 0 3 552.458 7.199 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000101206168 554676037 /nfs/dbraw/zinc/67/60/37/554676037.db2.gz WQAQLDOMJVZVAW-QODLHPCFSA-N 0 3 516.622 5.913 50 0 KKAAHN Cc1cc(N2CCN(Cc3c(C)ccc4ccccc43)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000101248989 554693834 /nfs/dbraw/zinc/69/38/34/554693834.db2.gz TXJZTKVNHCTOAN-UHFFFAOYSA-N 0 3 533.573 6.646 50 0 KKAAHN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCN3CCC(C)CC3)C2=S)cc1Cl ZINC000101254203 554694697 /nfs/dbraw/zinc/69/46/97/554694697.db2.gz RLMRHZGBIQIDEH-QFIPXVFZSA-N 0 3 549.524 5.065 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386118 554751292 /nfs/dbraw/zinc/75/12/92/554751292.db2.gz BHRDUEIPRGSBCH-CPBHLAHYSA-N 0 3 595.788 6.397 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386194 554751490 /nfs/dbraw/zinc/75/14/90/554751490.db2.gz LINHNLOWQAVSJX-WJVKJDHCSA-N 0 3 640.800 6.894 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000101386225 554751504 /nfs/dbraw/zinc/75/15/04/554751504.db2.gz XAPJFJSMPHQWMJ-DYKQPOOOSA-N 0 3 647.864 6.575 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386217 554751514 /nfs/dbraw/zinc/75/15/14/554751514.db2.gz WSBIQQVSWDVMMP-MFACQUFMSA-N 0 3 604.839 7.663 50 0 KKAAHN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000101492881 554786369 /nfs/dbraw/zinc/78/63/69/554786369.db2.gz PDUKGMFFDLBBAP-FMIVXFBMSA-N 0 3 594.753 5.030 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101637688 554813704 /nfs/dbraw/zinc/81/37/04/554813704.db2.gz WJFUKFORLFMURE-UHFFFAOYSA-N 0 3 600.140 5.728 50 0 KKAAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)c1c(F)ccc(F)c1Cl ZINC000101661583 554821838 /nfs/dbraw/zinc/82/18/38/554821838.db2.gz AIKZMIRYDJVQOT-UHFFFAOYSA-N 0 3 562.970 6.735 50 0 KKAAHN CCOCCCNC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101772149 554837648 /nfs/dbraw/zinc/83/76/48/554837648.db2.gz FDCLTQJSGAKQFO-LITSAYRRSA-N 0 3 560.705 5.041 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000101787210 554838797 /nfs/dbraw/zinc/83/87/97/554838797.db2.gz RVTBAOWWGQDZFJ-UHFFFAOYSA-N 0 3 555.744 6.054 50 0 KKAAHN COc1ccc(NC(=O)CC[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102079416 554875751 /nfs/dbraw/zinc/87/57/51/554875751.db2.gz DIQQJXVCHIVYIY-SETSBSEESA-N 0 3 565.133 5.919 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000102102970 554882022 /nfs/dbraw/zinc/88/20/22/554882022.db2.gz BEUCYLDGULLRKH-HKBQPEDESA-N 0 3 569.790 6.435 50 0 KKAAHN Cc1ccccc1OC[C@@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000102102988 554882081 /nfs/dbraw/zinc/88/20/81/554882081.db2.gz QKIXGMXKLACKEF-YTTGMZPUSA-N 0 3 583.817 6.743 50 0 KKAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102530558 554953556 /nfs/dbraw/zinc/95/35/56/554953556.db2.gz MHKOVORKDBZYRI-SSEXGKCCSA-N 0 3 590.746 5.014 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102548909 554960547 /nfs/dbraw/zinc/96/05/47/554960547.db2.gz GHMKCJIKFYKHBK-CLWMVSBGSA-N 0 3 576.674 6.012 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102560539 554967555 /nfs/dbraw/zinc/96/75/55/554967555.db2.gz CXTVRUVNZZWPLP-GMTSZFNJSA-N 0 3 570.645 6.869 50 0 KKAAHN CN(Cc1ccccc1)C(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102633565 554990237 /nfs/dbraw/zinc/99/02/37/554990237.db2.gz RKWQSKVIAVYPST-QCENPCRXSA-N 0 3 579.711 5.552 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102738097 555026918 /nfs/dbraw/zinc/02/69/18/555026918.db2.gz JPHYZFCYTPLGCN-ZONZVBGPSA-N 0 3 524.960 5.610 50 0 KKAAHN COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000102745020 555036717 /nfs/dbraw/zinc/03/67/17/555036717.db2.gz ILVCQAXIJWUZNV-FKBYEOEOSA-N 0 3 575.246 5.024 50 0 KKAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC3CCN(Cc4ccccc4)CC3)N2[C@@H]1c1ccccc1F ZINC000102745414 555037205 /nfs/dbraw/zinc/03/72/05/555037205.db2.gz DLOIDXSKXKXMNZ-MUUNZHRXSA-N 0 3 548.684 5.135 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)c1 ZINC000102748253 555042417 /nfs/dbraw/zinc/04/24/17/555042417.db2.gz VCKRTHALUFDKKU-KKUQBAQOSA-N 0 3 519.384 6.613 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102749596 555043649 /nfs/dbraw/zinc/04/36/49/555043649.db2.gz DYRVIGRDKPJWKJ-UPRLRBBYSA-N 0 3 545.422 6.624 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000102750380 555044013 /nfs/dbraw/zinc/04/40/13/555044013.db2.gz IPYLSQHNZKETOM-IDZRBWSNSA-N 0 3 548.595 5.746 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000102752004 555044816 /nfs/dbraw/zinc/04/48/16/555044816.db2.gz XVOPXTZPMAYANC-OZNIXHKMSA-N 0 3 504.542 5.265 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102754039 555046138 /nfs/dbraw/zinc/04/61/38/555046138.db2.gz AZTWLJFHYAFNLG-ZONZVBGPSA-N 0 3 524.960 5.610 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102757407 555049991 /nfs/dbraw/zinc/04/99/91/555049991.db2.gz BDMBIHLTYMNYJJ-PCCBWWKXSA-N 0 3 508.188 6.351 50 0 KKAAHN CN(CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)CCc1ccccc1 ZINC000102766765 555055525 /nfs/dbraw/zinc/05/55/25/555055525.db2.gz QRFAKLSAJOANHL-XHPQRKPJSA-N 0 3 539.623 5.476 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000102768341 555056149 /nfs/dbraw/zinc/05/61/49/555056149.db2.gz YXZMETQFKGFUTE-TZRRMPRUSA-N 0 3 507.384 5.289 50 0 KKAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000102791030 555069057 /nfs/dbraw/zinc/06/90/57/555069057.db2.gz MYLCLFMPNCXGKA-VAMRJTSQSA-N 0 3 554.760 5.432 50 0 KKAAHN O=C(CCN1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839128 555080455 /nfs/dbraw/zinc/08/04/55/555080455.db2.gz LAKSICSFVMZEAB-AREMUKBSSA-N 0 3 528.505 5.377 50 0 KKAAHN O=C(CCN1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839182 555080712 /nfs/dbraw/zinc/08/07/12/555080712.db2.gz FMVBMVQXNSQGMM-HHHXNRCGSA-N 0 3 542.532 5.767 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C1=O)CCCC2 ZINC000102860563 555090563 /nfs/dbraw/zinc/09/05/63/555090563.db2.gz NYWSEYZHPZROSX-XPWALMASSA-N 0 3 591.900 6.425 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(OC)cc4OC)[C@H]3C1=O)CCCC2 ZINC000102861389 555091611 /nfs/dbraw/zinc/09/16/11/555091611.db2.gz RFRBKAHNUSAJDB-DSNGMDLFSA-N 0 3 583.062 5.135 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4ccccc4)[C@H]3C1=O)CCCC2 ZINC000102863189 555092870 /nfs/dbraw/zinc/09/28/70/555092870.db2.gz QFYQOZHFIRBPAQ-DSNGMDLFSA-N 0 3 516.619 5.163 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000102863913 555093629 /nfs/dbraw/zinc/09/36/29/555093629.db2.gz LYACREYTWOSDBD-RJGXRXQPSA-N 0 3 525.026 5.555 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102866967 555096340 /nfs/dbraw/zinc/09/63/40/555096340.db2.gz DEWWSCGSCXXTIC-IARZGTGTSA-N 0 3 589.431 6.272 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(I)cc1 ZINC000102868339 555097908 /nfs/dbraw/zinc/09/79/08/555097908.db2.gz QCWDHMZAYZRCDK-NJDAHSKKSA-N 0 3 575.200 5.105 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102889230 555123078 /nfs/dbraw/zinc/12/30/78/555123078.db2.gz UKRDWDBPEWEPTA-ZONZVBGPSA-N 0 3 561.015 5.159 50 0 KKAAHN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000102909621 555142517 /nfs/dbraw/zinc/14/25/17/555142517.db2.gz ZUPYTLZMYSMXSB-SSEXGKCCSA-N 0 3 538.091 6.791 50 0 KKAAHN O=C1C2ON(c3cccc(Br)c3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000103025161 555215503 /nfs/dbraw/zinc/21/55/03/555215503.db2.gz DWQJRWLAKZVBOH-NJDAHSKKSA-N 0 3 551.746 6.172 50 0 KKAAHN CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(CCN(C)C)Cc3ccccc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000103252362 555344568 /nfs/dbraw/zinc/34/45/68/555344568.db2.gz DAHQMVXFKNDONZ-QIKUIUABSA-N 0 3 623.798 5.667 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000103307706 555356745 /nfs/dbraw/zinc/35/67/45/555356745.db2.gz VUARGQBECUHKAN-UHFFFAOYSA-N 0 3 563.540 5.376 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)NCCN1CCCC1 ZINC000103420773 555401389 /nfs/dbraw/zinc/40/13/89/555401389.db2.gz IMLBZPJYUUDNNW-XIFFEERXSA-N 0 3 543.711 7.216 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103529334 555429895 /nfs/dbraw/zinc/42/98/95/555429895.db2.gz GGJSBAVHTXLFCL-MFUXGYHDSA-N 0 3 537.040 6.258 50 0 KKAAHN Cc1ccc(C(=O)N(C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000105041297 571390188 /nfs/dbraw/zinc/39/01/88/571390188.db2.gz AVKSALOHMDYIGJ-NAKRPHOHSA-N 0 3 512.591 6.919 50 0 KKAAHN O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000105791402 571408609 /nfs/dbraw/zinc/40/86/09/571408609.db2.gz HYVPREUZPFQWON-QHAWAJNXSA-N 0 3 582.863 5.366 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105795226 571408706 /nfs/dbraw/zinc/40/87/06/571408706.db2.gz UISUCNIPNWDEOI-CKOYEXALSA-N 0 3 570.645 6.869 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000105796136 571408755 /nfs/dbraw/zinc/40/87/55/571408755.db2.gz AJACMJRKDCTOFA-TWJOJJKGSA-N 0 3 551.437 5.688 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCCCC)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000105990293 571410082 /nfs/dbraw/zinc/41/00/82/571410082.db2.gz SMGNYNJBBTYXOB-JFHPUIQFSA-N 0 3 558.675 6.494 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106014400 571410359 /nfs/dbraw/zinc/41/03/59/571410359.db2.gz XDLGDMKLZCIDCX-MPFGFTFXSA-N 0 3 552.558 5.413 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000106018369 571410443 /nfs/dbraw/zinc/41/04/43/571410443.db2.gz YRTFIEWOVFCHFC-ZONZVBGPSA-N 0 3 569.411 5.719 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000106018630 571410492 /nfs/dbraw/zinc/41/04/92/571410492.db2.gz BNIOAGSFSYMSRP-IDZRBWSNSA-N 0 3 564.594 5.364 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106019780 571410688 /nfs/dbraw/zinc/41/06/88/571410688.db2.gz YVTFFVFKFYNBFH-XWHIBYANSA-N 0 3 588.591 6.258 50 0 KKAAHN COc1cc2c(cc1OC)[C@H](Cc1ccc(OCOc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc3)cc1)N(C)CC2 ZINC000106588079 571413032 /nfs/dbraw/zinc/41/30/32/571413032.db2.gz KSGGQJQFYBWKMO-PXLJZGITSA-N 0 3 638.805 6.680 50 0 biogenic KKAAHN CC(C)OC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000135737700 571448913 /nfs/dbraw/zinc/44/89/13/571448913.db2.gz LIVBTPXNXFXSRF-UHFFFAOYSA-N 0 3 594.596 7.829 50 0 KKAAHN CCCOc1ccc(CN2CCC([C@@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3C(F)(F)F)CC2)cc1 ZINC000136515587 571449367 /nfs/dbraw/zinc/44/93/67/571449367.db2.gz DTPFKRVUFLRRBC-LJAQVGFWSA-N 0 3 597.596 7.550 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000136643261 571449635 /nfs/dbraw/zinc/44/96/35/571449635.db2.gz RUPCLJMTESUGJN-ISJGIBHGSA-N 0 3 517.354 5.793 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137813337 571450595 /nfs/dbraw/zinc/45/05/95/571450595.db2.gz QYSPWHCQALCUAM-CCDWMCETSA-N 0 3 505.357 6.305 50 0 KKAAHN CCCCCOC(=O)c1c(Cl)cc(Cl)c(Cl)c1OC(=O)C(=O)Oc1c(Cl)c(Cl)cc(Cl)c1C(=O)OCCCCC ZINC000150338995 571457258 /nfs/dbraw/zinc/45/72/58/571457258.db2.gz PURKHUDOTFUVNG-UHFFFAOYSA-N 0 3 677.188 8.812 50 0 KKAAHN CN(C)c1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCN(C)CC2)cc1 ZINC000150346457 571460437 /nfs/dbraw/zinc/46/04/37/571460437.db2.gz CHBHFXPNMOLXSG-GDLZYMKVSA-N 0 3 652.787 5.135 50 0 KKAAHN CC(C)C(=O)Nc1ccn([C@H]2C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(=O)OC[C@H](C)c3ccccc3[N+](=O)[O-])O2)c(=O)n1 ZINC000150353943 571462885 /nfs/dbraw/zinc/46/28/85/571462885.db2.gz WIBNCZNHWIPMDL-RGLZCHPGSA-N 0 3 704.718 5.652 50 0 KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1OC ZINC000150389037 571471439 /nfs/dbraw/zinc/47/14/39/571471439.db2.gz CUDPNVBGTZCRCS-UHFFFAOYSA-N 0 3 662.101 8.608 50 0 KKAAHN CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150389279 571471678 /nfs/dbraw/zinc/47/16/78/571471678.db2.gz ZPGJZKUJFLELHA-UHFFFAOYSA-N 0 3 653.738 9.261 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000150390853 571473122 /nfs/dbraw/zinc/47/31/22/571473122.db2.gz QYSNILWPOILXJF-FQEVSTJZSA-N 0 3 656.644 6.919 50 0 KKAAHN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1CCNCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000150400110 571477930 /nfs/dbraw/zinc/47/79/30/571477930.db2.gz CVIJIDKQFLAUOV-UHFFFAOYSA-N 0 3 638.933 6.396 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccccc1I ZINC000150414770 571485316 /nfs/dbraw/zinc/48/53/16/571485316.db2.gz YIFRWDZXGTYRFT-DSNGMDLFSA-N 0 3 631.253 6.909 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000150610310 571523005 /nfs/dbraw/zinc/52/30/05/571523005.db2.gz AZLDHAXKHQJGGK-MFACQUFMSA-N 0 3 673.824 7.823 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150644171 571524807 /nfs/dbraw/zinc/52/48/07/571524807.db2.gz LLOMTMXQLYGCNY-WNOXWKSXSA-N 0 3 715.861 7.593 50 0 KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)[C@H]([C@@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000169296230 571553191 /nfs/dbraw/zinc/55/31/91/571553191.db2.gz SFFJARIKISDPGV-PMFUCWTESA-N 0 3 534.660 5.738 50 0 KKAAHN CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000169621039 571554440 /nfs/dbraw/zinc/55/44/40/571554440.db2.gz WFVVMUOCJWVLFU-UOSBZTQKSA-N 0 3 597.759 6.665 50 0 KKAAHN C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169677734 571555366 /nfs/dbraw/zinc/55/53/66/571555366.db2.gz LJGZUDQKQVFSON-PTJQVGQKSA-N 0 3 507.600 5.488 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000225075116 571644524 /nfs/dbraw/zinc/64/45/24/571644524.db2.gz VZINKNLPTWCSJS-YZNIXAGQSA-N 0 3 519.104 7.478 50 0 KKAAHN Clc1ccc(Cn2nc(CNCCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492576 572111052 /nfs/dbraw/zinc/11/10/52/572111052.db2.gz KSOSQIRFURLYAG-UHFFFAOYSA-N 0 3 551.507 5.548 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000299800637 572138095 /nfs/dbraw/zinc/13/80/95/572138095.db2.gz HYLPBUJSXCPJON-XTEPFMGCSA-N 0 3 539.164 5.154 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000226831990 572142923 /nfs/dbraw/zinc/14/29/23/572142923.db2.gz LMJKUQKVRQKBDU-OYUWMTPXSA-N 0 3 542.950 5.749 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl ZINC000226933476 572146153 /nfs/dbraw/zinc/14/61/53/572146153.db2.gz ROJJJJLQDMZZCG-PCCBWWKXSA-N 0 3 507.295 6.063 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000226933476 572146155 /nfs/dbraw/zinc/14/61/55/572146155.db2.gz ROJJJJLQDMZZCG-PCCBWWKXSA-N 0 3 507.295 6.063 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227022278 572147326 /nfs/dbraw/zinc/14/73/26/572147326.db2.gz RFPUSBURMCLQQW-ZXFZPVEDSA-N 0 3 590.701 6.320 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227029751 572148087 /nfs/dbraw/zinc/14/80/87/572148087.db2.gz CXTVRUVNZZWPLP-LBFZIJHGSA-N 0 3 570.645 6.869 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000227045638 572148263 /nfs/dbraw/zinc/14/82/63/572148263.db2.gz YTBXJCRIBIBBEH-PCCBWWKXSA-N 0 3 535.291 5.658 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227086697 572150240 /nfs/dbraw/zinc/15/02/40/572150240.db2.gz YEVTYJNCKNYRIU-UUQNIDNHSA-N 0 3 597.092 6.275 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227241527 572152375 /nfs/dbraw/zinc/15/23/75/572152375.db2.gz YVTFFVFKFYNBFH-DCMFLLSESA-N 0 3 588.591 6.258 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(F)cc5)o4)[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000229868638 572163256 /nfs/dbraw/zinc/16/32/56/572163256.db2.gz XADVKYJPWGMYDS-MIPDPRSHSA-N 0 3 628.722 7.136 50 0 KKAAHN O=C(c1cccs1)C1[C@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229871872 572163741 /nfs/dbraw/zinc/16/37/41/572163741.db2.gz KYYFKOQRQJVVSI-KUYWTNKVSA-N 0 3 581.491 6.367 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)cc1Br ZINC000229876681 572164618 /nfs/dbraw/zinc/16/46/18/572164618.db2.gz BVPTWCNALFELOH-CKXMCULTSA-N 0 3 595.449 5.907 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000229890966 572165473 /nfs/dbraw/zinc/16/54/73/572165473.db2.gz ODEHUGNLBCBGRS-UPRLRBBYSA-N 0 3 563.437 7.093 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000229968017 572174563 /nfs/dbraw/zinc/17/45/63/572174563.db2.gz BEHKNDPLVAUERG-RBZQAINGSA-N 0 3 571.482 6.162 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229990522 572177161 /nfs/dbraw/zinc/17/71/61/572177161.db2.gz BVKLXVDDFCVWMA-YTFSRNRJSA-N 0 3 524.791 6.246 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000230003580 572177918 /nfs/dbraw/zinc/17/79/18/572177918.db2.gz HMGCWYIVECWVQW-ISJGIBHGSA-N 0 3 539.802 6.958 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000230011155 572178567 /nfs/dbraw/zinc/17/85/67/572178567.db2.gz OOSVWNFTSWRROP-JIMJEQGWSA-N 0 3 519.384 6.613 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@@H]2C1=O ZINC000230033371 572180704 /nfs/dbraw/zinc/18/07/04/572180704.db2.gz IBILEQVHJPEGSC-YTFSRNRJSA-N 0 3 511.347 5.038 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@@H]3C2=O)cc1 ZINC000230052837 572181835 /nfs/dbraw/zinc/18/18/35/572181835.db2.gz YLDPQEKCJYKKRK-RBZQAINGSA-N 0 3 507.384 5.289 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189492 572185134 /nfs/dbraw/zinc/18/51/34/572185134.db2.gz GFWSHDWZDDBACX-QEETYVBOSA-N 0 3 517.610 5.389 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000238950230 572189578 /nfs/dbraw/zinc/18/95/78/572189578.db2.gz XGGRGRIBRQXWRZ-UBFVSLLYSA-N 0 3 516.619 5.163 50 0 KKAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000245108466 572200779 /nfs/dbraw/zinc/20/07/79/572200779.db2.gz SYHLRCGHVPPVBA-NDEPHWFRSA-N 0 3 600.682 5.309 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245245204 572217160 /nfs/dbraw/zinc/21/71/60/572217160.db2.gz BWEQFPMJXCVAOS-ACIRYHQQSA-N 0 3 559.493 6.972 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000245245222 572217232 /nfs/dbraw/zinc/21/72/32/572217232.db2.gz CEPACTMFKHAIAN-OLBUMSFYSA-N 0 3 555.634 5.645 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245245665 572217646 /nfs/dbraw/zinc/21/76/46/572217646.db2.gz FSTVWFOEGZOODZ-OAJQQGRKSA-N 0 3 551.067 6.566 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245245665 572217651 /nfs/dbraw/zinc/21/76/51/572217651.db2.gz FSTVWFOEGZOODZ-OAJQQGRKSA-N 0 3 551.067 6.566 50 0 KKAAHN O=C1Nc2ccccc2[C@@]12C(=C([O-])c1ccc(Cl)cc1Cl)[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@@H]12 ZINC000245245585 572217754 /nfs/dbraw/zinc/21/77/54/572217754.db2.gz DRKWHMYCGUOUMF-LXEATBNUSA-N 0 3 552.845 5.661 50 0 KKAAHN O=C(c1ccc(Cl)cc1Cl)C1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000245245585 572217755 /nfs/dbraw/zinc/21/77/55/572217755.db2.gz DRKWHMYCGUOUMF-LXEATBNUSA-N 0 3 552.845 5.661 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000245246797 572220015 /nfs/dbraw/zinc/22/00/15/572220015.db2.gz OEULSDVNRAXMCN-JCYYIGJDSA-N 0 3 575.042 5.467 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245310076 572228096 /nfs/dbraw/zinc/22/80/96/572228096.db2.gz HFRUBRGONLVFPZ-DDWAFBAVSA-N 0 3 539.635 5.945 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245312000 572229965 /nfs/dbraw/zinc/22/99/65/572229965.db2.gz RPAOVPSORWAUDF-XTQYNZLPSA-N 0 3 525.048 6.237 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@H]3C2=O)cc1 ZINC000245312785 572230216 /nfs/dbraw/zinc/23/02/16/572230216.db2.gz WYYYTXNFYZOAJH-TWJOJJKGSA-N 0 3 519.384 6.613 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000245325679 572232005 /nfs/dbraw/zinc/23/20/05/572232005.db2.gz BZAJHVYCKFSBJP-VPUSJEBWSA-N 0 3 538.610 6.448 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cc(Br)ccc4OC)[C@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000245328151 572234491 /nfs/dbraw/zinc/23/44/91/572234491.db2.gz SKWSTHUBXPHTHA-OGUHAFAFSA-N 0 3 653.595 6.508 50 0 KKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000245329986 572236130 /nfs/dbraw/zinc/23/61/30/572236130.db2.gz WHJKGIFSNRYXGY-NAKRPHOHSA-N 0 3 512.616 6.929 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249245 572257135 /nfs/dbraw/zinc/25/71/35/572257135.db2.gz ROTDXEFQIGLLJT-GJZUVCINSA-N 0 3 501.568 6.187 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248260580 572257391 /nfs/dbraw/zinc/25/73/91/572257391.db2.gz WAVLQOGKLZLFIK-LSYYVWMOSA-N 0 3 542.617 6.867 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248340641 572258463 /nfs/dbraw/zinc/25/84/63/572258463.db2.gz VFFRXJDXMHLXLI-HPNWTYDNSA-N 0 3 541.607 5.336 50 0 KKAAHN CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@@H]3c4cc(OC)c(OC)cc4CCN3C[C@H]2CC)cc1 ZINC000248378803 572258606 /nfs/dbraw/zinc/25/86/06/572258606.db2.gz KQLDASGMVSYSES-ABHKCOFOSA-N 0 3 628.810 6.895 50 0 KKAAHN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3C4=C(CCCC4)C(=O)N3C[C@H]3CCCO3)CCC[C@@]21C ZINC000252444311 572261055 /nfs/dbraw/zinc/26/10/55/572261055.db2.gz BEEWXJLOUGNKKP-YLXTWAGZSA-N 0 3 504.759 6.628 50 0 KKAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(Cc3cccnc3)CC2)CC1 ZINC000252485272 572261648 /nfs/dbraw/zinc/26/16/48/572261648.db2.gz GPXLVWCOQMTNRR-UHFFFAOYSA-N 0 3 529.651 5.538 50 0 KKAAHN CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CC[C@@H](c2ccc(O[C@@H]3CCC[C@@H]3N3CCN(C)CC3)cc2)CC1 ZINC000252512220 572262167 /nfs/dbraw/zinc/26/21/67/572262167.db2.gz ODKQFULXUUADEW-LNVOOWCLSA-N 0 3 510.122 5.686 50 0 KKAAHN CN(CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586366 572265329 /nfs/dbraw/zinc/26/53/29/572265329.db2.gz PKPVAUJGGSQOMJ-LBULEFPHSA-N 0 3 625.597 5.054 50 0 KKAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252587100 572265898 /nfs/dbraw/zinc/26/58/98/572265898.db2.gz VPZSVEGKGKSXKT-CVNBTSDOSA-N 0 3 604.836 5.105 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2csc(-c3ccccc3)n2)c1)Cc1cccc2cccnc21 ZINC000101854418 1069821011 /nfs/dbraw/zinc/82/10/11/1069821011.db2.gz YSQGDNOYWWXAIU-JGCGQSQUSA-N 0 3 590.793 7.383 50 0 KKAAHN Cc1[nH]c2c(cccc2C(=O)N2CCN(CCOc3cccc(CN(C)Cc4cccs4)c3)CC2)c1C ZINC000091830857 1069848576 /nfs/dbraw/zinc/84/85/76/1069848576.db2.gz CIFNPALNAYFESA-UHFFFAOYSA-N 0 3 516.711 5.315 50 0 KKAAHN Cc1[nH]c2c(cccc2C(=O)N2CCN(CCOc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)c1C ZINC000102701094 1069863705 /nfs/dbraw/zinc/86/37/05/1069863705.db2.gz GBINZIVXJHDZRA-UHFFFAOYSA-N 0 3 561.730 5.802 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NCC(C)C)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014732940 1070946892 /nfs/dbraw/zinc/94/68/92/1070946892.db2.gz YOFNBYYTVFADHB-LEWJYISDSA-N 0 3 508.581 5.012 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012246356 1071239991 /nfs/dbraw/zinc/23/99/91/1071239991.db2.gz JVKNKOPNXQFBIQ-XMMPIXPASA-N 0 3 525.678 5.507 50 0 KKAAHN Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)n2)cc1 ZINC000825182599 1071286920 /nfs/dbraw/zinc/28/69/20/1071286920.db2.gz BSBTVVMZLJTADX-SANMLTNESA-N 0 3 524.068 7.553 50 0 KKAAHN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719919 551536550 /nfs/dbraw/zinc/53/65/50/551536550.db2.gz COUQSWZIKUJZCY-GWGLJBMUSA-N 0 3 573.660 5.143 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(NC(C)=O)cc1 ZINC000001317832 551641035 /nfs/dbraw/zinc/64/10/35/551641035.db2.gz UHXJQHQVPKOXDR-XIFFEERXSA-N 0 3 547.655 6.528 50 0 biogenic KKAAHN CCOC(=O)c1ccccc1OCc1cc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)ccc1OC ZINC000001322336 551642031 /nfs/dbraw/zinc/64/20/31/551642031.db2.gz PCTRPPBDUIJHMN-MGBGTMOVSA-N 0 3 562.666 6.746 50 0 biogenic KKAAHN Cc1cccc(N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000001808740 551705058 /nfs/dbraw/zinc/70/50/58/551705058.db2.gz CCFSAYGXFQLIAW-GDLZYMKVSA-N 0 3 500.664 5.254 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(Br)cc1 ZINC000001833325 551711998 /nfs/dbraw/zinc/71/19/98/551711998.db2.gz LLVJDDOWYQDYQP-HKBQPEDESA-N 0 3 569.499 7.332 50 0 biogenic KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001872439 551720089 /nfs/dbraw/zinc/72/00/89/551720089.db2.gz HUFSSWPPXLWONS-OCBJUFRSSA-N 0 3 555.030 6.369 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001872439 551720091 /nfs/dbraw/zinc/72/00/91/551720091.db2.gz HUFSSWPPXLWONS-OCBJUFRSSA-N 0 3 555.030 6.369 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000001897072 551728622 /nfs/dbraw/zinc/72/86/22/551728622.db2.gz MNGDKBFIEHHTNZ-CCDWMCETSA-N 0 3 574.247 7.611 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000002325489 552095142 /nfs/dbraw/zinc/09/51/42/552095142.db2.gz OINBOBWIHPBJSO-QHAWAJNXSA-N 0 3 528.200 5.263 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000002404252 552112034 /nfs/dbraw/zinc/11/20/34/552112034.db2.gz XURFVSLLBIIBID-CILKRHGOSA-N 0 3 546.648 6.003 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000002432816 552118266 /nfs/dbraw/zinc/11/82/66/552118266.db2.gz HURXEWHQARGWKH-OLUZHXLYSA-N 0 3 536.628 6.469 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000002449236 552122590 /nfs/dbraw/zinc/12/25/90/552122590.db2.gz CWSHZTDTVXGPNQ-NJDAHSKKSA-N 0 3 536.184 5.946 50 0 KKAAHN COc1cc([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654162 552147994 /nfs/dbraw/zinc/14/79/94/552147994.db2.gz YKDGTSAUMCIKQF-QABMSTFYSA-N 0 3 563.019 8.252 50 0 KKAAHN COc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002774236 552185904 /nfs/dbraw/zinc/18/59/04/552185904.db2.gz FRCYOTHKYJAJDX-UHFFFAOYSA-N 0 3 530.466 6.067 50 0 KKAAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002781319 552188442 /nfs/dbraw/zinc/18/84/42/552188442.db2.gz RTUPKKPUVHETPR-UHFFFAOYSA-N 0 3 539.587 5.565 50 0 KKAAHN CCOc1cc(CNCc2ccccc2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 ZINC000002890448 552211214 /nfs/dbraw/zinc/21/12/14/552211214.db2.gz XHVJJGHSBDVUQW-UHFFFAOYSA-N 0 3 530.406 5.306 50 0 KKAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000002959900 552233468 /nfs/dbraw/zinc/23/34/68/552233468.db2.gz UPXBEVAYFJAZCX-FDFHNCONSA-N 0 3 559.247 5.324 50 0 KKAAHN CC(C)(C)c1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967687 552237876 /nfs/dbraw/zinc/23/78/76/552237876.db2.gz IUPZPTQZMZAJBR-QHCPKHFHSA-N 0 3 516.692 5.644 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968384 552240376 /nfs/dbraw/zinc/24/03/76/552240376.db2.gz VGYQUYXYPKSDEC-DNQXCXABSA-N 0 3 578.069 5.295 50 0 KKAAHN CC(C)N(CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054710 552279778 /nfs/dbraw/zinc/27/97/78/552279778.db2.gz USCADVWCQVETDG-OVVQPSECSA-N 0 3 564.549 5.956 50 0 KKAAHN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCN(C)Cc3ccccc3)C2=O)cc1Br ZINC000003057822 552281212 /nfs/dbraw/zinc/28/12/12/552281212.db2.gz SLGFCFLSIPBTGS-YZSQISJMSA-N 0 3 566.521 5.186 50 0 KKAAHN O=C(NCCN1CCCCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059622 552281774 /nfs/dbraw/zinc/28/17/74/552281774.db2.gz PRJSPTQMMYIUBG-ANYBSYGZSA-N 0 3 530.068 5.913 50 0 KKAAHN COc1ccc(NC(=O)COc2ccc([C@@H]3NC[C@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410206 552381909 /nfs/dbraw/zinc/38/19/09/552381909.db2.gz DQJZKQXBCINRDZ-QNLPTKCRSA-N 0 3 568.073 6.681 50 0 KKAAHN COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc21 ZINC000004655029 552471496 /nfs/dbraw/zinc/47/14/96/552471496.db2.gz QUIJNHUBAXPXFS-XLJNKUFUSA-N 0 3 555.516 7.131 50 0 fda KKAAHN c1ccc([C@@H]2CC(c3ccc(C4=NN(c5ccccc5)[C@H](c5ccccc5)C4)cc3)=NN2c2ccccc2)cc1 ZINC000005395775 552500891 /nfs/dbraw/zinc/50/08/91/552500891.db2.gz HUDFQTTYMSMMGU-ZPGRZCPFSA-N 0 3 518.664 8.398 50 0 KKAAHN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000006023248 552520162 /nfs/dbraw/zinc/52/01/62/552520162.db2.gz BXBZIOWDXOTBEK-UHFFFAOYSA-N 0 3 531.722 5.568 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166797 552556901 /nfs/dbraw/zinc/55/69/01/552556901.db2.gz CHMOBCYCIPUWDM-UHFFFAOYSA-N 0 3 627.675 9.029 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000008386285 552991839 /nfs/dbraw/zinc/99/18/39/552991839.db2.gz RVRWYUMQGDPBPJ-NJDAHSKKSA-N 0 3 504.411 5.358 50 0 KKAAHN O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444825 553051999 /nfs/dbraw/zinc/05/19/99/553051999.db2.gz PDXWEDPGKPWEPA-RULLOFLBSA-N 0 3 592.504 6.033 50 0 KKAAHN CC(C)(C)OC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000008448285 553055760 /nfs/dbraw/zinc/05/57/60/553055760.db2.gz RQQQYVFOXFBNOZ-UHFFFAOYSA-N 0 3 608.623 8.219 50 0 KKAAHN CC(C)OC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448289 553055836 /nfs/dbraw/zinc/05/58/36/553055836.db2.gz KCIHCHFEJAPWOM-UHFFFAOYSA-N 0 3 626.594 7.589 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000008696049 553125563 /nfs/dbraw/zinc/12/55/63/553125563.db2.gz KURRTRAUUXOBQV-CYTLCNBWSA-N 0 3 597.804 5.537 50 0 KKAAHN CCCOc1ccc(C(=O)[C@@H](CCC[C@@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000008732603 553130377 /nfs/dbraw/zinc/13/03/77/553130377.db2.gz OAFRDWCVIBXSEZ-SVBPBHIXSA-N 0 3 510.719 5.856 50 0 KKAAHN COC(=O)c1sc2nc(-c3ccccc3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1C ZINC000008751209 553135402 /nfs/dbraw/zinc/13/54/02/553135402.db2.gz CUVFPCDWKIAEKX-UHFFFAOYSA-N 0 3 534.685 6.365 50 0 KKAAHN CSc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763386 553137820 /nfs/dbraw/zinc/13/78/20/553137820.db2.gz WTMHMIQZQQQCNR-GDLZYMKVSA-N 0 3 530.759 7.976 50 0 KKAAHN COc1ccccc1OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccco1 ZINC000008770293 553140734 /nfs/dbraw/zinc/14/07/34/553140734.db2.gz ANXOHPUNPZVDSR-DEOSSOPVSA-N 0 3 506.522 5.085 50 0 KKAAHN O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008868891 553171077 /nfs/dbraw/zinc/17/10/77/553171077.db2.gz CBVXDGRVVNIPGI-UHFFFAOYSA-N 0 3 509.576 5.142 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009066722 553206110 /nfs/dbraw/zinc/20/61/10/553206110.db2.gz ZZMDIORJTDCAGF-OAQYLSRUSA-N 0 3 509.275 6.500 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009088318 553208905 /nfs/dbraw/zinc/20/89/05/553208905.db2.gz GKISSFMKIWYFDS-GSTLAZBSSA-N 0 3 517.412 5.864 50 0 KKAAHN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432876 553262922 /nfs/dbraw/zinc/26/29/22/553262922.db2.gz RJZOUPMTYJYFRL-NSOVKSMOSA-N 0 3 535.710 5.219 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009433224 553263042 /nfs/dbraw/zinc/26/30/42/553263042.db2.gz YDXBHKORPNXBLF-IZLXSDGUSA-N 0 3 501.696 5.249 50 0 KKAAHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433597 553263305 /nfs/dbraw/zinc/26/33/05/553263305.db2.gz WDOSKLSDJSTYEX-URLMMPGGSA-N 0 3 513.707 5.536 50 0 KKAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433596 553263322 /nfs/dbraw/zinc/26/33/22/553263322.db2.gz WDOSKLSDJSTYEX-FQLXRVMXSA-N 0 3 513.707 5.536 50 0 KKAAHN CCCOc1ccc(-c2nc3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000009436010 553264370 /nfs/dbraw/zinc/26/43/70/553264370.db2.gz UVXZUWZFDADFRI-UHFFFAOYSA-N 0 3 514.673 6.997 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)Cc4c(F)cccc4Cl)ccc3nc3c2CCCC3)cc1OC ZINC000009777096 553306442 /nfs/dbraw/zinc/30/64/42/553306442.db2.gz MMGSDEJBZZSCTN-UHFFFAOYSA-N 0 3 520.004 6.848 50 0 KKAAHN Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1CCOc1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC000011788596 553343082 /nfs/dbraw/zinc/34/30/82/553343082.db2.gz HOTBZHYHGFCUBJ-MUUNZHRXSA-N 0 3 526.681 5.864 50 0 KKAAHN COc1ccccc1CCC(=O)N(CCN(C)C)Cc1cc2ccc(SC)cc2nc1-c1cccs1 ZINC000011909957 553348634 /nfs/dbraw/zinc/34/86/34/553348634.db2.gz CENDQASCWVESAE-UHFFFAOYSA-N 0 3 519.736 6.217 50 0 KKAAHN Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000012170472 553353243 /nfs/dbraw/zinc/35/32/43/553353243.db2.gz LTIGBEPXXOGOFS-XMMPIXPASA-N 0 3 500.639 5.020 50 0 KKAAHN CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1CC1CCCCC1 ZINC000012242044 553354581 /nfs/dbraw/zinc/35/45/81/553354581.db2.gz WIAIRIGGLHJGQH-BVAGGSTKSA-N 0 3 518.752 6.552 50 0 KKAAHN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012872063 553424202 /nfs/dbraw/zinc/42/42/02/553424202.db2.gz CYIQITBIFVVIGC-FONMYUOISA-N 0 3 525.730 5.794 50 0 biogenic KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000013757502 553488294 /nfs/dbraw/zinc/48/82/94/553488294.db2.gz RLCNXIWLOUMWJM-SVFBPWRDSA-N 0 3 508.188 6.351 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013770298 553489456 /nfs/dbraw/zinc/48/94/56/553489456.db2.gz WKXZDSIZVUCERD-DSNGMDLFSA-N 0 3 505.357 6.305 50 0 KKAAHN COc1cccc(C(=O)N2CCC(Oc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)c1OC ZINC000014971692 553522863 /nfs/dbraw/zinc/52/28/63/553522863.db2.gz YFLKTCBLATYIKW-UHFFFAOYSA-N 0 3 525.649 5.568 50 0 KKAAHN C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 ZINC000014998723 553524587 /nfs/dbraw/zinc/52/45/87/553524587.db2.gz AWUMHVHXXLFJGT-HXUWFJFHSA-N 0 3 507.556 6.083 50 0 KKAAHN Cc1ccsc1C(=O)N1CCN(CCOc2ccc(CN(C)Cc3ccc4ncccc4c3)cc2)CC1 ZINC000015000203 553524989 /nfs/dbraw/zinc/52/49/89/553524989.db2.gz QFOMGUZVHOLMKA-UHFFFAOYSA-N 0 3 514.695 5.074 50 0 KKAAHN O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319050 553531538 /nfs/dbraw/zinc/53/15/38/553531538.db2.gz AJIOITYREKUSHL-KEMCIHPCSA-N 0 3 531.598 5.409 50 0 KKAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319723 553531756 /nfs/dbraw/zinc/53/17/56/553531756.db2.gz SMXGJCRSRYGRBF-CREAGHEYSA-N 0 3 531.598 5.409 50 0 KKAAHN Cc1ccc([N-]C(=O)c2c(SCC(=O)Nc3ccc(C)cc3)n(-c3ccccc3)c3cccc[n+]32)cc1 ZINC000016035280 553551991 /nfs/dbraw/zinc/55/19/91/553551991.db2.gz LRCVRJFOFCNJBZ-UHFFFAOYSA-O 0 3 507.639 5.816 50 0 KKAAHN O=C(Nc1ccccc1)C1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000016041059 553552880 /nfs/dbraw/zinc/55/28/80/553552880.db2.gz VPSLASCOTOGLRD-UHLQNUQBSA-N 0 3 511.581 5.299 50 0 biogenic KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000070454179 553594001 /nfs/dbraw/zinc/59/40/01/553594001.db2.gz HGNHIFJNOKGSKI-URLMMPGGSA-N 0 3 608.735 6.859 50 0 endogenous,in-man KKAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc4ccccc43)N12 ZINC000070686498 553605325 /nfs/dbraw/zinc/60/53/25/553605325.db2.gz MBDHERZCJMVDLD-HJIQQCSTSA-N 0 3 554.694 5.671 50 0 biogenic KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000019685806 553615385 /nfs/dbraw/zinc/61/53/85/553615385.db2.gz FUZMQNZACIFDBL-KYJUHHDHSA-N 0 3 652.788 7.171 50 0 biogenic,in-vitro KKAAHN CCCOc1ccc([C@H]2CN3C(=O)CN(C4CCN(Cc5ccccc5)CC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070699077 553615623 /nfs/dbraw/zinc/61/56/23/553615623.db2.gz NPTNXTMTIFUQIQ-IIZRLQMASA-N 0 3 606.767 5.661 50 0 biogenic KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000020242600 553627525 /nfs/dbraw/zinc/62/75/25/553627525.db2.gz ANXXMCDEUUKTMT-DIPNUNPCSA-N 0 3 521.658 5.005 50 0 KKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)CN3CCN(Cc4ccccc4)CC3)c2c(C)c1 ZINC000019901520 553632906 /nfs/dbraw/zinc/63/29/06/553632906.db2.gz QVSJUZROQOEMMG-YTTGMZPUSA-N 0 3 529.728 6.771 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCN(CCc2ccccc2)CC1 ZINC000019908813 553633112 /nfs/dbraw/zinc/63/31/12/553633112.db2.gz YBPYBFSAKCTPRK-JGCGQSQUSA-N 0 3 529.728 6.505 50 0 KKAAHN CC[C@]1(C)Cc2c(sc3nc(SC)nc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c23)CO1 ZINC000020358008 553642672 /nfs/dbraw/zinc/64/26/72/553642672.db2.gz NLCXRBUJZZGIOB-SSEXGKCCSA-N 0 3 530.763 6.566 50 0 KKAAHN COc1ccc(/C=C2\CN(Cc3ccccc3)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020038093 553667955 /nfs/dbraw/zinc/66/79/55/553667955.db2.gz ZGMYKCLMCYAYHD-JRTRDWJKSA-N 0 3 515.657 6.837 50 0 KKAAHN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CCN(C)C)C(=O)c2ccccc2Cl)c1 ZINC000085405151 553679761 /nfs/dbraw/zinc/67/97/61/553679761.db2.gz SWILITRWXZSDLL-UHFFFAOYSA-N 0 3 521.466 5.274 50 0 KKAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736207 553693752 /nfs/dbraw/zinc/69/37/52/553693752.db2.gz FPSGMIQCHGQJRH-ZZAQJSIPSA-N 0 3 529.681 6.110 50 0 KKAAHN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2)C1=O ZINC000020737077 553694256 /nfs/dbraw/zinc/69/42/56/553694256.db2.gz OWZGFRRQHKPMIA-YBMXKYEKSA-N 0 3 525.718 6.279 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CCN1CCN(Cc2ccccc2)CC1 ZINC000020790248 553698131 /nfs/dbraw/zinc/69/81/31/553698131.db2.gz KJRGEHFACVOZQK-JGCGQSQUSA-N 0 3 529.728 6.853 50 0 KKAAHN CN(C)/C=C1\C=C(/C=C2\c3ccccc3C(c3ccccc3)=C2c2ccccc2)C(/C=C2/c3ccccc3C(c3ccccc3)=C2c2ccccc2)=C1 ZINC000095742942 553712692 /nfs/dbraw/zinc/71/26/92/553712692.db2.gz AIGNVUSFTZNJIY-UDJVSEDJSA-N 0 3 677.891 12.411 50 0 KKAAHN COc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)c3cc(C)ccc3F)c3ccccc32)cc1 ZINC000096287406 553738368 /nfs/dbraw/zinc/73/83/68/553738368.db2.gz DGKJOTKXVBBBHA-HHHXNRCGSA-N 0 3 513.657 5.880 50 0 KKAAHN O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21)NCCN1CCCC1 ZINC000096288728 553740616 /nfs/dbraw/zinc/74/06/16/553740616.db2.gz OJWKUDOEWOTOGA-UHFFFAOYSA-N 0 3 500.257 5.453 50 0 KKAAHN CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCCCN2CCN(CCO)CC2)c2ccccc12 ZINC000022456502 553742628 /nfs/dbraw/zinc/74/26/28/553742628.db2.gz ACRPQHFEZZYCJE-UHFFFAOYSA-N 0 3 567.774 6.418 50 0 KKAAHN CCOC(=O)[C@H]1C[C@@H]1CN1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659966 553748827 /nfs/dbraw/zinc/74/88/27/553748827.db2.gz YJVBXGFMMSQTKM-RDGATRHJSA-N 0 3 505.486 5.306 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000022790504 553750757 /nfs/dbraw/zinc/75/07/57/553750757.db2.gz HZGVYCKFXUCJKR-PTGVWUEVSA-N 0 3 583.368 6.011 50 0 KKAAHN CC(C)Cc1ccc([C@H](C)CC(=O)OCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 ZINC000096563918 553755804 /nfs/dbraw/zinc/75/58/04/553755804.db2.gz HDRXKOPORHCYMU-RUZDIDTESA-N 0 3 508.703 5.493 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000097944124 553768771 /nfs/dbraw/zinc/76/87/71/553768771.db2.gz ZZAHSUXXKPZJRM-OAQYLSRUSA-N 0 3 577.748 6.156 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000097945930 553775504 /nfs/dbraw/zinc/77/55/04/553775504.db2.gz BHUMHJXUQPSAIS-HMMYKYKNSA-N 0 3 649.750 9.598 50 0 KKAAHN O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000097951449 553809033 /nfs/dbraw/zinc/80/90/33/553809033.db2.gz OINBOBWIHPBJSO-NJDAHSKKSA-N 0 3 528.200 5.263 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000097951449 553809035 /nfs/dbraw/zinc/80/90/35/553809035.db2.gz OINBOBWIHPBJSO-NJDAHSKKSA-N 0 3 528.200 5.263 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000097954102 553821243 /nfs/dbraw/zinc/82/12/43/553821243.db2.gz HXSMBWAGYBRALD-UBFVSLLYSA-N 0 3 549.808 6.414 50 0 KKAAHN CCSc1nc2sc3c(c2c(N2CCN(C(c4ccccc4)c4ccccc4)CC2)n1)C[C@@](C)(CC)OC3 ZINC000097954554 553824216 /nfs/dbraw/zinc/82/42/16/553824216.db2.gz ZEMCTFIMANQNMK-WJOKGBTCSA-N 0 3 544.790 6.956 50 0 KKAAHN CC(C)(C)c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000097955847 553834712 /nfs/dbraw/zinc/83/47/12/553834712.db2.gz SWCZWAILZSSNKJ-UHFFFAOYSA-N 0 3 536.123 7.259 50 0 KKAAHN c1nn2c(nc(-c3ccccc3)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000027585893 553835602 /nfs/dbraw/zinc/83/56/02/553835602.db2.gz MKGQNMKRDPWZTO-UHFFFAOYSA-N 0 3 521.668 6.975 50 0 KKAAHN COc1ccc(OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccc(Cl)cc2)C4c2ccco2)cc1 ZINC000097956584 553839936 /nfs/dbraw/zinc/83/99/36/553839936.db2.gz IMLYFHOYUMDPTL-XMMPIXPASA-N 0 3 540.967 5.738 50 0 KKAAHN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354945 553932096 /nfs/dbraw/zinc/93/20/96/553932096.db2.gz WDJNIEADSJLIEA-CREAGHEYSA-N 0 3 548.053 5.923 50 0 KKAAHN CCCC[C@H](CC)C(=O)N(CCN1CCCC1)CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1 ZINC000033793174 553974129 /nfs/dbraw/zinc/97/41/29/553974129.db2.gz RCACJCGFJQZDJG-VWLOTQADSA-N 0 3 515.739 5.865 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671615 553982354 /nfs/dbraw/zinc/98/23/54/553982354.db2.gz AXSHSLGNMFARCU-SAIUNTKASA-N 0 3 519.689 6.054 50 0 KKAAHN O=C(Nc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681611 553985190 /nfs/dbraw/zinc/98/51/90/553985190.db2.gz OAGUTJZVRQVGBD-UHFFFAOYSA-N 0 3 522.493 6.084 50 0 KKAAHN COc1ccc(CN(C[C@H](Oc2ccc(F)cc2)C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000034697099 553991068 /nfs/dbraw/zinc/99/10/68/553991068.db2.gz FMRDMGHVPJEUGY-NDEPHWFRSA-N 0 3 526.605 5.157 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699127 553991938 /nfs/dbraw/zinc/99/19/38/553991938.db2.gz ROTDXEFQIGLLJT-ATIYNZHBSA-N 0 3 501.568 6.187 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698856 553991966 /nfs/dbraw/zinc/99/19/66/553991966.db2.gz UMDXQFSJIDKGJV-POURPWNDSA-N 0 3 501.114 7.339 50 0 KKAAHN COc1ccc([C@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699326 553992368 /nfs/dbraw/zinc/99/23/68/553992368.db2.gz NEKMJQLHAZFCCA-SETSBSEESA-N 0 3 506.618 5.116 50 0 KKAAHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)C1 ZINC000034716820 553995622 /nfs/dbraw/zinc/99/56/22/553995622.db2.gz GDURILCLJKJVSR-TZRRMPRUSA-N 0 3 501.042 5.195 50 0 KKAAHN Cc1cc([C@@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716818 553995739 /nfs/dbraw/zinc/99/57/39/553995739.db2.gz UXUMWYGVNIKARA-VSGBNLITSA-N 0 3 520.092 5.738 50 0 KKAAHN CCOc1cc([C@H]2NC[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982274 554000565 /nfs/dbraw/zinc/00/05/65/554000565.db2.gz XABJVGMMVLQHNK-LHXZUMEBSA-N 0 3 613.552 7.620 50 0 KKAAHN CCOc1cc([C@@H]2NC[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OCCOc1cccc(Br)c1 ZINC000097982273 554000597 /nfs/dbraw/zinc/00/05/97/554000597.db2.gz XABJVGMMVLQHNK-UVMMSNCQSA-N 0 3 613.552 7.620 50 0 KKAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830234 554014737 /nfs/dbraw/zinc/01/47/37/554014737.db2.gz CBVRTSPIBICAQR-SSEXGKCCSA-N 0 3 507.744 5.425 50 0 KKAAHN CC[C@H](C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830248 554014958 /nfs/dbraw/zinc/01/49/58/554014958.db2.gz IYXQGTVXRXKXOE-HVNZXBJASA-N 0 3 529.750 5.649 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCCN1CCCCC1 ZINC000034889646 554023431 /nfs/dbraw/zinc/02/34/31/554023431.db2.gz WPEVDETZAWKBEV-NDEPHWFRSA-N 0 3 518.076 6.606 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(COc5ccc(C)cc5)nc4c32)cc1OC ZINC000098000295 554049895 /nfs/dbraw/zinc/04/98/95/554049895.db2.gz GVFHLUMBDGBFFO-NDEPHWFRSA-N 0 3 560.614 5.809 50 0 KKAAHN CCCCCOc1ccc(C(=O)[C@H](CCCC[C@@H](CN(C)C)C(=O)c2ccc(OCCCCC)cc2)CN(C)C)cc1 ZINC000098000397 554050889 /nfs/dbraw/zinc/05/08/89/554050889.db2.gz DCCVKJJGCWASFE-MEKGRNQZSA-N 0 3 580.854 7.806 50 0 KKAAHN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006285 554061067 /nfs/dbraw/zinc/06/10/67/554061067.db2.gz AYVCODBACZNFIJ-SSQUWPJFSA-N 0 3 573.660 5.287 50 0 KKAAHN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000035774030 554073607 /nfs/dbraw/zinc/07/36/07/554073607.db2.gz BCKMHUYGHAISMA-WUFINQPMSA-N 0 3 533.713 5.453 50 0 KKAAHN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)Nc2cccc(Cl)c2)o1 ZINC000035809415 554077995 /nfs/dbraw/zinc/07/79/95/554077995.db2.gz RHHWIOQZZMRMCZ-UHFFFAOYSA-N 0 3 523.077 5.443 50 0 KKAAHN CCOC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CC(c3ccc(N(C)C)cc3)=NO2)cc1 ZINC000035835974 554080189 /nfs/dbraw/zinc/08/01/89/554080189.db2.gz NQTIPHAAKWSMGI-SANMLTNESA-N 0 3 500.599 5.157 50 0 KKAAHN CC(C)(C)c1ccc(Cn2cccc2CN(C[C@@H](O)COCc2ccccc2)CC2CCCCC2)cc1 ZINC000035840719 554080384 /nfs/dbraw/zinc/08/03/84/554080384.db2.gz DSDCJVXYGNFFOM-JGCGQSQUSA-N 0 3 502.743 6.794 50 0 KKAAHN C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035871464 554085896 /nfs/dbraw/zinc/08/58/96/554085896.db2.gz LJGZUDQKQVFSON-JKJMAWGESA-N 0 3 507.600 5.488 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccccc2C)c(C)c1 ZINC000098012069 554087303 /nfs/dbraw/zinc/08/73/03/554087303.db2.gz DDEPRSJVQFAWHF-JGCGQSQUSA-N 0 3 567.759 5.312 50 0 KKAAHN CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C ZINC000098043801 554128826 /nfs/dbraw/zinc/12/88/26/554128826.db2.gz DPJNKUOXBZSZAI-UHFFFAOYSA-N 0 3 569.754 5.089 50 0 in-vitro KKAAHN Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CCN(C)C)C(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000036051327 554156836 /nfs/dbraw/zinc/15/68/36/554156836.db2.gz PBBRWKCDPUZXIG-UHFFFAOYSA-N 0 3 530.072 5.452 50 0 KKAAHN O[C@H](CNCc1ccccc1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098050488 554175004 /nfs/dbraw/zinc/17/50/04/554175004.db2.gz BGTKHNYTCPBHRG-GOSISDBHSA-N 0 3 582.223 5.154 50 0 KKAAHN CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CCN2CCCC2)C(=O)C2CCCC2)cc1 ZINC000036116628 554182096 /nfs/dbraw/zinc/18/20/96/554182096.db2.gz LLIAAPYILDZTRL-MUUNZHRXSA-N 0 3 537.770 5.491 50 0 KKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036302055 554211861 /nfs/dbraw/zinc/21/18/61/554211861.db2.gz UAXRSEWQUQEUOH-CUBQBAPOSA-N 0 3 529.681 6.160 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036303968 554213709 /nfs/dbraw/zinc/21/37/09/554213709.db2.gz UIXDGXAVUWETIS-AREMUKBSSA-N 0 3 505.609 6.313 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305213 554215003 /nfs/dbraw/zinc/21/50/03/554215003.db2.gz VXMCGLDDECJFSE-SANMLTNESA-N 0 3 502.058 6.348 50 0 KKAAHN Cc1cccc(Oc2c(CN(C[C@H](O)COCc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306543 554215730 /nfs/dbraw/zinc/21/57/30/554215730.db2.gz NNGGGJMAAREVFY-NDEPHWFRSA-N 0 3 511.666 5.978 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307267 554215787 /nfs/dbraw/zinc/21/57/87/554215787.db2.gz SBSBNXNZKXERSP-RUZDIDTESA-N 0 3 501.602 5.670 50 0 KKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036307644 554216321 /nfs/dbraw/zinc/21/63/21/554216321.db2.gz CPGBYFWCJTYAOY-AREMUKBSSA-N 0 3 503.618 5.808 50 0 KKAAHN CCCCOC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036313656 554218946 /nfs/dbraw/zinc/21/89/46/554218946.db2.gz JZPBACIITUDIHE-VWLOTQADSA-N 0 3 500.083 6.262 50 0 KKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316113 554219684 /nfs/dbraw/zinc/21/96/84/554219684.db2.gz BCRMIDXPHJGWTF-JOCHJYFZSA-N 0 3 501.618 5.792 50 0 KKAAHN CC[C@@H](C(=O)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccccc1 ZINC000037277361 554233294 /nfs/dbraw/zinc/23/32/94/554233294.db2.gz LIZFMKUSISNGPG-GDLZYMKVSA-N 0 3 530.757 5.446 50 0 KKAAHN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)N3CCN(C4CCCCCC4)CC3)CC2)cc1 ZINC000037277495 554233336 /nfs/dbraw/zinc/23/33/36/554233336.db2.gz RHWVQAUWWFTWGE-UHFFFAOYSA-N 0 3 517.718 5.266 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037524000 554250041 /nfs/dbraw/zinc/25/00/41/554250041.db2.gz CKYFFCMWEQOLFE-SHQCIBLASA-N 0 3 530.581 6.998 50 0 KKAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Br)c3)N12 ZINC000038144950 554266383 /nfs/dbraw/zinc/26/63/83/554266383.db2.gz FYTBEHAACLDCSC-IZEXYCQBSA-N 0 3 583.530 5.280 50 0 biogenic KKAAHN COc1cc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356153 554344922 /nfs/dbraw/zinc/34/49/22/554344922.db2.gz SBJYLUVEUBELOW-UKJJDJLKSA-N 0 3 552.074 6.980 50 0 KKAAHN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccccc4)CC2)n3C)c1 ZINC000057264367 554353333 /nfs/dbraw/zinc/35/33/33/554353333.db2.gz XOECMCIOBAKSJC-UHFFFAOYSA-N 0 3 525.697 5.387 50 0 KKAAHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000057256240 554353447 /nfs/dbraw/zinc/35/34/47/554353447.db2.gz AWKZBTOWIATADS-UHFFFAOYSA-N 0 3 506.675 5.803 50 0 KKAAHN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000057314341 554354270 /nfs/dbraw/zinc/35/42/70/554354270.db2.gz UCBRIDZECGGPOG-UHFFFAOYSA-N 0 3 502.684 5.315 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2c(cccc2OC)s1 ZINC000060209916 554503826 /nfs/dbraw/zinc/50/38/26/554503826.db2.gz USUPLUKXTPWATJ-UHFFFAOYSA-N 0 3 578.760 5.041 50 0 KKAAHN CCCCOc1ccc([C@@](O)(CCC)[C@@H](CN2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426873 554508673 /nfs/dbraw/zinc/50/86/73/554508673.db2.gz ZGIIRWXTCHNSIL-NYDCQLBNSA-N 0 3 504.690 6.598 50 0 KKAAHN COc1ccc([C@@H]2CC(=O)[C@H]([C@H]3NCCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927459 554524751 /nfs/dbraw/zinc/52/47/51/554524751.db2.gz ZQUBRKJSKNTGGQ-OXCBMLQPSA-N 0 3 528.958 5.675 50 0 KKAAHN O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1NCCc2ccccc21 ZINC000100927864 554524932 /nfs/dbraw/zinc/52/49/32/554524932.db2.gz XCXCTADEDYBQGZ-BVCVKUKASA-N 0 3 512.997 5.094 50 0 KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H](c2cccs2)SCC1=O ZINC000101050707 554568713 /nfs/dbraw/zinc/56/87/13/554568713.db2.gz WYGNZGQGTAHKCC-MHZLTWQESA-N 0 3 566.152 5.101 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000101084567 554580294 /nfs/dbraw/zinc/58/02/94/554580294.db2.gz JKEBFQKITFQNHM-MPFGFTFXSA-N 0 3 565.423 6.913 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101141133 554653500 /nfs/dbraw/zinc/65/35/00/554653500.db2.gz VMRLDZUTROYXCR-FCEKVYKBSA-N 0 3 516.594 5.324 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000101179982 554666673 /nfs/dbraw/zinc/66/66/73/554666673.db2.gz YBBWWYMELMAGHI-JVPIYLDOSA-N 0 3 508.593 5.723 50 0 KKAAHN Cc1ccc(N2CCN(C[C@@H](O)Cn3c4ccc(Br)cc4c4cc(Br)ccc43)CC2)cc1 ZINC000101192236 554670846 /nfs/dbraw/zinc/67/08/46/554670846.db2.gz UNSLLAHCOQRCMB-JOCHJYFZSA-N 0 3 557.330 5.811 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000101192827 554671357 /nfs/dbraw/zinc/67/13/57/554671357.db2.gz MQOXZOSTXPFLGX-NHICWYPXSA-N 0 3 522.651 6.056 50 0 KKAAHN CN(CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202841 554673248 /nfs/dbraw/zinc/67/32/48/554673248.db2.gz KBLHILREQNVSSP-BIRRFFDLSA-N 0 3 625.597 5.054 50 0 biogenic KKAAHN Cc1cccc(CN(C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2CCCO2)c1 ZINC000101255899 554696776 /nfs/dbraw/zinc/69/67/76/554696776.db2.gz PCYPAXKKKZBVFE-LSYYVWMOSA-N 0 3 562.579 6.037 50 0 KKAAHN Cc1ccc([C@H]2c3ccsc3CCN2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000101341059 554735297 /nfs/dbraw/zinc/73/52/97/554735297.db2.gz QXXSAVXKVKGEHG-XJFCNFDWSA-N 0 3 579.832 5.613 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386105 554750948 /nfs/dbraw/zinc/75/09/48/554750948.db2.gz ABUUUEDBHBZQHV-CPBHLAHYSA-N 0 3 594.800 7.256 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)c(OC)c1 ZINC000101386137 554751197 /nfs/dbraw/zinc/75/11/97/554751197.db2.gz HGXJHCTXYDJYPU-FKAPRUDGSA-N 0 3 572.750 5.717 50 0 KKAAHN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)s2)cc1 ZINC000101447366 554774315 /nfs/dbraw/zinc/77/43/15/554774315.db2.gz BXRCEJWSZZPSEZ-UHFFFAOYSA-N 0 3 599.805 5.337 50 0 KKAAHN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC2CCN(Cc3ccccc3F)CC2)CC1 ZINC000101493566 554786316 /nfs/dbraw/zinc/78/63/16/554786316.db2.gz ZLVSAUWPXMMQQF-VAWYXSNFSA-N 0 3 594.753 5.030 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101618519 554806658 /nfs/dbraw/zinc/80/66/58/554806658.db2.gz ZMIGMFWBUIHALR-JSOSNVBQSA-N 0 3 556.776 5.296 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101618522 554806700 /nfs/dbraw/zinc/80/67/00/554806700.db2.gz ZMIGMFWBUIHALR-CONSDPRKSA-N 0 3 556.776 5.296 50 0 KKAAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000101661551 554821884 /nfs/dbraw/zinc/82/18/84/554821884.db2.gz WFFJKQLSEQIELF-XTEPFMGCSA-N 0 3 532.610 6.294 50 0 KKAAHN O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000101689407 554830451 /nfs/dbraw/zinc/83/04/51/554830451.db2.gz LDUGKCBIZOVDDS-ANYBSYGZSA-N 0 3 546.136 5.891 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101873746 554845707 /nfs/dbraw/zinc/84/57/07/554845707.db2.gz IAMAYLFUSUVQRQ-QVWWMRLHSA-N 0 3 559.154 6.124 50 0 KKAAHN Cc1ccnc(S[C@H]2C[C@@H](C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)N(Cc3cccc(Cl)c3)C2)n1 ZINC000101980657 554863618 /nfs/dbraw/zinc/86/36/18/554863618.db2.gz UQHAQILZMCLLIY-WEDAZTSRSA-N 0 3 566.215 5.143 50 0 KKAAHN COc1cccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c1OC ZINC000102079637 554875778 /nfs/dbraw/zinc/87/57/78/554875778.db2.gz QDUVGLSMEJDKNU-MUUNZHRXSA-N 0 3 553.703 6.348 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102099010 554880722 /nfs/dbraw/zinc/88/07/22/554880722.db2.gz QDWKNZACXBCBPP-LEAFIULHSA-N 0 3 562.598 7.738 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000102102963 554882035 /nfs/dbraw/zinc/88/20/35/554882035.db2.gz XFFPCSSFGXLHQG-HKBQPEDESA-N 0 3 604.235 7.088 50 0 KKAAHN COc1ccc(S[C@H]2C[C@@H](C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)N(Cc3c(F)cccc3Cl)C2)cc1 ZINC000102110690 554882593 /nfs/dbraw/zinc/88/25/93/554882593.db2.gz WCELIFPAHMUOKD-BLEYWPQWSA-N 0 3 598.228 6.192 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4c(F)cccc4F)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135961 554887766 /nfs/dbraw/zinc/88/77/66/554887766.db2.gz JACUDBMFMXBBPT-PXDATVDWSA-N 0 3 559.579 5.670 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000102174313 554891736 /nfs/dbraw/zinc/89/17/36/554891736.db2.gz SFJCXIYGNKXQLT-LOSJGSFVSA-N 0 3 556.625 5.599 50 0 KKAAHN CC(C)N(CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)Cc1ccccc1 ZINC000102232394 554900293 /nfs/dbraw/zinc/90/02/93/554900293.db2.gz CHSIMEXDAZOJAR-NVMPUMLXSA-N 0 3 563.673 6.433 50 0 KKAAHN Clc1ccc(CN2CCN(CCCCOc3ccc(/C=C/c4ccc5cc(Cl)ccc5n4)cc3)CC2)cc1 ZINC000102318241 554911582 /nfs/dbraw/zinc/91/15/82/554911582.db2.gz YDPIHPGBBHKTCX-LFYBBSHMSA-N 0 3 546.542 7.689 50 0 KKAAHN O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](NCc2ccccc2C(F)(F)F)CN1Cc1ccc(Cl)cc1 ZINC000102605020 554978444 /nfs/dbraw/zinc/97/84/44/554978444.db2.gz DSMZLPXHWSPGAU-ZCYQVOJMSA-N 0 3 560.016 5.179 50 0 KKAAHN COc1ccc(-n2ncc(C(=O)NCC3CCN(Cc4ccc(C)cc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102608090 554980046 /nfs/dbraw/zinc/98/00/46/554980046.db2.gz PCBDBMQEBGHLFO-UHFFFAOYSA-N 0 3 601.792 5.946 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@]3(C)C2=O)cc1Cl ZINC000102663016 555000987 /nfs/dbraw/zinc/00/09/87/555000987.db2.gz SGTAIIVFUJOSCB-SLSDLSHTSA-N 0 3 511.803 5.852 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102731906 555023776 /nfs/dbraw/zinc/02/37/76/555023776.db2.gz KQNQGMTYKQPGDF-RJGXRXQPSA-N 0 3 534.797 5.702 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102736665 555026141 /nfs/dbraw/zinc/02/61/41/555026141.db2.gz QIZQNSIJWGZAPB-PCCBWWKXSA-N 0 3 518.194 5.807 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102737333 555026738 /nfs/dbraw/zinc/02/67/38/555026738.db2.gz AWTMRMZOPKALKI-MPFGFTFXSA-N 0 3 534.568 5.274 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(OC)cc4)C(=O)N32)cc1 ZINC000102746901 555039938 /nfs/dbraw/zinc/03/99/38/555039938.db2.gz LXZKZRWEDINBLS-RRPNLBNLSA-N 0 3 583.714 5.073 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4OC)C(=O)N32)cc1 ZINC000102746944 555040092 /nfs/dbraw/zinc/04/00/92/555040092.db2.gz QTADCTXZAXBEOR-AHKZPQOWSA-N 0 3 583.714 5.073 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)cc1 ZINC000102753861 555045620 /nfs/dbraw/zinc/04/56/20/555045620.db2.gz WTJIPHOSJJPFAA-KWXIBIRDSA-N 0 3 549.410 6.703 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)c1 ZINC000102755294 555046965 /nfs/dbraw/zinc/04/69/65/555046965.db2.gz KHQGCGYRQIVSDU-UODIDJSMSA-N 0 3 519.384 6.613 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102757384 555049874 /nfs/dbraw/zinc/04/98/74/555049874.db2.gz YOUZGMQPDKYUSK-MPFGFTFXSA-N 0 3 530.621 5.714 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102763241 555053733 /nfs/dbraw/zinc/05/37/33/555053733.db2.gz HEIXCPSUDITZCJ-PWRODBHTSA-N 0 3 517.301 5.519 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000102768428 555056071 /nfs/dbraw/zinc/05/60/71/555056071.db2.gz ZAFDJCICHZAOBI-ZONZVBGPSA-N 0 3 515.396 6.712 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102884859 555114921 /nfs/dbraw/zinc/11/49/21/555114921.db2.gz MQTZMIAOJDTZAC-NLDZOOGBSA-N 0 3 585.454 6.088 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102886762 555117263 /nfs/dbraw/zinc/11/72/63/555117263.db2.gz VAQHQBSKIMNHHU-JFHPUIQFSA-N 0 3 576.630 5.659 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102888449 555121849 /nfs/dbraw/zinc/12/18/49/555121849.db2.gz KOCHPUKKFCJRIZ-HMYMNELBSA-N 0 3 550.655 5.682 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102890763 555126144 /nfs/dbraw/zinc/12/61/44/555126144.db2.gz XDHCAZPPMAKEJD-IEMSDXTESA-N 0 3 574.608 5.699 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102892646 555129052 /nfs/dbraw/zinc/12/90/52/555129052.db2.gz MNGDKBFIEHHTNZ-UBFVSLLYSA-N 0 3 574.247 7.611 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102929879 555156184 /nfs/dbraw/zinc/15/61/84/555156184.db2.gz VSRIDIVLSKGWGY-ZONZVBGPSA-N 0 3 595.460 5.812 50 0 KKAAHN CN(C)c1ccc(C2=NN(c3ccc(/C=C/c4ccc(-c5ncc(-c6ccccc6)o5)cc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000102936642 555164467 /nfs/dbraw/zinc/16/44/67/555164467.db2.gz XTCYTZQBJDEKDE-WPDYYXOHSA-N 0 3 586.739 9.601 50 0 KKAAHN COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CCN1CCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000102961465 555177179 /nfs/dbraw/zinc/17/71/79/555177179.db2.gz ZVMXCDIHJSEULA-RUZDIDTESA-N 0 3 583.154 5.545 50 0 KKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000103025132 555215507 /nfs/dbraw/zinc/21/55/07/555215507.db2.gz UBUGFDQTDHKARO-BHDDXSALSA-N 0 3 531.328 5.827 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@H](OCc3ccc(F)cc3)[C@@H]2O1 ZINC000103124836 555292762 /nfs/dbraw/zinc/29/27/62/555292762.db2.gz NWIYZRWWUWVYGA-DEJVGURISA-N 0 3 594.646 5.211 50 0 KKAAHN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000103159381 555320347 /nfs/dbraw/zinc/32/03/47/555320347.db2.gz AUXVSVOKUCWCRJ-MHZLTWQESA-N 0 3 517.699 5.092 50 0 KKAAHN O=C(c1cccnc1Cl)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN2CCN(c3ccccc3)CC2)C1 ZINC000103301596 555355811 /nfs/dbraw/zinc/35/58/11/555355811.db2.gz UCRAIYNHBOWGOB-OFVILXPXSA-N 0 3 529.006 5.432 50 0 KKAAHN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CCc3ccccc3)CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000103322934 555358663 /nfs/dbraw/zinc/35/86/63/555358663.db2.gz SUWYXWZUHFGCAW-UHFFFAOYSA-N 0 3 542.062 5.281 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccccc2C)cc1 ZINC000103371479 555367009 /nfs/dbraw/zinc/36/70/09/555367009.db2.gz NGASOUXKYSJPEM-HKBQPEDESA-N 0 3 588.177 5.657 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000103371405 555367084 /nfs/dbraw/zinc/36/70/84/555367084.db2.gz UTALXVGLSLOJFH-NDEPHWFRSA-N 0 3 580.179 5.410 50 0 KKAAHN CN(c1ccc(NC(=O)c2cccs2)cc1CN(C(=O)Nc1cccc(F)c1)C1CCCCC1)C1CCN(C)CC1 ZINC000103389513 555375725 /nfs/dbraw/zinc/37/57/25/555375725.db2.gz LWSFVCQDDRYXIE-UHFFFAOYSA-N 0 3 577.770 7.037 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103513311 555422681 /nfs/dbraw/zinc/42/26/81/555422681.db2.gz FNDYDIKFWGWYQF-LSBIRFPWSA-N 0 3 536.628 5.292 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103523659 555427680 /nfs/dbraw/zinc/42/76/80/555427680.db2.gz QEIGNHXEFMNDAG-JLMYGFKKSA-N 0 3 543.069 6.319 50 0 KKAAHN c1ccc(-c2ccc([C@@H](c3ccccc3)N3CCN([C@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)cc2)cc1 ZINC000103625593 555457642 /nfs/dbraw/zinc/45/76/42/555457642.db2.gz GPNHYCAEFDGVBC-NCRNUEESSA-N 0 3 570.780 9.517 50 0 KKAAHN COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148723177 562841695 /nfs/dbraw/zinc/84/16/95/562841695.db2.gz AILRADAXUVEEIR-UHFFFAOYSA-N 0 3 584.105 5.090 50 0 fda KKAAHN O=C(c1cccc(Br)c1)N1N[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21 ZINC000104784452 571386175 /nfs/dbraw/zinc/38/61/75/571386175.db2.gz FULGUTCIYVSNFL-NJYVYQBISA-N 0 3 579.665 5.669 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000105791416 571408548 /nfs/dbraw/zinc/40/85/48/571408548.db2.gz KYLSEIXLSCTXTH-KMDXXIMOSA-N 0 3 562.047 5.392 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000105863843 571409086 /nfs/dbraw/zinc/40/90/86/571409086.db2.gz YZRKFWBJWMWSRQ-IBUUTRAHSA-N 0 3 570.822 6.146 50 0 KKAAHN O=C(c1ccc(Cl)cc1Cl)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000106015166 571410294 /nfs/dbraw/zinc/41/02/94/571410294.db2.gz LTTLZXONYUPTKE-BYBRNZAOSA-N 0 3 571.485 6.911 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)c(OC)c3)[C@H]2C1=O ZINC000106020766 571410911 /nfs/dbraw/zinc/41/09/11/571410911.db2.gz ABUTVTDZNVYOHY-DYIKCSJPSA-N 0 3 564.594 5.364 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000108487092 571425980 /nfs/dbraw/zinc/42/59/80/571425980.db2.gz WOMIVVVCLHIQKL-WZRZXVJZSA-N 0 3 610.843 6.777 50 0 KKAAHN Clc1ccc2c(c1)C[C@H](S[C@H](CCN1CCN(Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800593 571426584 /nfs/dbraw/zinc/42/65/84/571426584.db2.gz 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/nfs/dbraw/zinc/45/06/27/571450627.db2.gz VTVNOTGYZLGYBT-OIFRRMEBSA-N 0 3 504.586 5.934 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000137883552 571450652 /nfs/dbraw/zinc/45/06/52/571450652.db2.gz YUSDUUYSSWYYRK-CCDWMCETSA-N 0 3 504.464 5.790 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000137816678 571450687 /nfs/dbraw/zinc/45/06/87/571450687.db2.gz KJVIXBVZEXEVAM-PCCBWWKXSA-N 0 3 508.188 6.351 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000137807943 571450691 /nfs/dbraw/zinc/45/06/91/571450691.db2.gz RLCNXIWLOUMWJM-IRFCIJBXSA-N 0 3 508.188 6.351 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000137838504 571450707 /nfs/dbraw/zinc/45/07/07/571450707.db2.gz PHZGVBIVILFIRP-YTCPBCGMSA-N 0 3 518.569 5.519 50 0 KKAAHN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150339056 571457254 /nfs/dbraw/zinc/45/72/54/571457254.db2.gz RAIBEZUVTIPFOJ-SHERYBNQSA-N 0 3 651.691 5.118 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150346630 571460625 /nfs/dbraw/zinc/46/06/25/571460625.db2.gz XFDMPGBBAKVYPR-BNHMMOKISA-N 0 3 648.852 5.970 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389005 571471334 /nfs/dbraw/zinc/47/13/34/571471334.db2.gz UBHPSDWMVZRWEN-UHFFFAOYSA-N 0 3 672.184 10.197 50 0 KKAAHN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150388981 571471367 /nfs/dbraw/zinc/47/13/67/571471367.db2.gz KFCKFDDPVZPKAH-UHFFFAOYSA-N 0 3 644.130 9.516 50 0 KKAAHN COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389078 571471430 /nfs/dbraw/zinc/47/14/30/571471430.db2.gz VUTJPERIXRUFIU-UHFFFAOYSA-N 0 3 699.763 8.888 50 0 KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1OC ZINC000150389045 571471490 /nfs/dbraw/zinc/47/14/90/571471490.db2.gz NXXNNGOVWCVDND-UHFFFAOYSA-N 0 3 676.128 8.916 50 0 KKAAHN COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150389208 571471663 /nfs/dbraw/zinc/47/16/63/571471663.db2.gz MEVLYIRINAHLLK-CAOOACKPSA-N 0 3 658.113 8.999 50 0 KKAAHN CC(C)(C)Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)OC(C)(C)C3=O)c2)c(CC(C)(C)C)c1 ZINC000150414886 571485334 /nfs/dbraw/zinc/48/53/34/571485334.db2.gz NHCSKLXMEDQTLR-PMERELPUSA-N 0 3 698.301 7.995 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccccc1I ZINC000150442992 571499211 /nfs/dbraw/zinc/49/92/11/571499211.db2.gz FDJLEYGRIBCKQC-UBFVSLLYSA-N 0 3 631.253 6.909 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccccc1I ZINC000150656760 571526948 /nfs/dbraw/zinc/52/69/48/571526948.db2.gz YIFRWDZXGTYRFT-ISJGIBHGSA-N 0 3 631.253 6.909 50 0 KKAAHN COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@@H]23)c1 ZINC000169679071 571556321 /nfs/dbraw/zinc/55/63/21/571556321.db2.gz YAFRJORLWKGUDR-BDYUSTAISA-N 0 3 509.572 5.258 50 0 KKAAHN O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000169679950 571556748 /nfs/dbraw/zinc/55/67/48/571556748.db2.gz CXPHXTMJGUBBCI-AKGWNBJDSA-N 0 3 522.645 5.915 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)N[C@@H](c3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 ZINC000215705056 571585037 /nfs/dbraw/zinc/58/50/37/571585037.db2.gz YZHCZWLUIAZWEZ-WKAQUBQDSA-N 0 3 526.023 8.397 50 0 KKAAHN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000299755489 572134948 /nfs/dbraw/zinc/13/49/48/572134948.db2.gz DMUARAYHMTUKQH-MHZLTWQESA-N 0 3 535.692 5.330 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cccc(Br)c1 ZINC000226831730 572142416 /nfs/dbraw/zinc/14/24/16/572142416.db2.gz LNFJRUBUMDHGKF-PCCBWWKXSA-N 0 3 528.200 5.263 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000226838711 572143599 /nfs/dbraw/zinc/14/35/99/572143599.db2.gz RXRRNGSZPYTQOJ-FQJHJXCSSA-N 0 3 503.385 5.556 50 0 KKAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000226922099 572145448 /nfs/dbraw/zinc/14/54/48/572145448.db2.gz TZKKNIYAEZJSNX-ALBQUZEBSA-N 0 3 537.040 6.258 50 0 KKAAHN O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226986330 572146789 /nfs/dbraw/zinc/14/67/89/572146789.db2.gz MAIWFRLTLAWYSJ-PCCBWWKXSA-N 0 3 572.857 5.910 50 0 KKAAHN O=c1sc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226986330 572146793 /nfs/dbraw/zinc/14/67/93/572146793.db2.gz MAIWFRLTLAWYSJ-PCCBWWKXSA-N 0 3 572.857 5.910 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227065223 572148049 /nfs/dbraw/zinc/14/80/49/572148049.db2.gz XDLGDMKLZCIDCX-ZGIBFIJWSA-N 0 3 552.558 5.413 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227065223 572148051 /nfs/dbraw/zinc/14/80/51/572148051.db2.gz XDLGDMKLZCIDCX-ZGIBFIJWSA-N 0 3 552.558 5.413 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227030619 572148387 /nfs/dbraw/zinc/14/83/87/572148387.db2.gz QRFDFRRFGPLMDF-DCMFLLSESA-N 0 3 570.601 6.119 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227084457 572149703 /nfs/dbraw/zinc/14/97/03/572149703.db2.gz FUWAYZYFEKSGHJ-FRXPANAUSA-N 0 3 589.475 7.022 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227085411 572149853 /nfs/dbraw/zinc/14/98/53/572149853.db2.gz NGPGDNUELGEEOY-GXIQWAOMSA-N 0 3 550.655 5.601 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227236676 572151849 /nfs/dbraw/zinc/15/18/49/572151849.db2.gz XDHCAZPPMAKEJD-UIUKDCGCSA-N 0 3 574.608 5.699 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227242570 572152733 /nfs/dbraw/zinc/15/27/33/572152733.db2.gz ULZKVTIAJPOSSB-FRXPANAUSA-N 0 3 599.481 6.478 50 0 KKAAHN CCOC(=O)c1sc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c(C(=O)OC)c1C ZINC000229865076 572162244 /nfs/dbraw/zinc/16/22/44/572162244.db2.gz MVJZENSCQPGAAN-OYUWMTPXSA-N 0 3 640.670 5.290 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 ZINC000229887780 572165072 /nfs/dbraw/zinc/16/50/72/572165072.db2.gz ZFGXHEBNHOAKJH-XYIJYTLJSA-N 0 3 558.609 6.081 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000229887780 572165076 /nfs/dbraw/zinc/16/50/76/572165076.db2.gz ZFGXHEBNHOAKJH-XYIJYTLJSA-N 0 3 558.609 6.081 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229924975 572170465 /nfs/dbraw/zinc/17/04/65/572170465.db2.gz RFPUSBURMCLQQW-KVOHOPFUSA-N 0 3 590.701 6.320 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000229944840 572172681 /nfs/dbraw/zinc/17/26/81/572172681.db2.gz UJKPEIUPKIPDQJ-OJDZSJEKSA-N 0 3 562.622 6.136 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000230033306 572180678 /nfs/dbraw/zinc/18/06/78/572180678.db2.gz AOSBVAHWYYJNOM-ISJGIBHGSA-N 0 3 526.511 5.815 50 0 KKAAHN COc1ccc([C@H](C)N(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000245224677 572202440 /nfs/dbraw/zinc/20/24/40/572202440.db2.gz BGILIDOZSPNEAV-HLFUORHDSA-N 0 3 577.737 6.108 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000245238427 572211928 /nfs/dbraw/zinc/21/19/28/572211928.db2.gz NVSQTSPYGFBEPW-TWJOJJKGSA-N 0 3 530.646 5.472 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000245239910 572213544 /nfs/dbraw/zinc/21/35/44/572213544.db2.gz GXIJCBIMSSQPFG-OVDFTCDZSA-N 0 3 537.040 6.258 50 0 KKAAHN O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000245245614 572217992 /nfs/dbraw/zinc/21/79/92/572217992.db2.gz FBSHMUUKVBFUCM-OZNIXHKMSA-N 0 3 555.428 6.079 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000245245614 572217994 /nfs/dbraw/zinc/21/79/94/572217994.db2.gz FBSHMUUKVBFUCM-OZNIXHKMSA-N 0 3 555.428 6.079 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C1=O ZINC000245246435 572219407 /nfs/dbraw/zinc/21/94/07/572219407.db2.gz LRQBUERZYYWJBX-JCYYIGJDSA-N 0 3 575.042 5.467 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245246773 572219961 /nfs/dbraw/zinc/21/99/61/572219961.db2.gz NGGKXOFXRQGIRE-NBJHOTSESA-N 0 3 546.648 6.003 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCCCC)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000245247241 572220714 /nfs/dbraw/zinc/22/07/14/572220714.db2.gz SMGNYNJBBTYXOB-MJSOWUPRSA-N 0 3 558.675 6.494 50 0 KKAAHN CC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245309650 572227624 /nfs/dbraw/zinc/22/76/24/572227624.db2.gz DTRNDXUFWWURGR-DYIKCSJPSA-N 0 3 518.569 5.519 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245309387 572227677 /nfs/dbraw/zinc/22/76/77/572227677.db2.gz CKXIUWLCPFUSTG-QEETYVBOSA-N 0 3 536.678 6.364 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000245310063 572228179 /nfs/dbraw/zinc/22/81/79/572228179.db2.gz GYFODTYWKZNASI-UJTWYAIMSA-N 0 3 544.673 5.737 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000245310432 572228710 /nfs/dbraw/zinc/22/87/10/572228710.db2.gz JIKZPGGKQQGBMI-CILKRHGOSA-N 0 3 546.026 5.981 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[C@H]3C2=O)c1 ZINC000245312321 572229903 /nfs/dbraw/zinc/22/99/03/572229903.db2.gz UDLZVMLPKSEDRB-FULLSBAXSA-N 0 3 512.650 6.347 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312624 572230169 /nfs/dbraw/zinc/23/01/69/572230169.db2.gz WOOBXIQFTGUXPE-AOFBEVEVSA-N 0 3 541.607 5.336 50 0 KKAAHN CC(C)N(C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245326636 572232883 /nfs/dbraw/zinc/23/28/83/572232883.db2.gz GPYPMTXZOSLUGD-RDGATRHJSA-N 0 3 534.544 6.889 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4cc(Br)ccc4OC)[C@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000245328150 572234435 /nfs/dbraw/zinc/23/44/35/572234435.db2.gz SKWSTHUBXPHTHA-NEGKNNBRSA-N 0 3 653.595 6.508 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245327795 572234510 /nfs/dbraw/zinc/23/45/10/572234510.db2.gz RFPUSBURMCLQQW-ZPNDBRHUSA-N 0 3 590.701 6.320 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000247851431 572246288 /nfs/dbraw/zinc/24/62/88/572246288.db2.gz JACJOPKJWBWRCX-ALBQUZEBSA-N 0 3 502.595 5.604 50 0 KKAAHN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4C[C@@H](C)N(Cc5ccccc5)[C@@H](C)C4)C3)nc3ccccc32)cc1 ZINC000247878536 572247730 /nfs/dbraw/zinc/24/77/30/572247730.db2.gz IESVWSXTVWCJGT-DURBRWELSA-N 0 3 565.762 5.427 50 0 KKAAHN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247894694 572248799 /nfs/dbraw/zinc/24/87/99/572248799.db2.gz OCURNWWJNVRTRC-MGBGTMOVSA-N 0 3 613.806 6.239 50 0 KKAAHN CC[C@H](C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248084254 572253276 /nfs/dbraw/zinc/25/32/76/572253276.db2.gz KJVJFTYMPTXSBF-SETSBSEESA-N 0 3 515.723 5.259 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248117458 572254121 /nfs/dbraw/zinc/25/41/21/572254121.db2.gz VZINKNLPTWCSJS-FREGXXQWSA-N 0 3 519.104 7.478 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3ccccc3OC)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248154744 572255787 /nfs/dbraw/zinc/25/57/87/572255787.db2.gz YGUOXEUPVQIVIQ-SMCANUKXSA-N 0 3 512.694 6.138 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248342231 572258570 /nfs/dbraw/zinc/25/85/70/572258570.db2.gz XURFVSLLBIIBID-NBJHOTSESA-N 0 3 546.648 6.003 50 0 KKAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000252478388 572261517 /nfs/dbraw/zinc/26/15/17/572261517.db2.gz AKYGIRKSPOKRIT-MHZLTWQESA-N 0 3 586.699 5.783 50 0 KKAAHN CCCCOc1ccc([C@](O)(Cc2ccccc2)[C@@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734107 1069836930 /nfs/dbraw/zinc/83/69/30/1069836930.db2.gz XKLRAYLCHHZTLR-ZGAWMTGXSA-N 0 3 592.780 6.626 50 0 KKAAHN O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575443602 1071143646 /nfs/dbraw/zinc/14/36/46/1071143646.db2.gz WKRITZKUXUPOBS-UHFFFAOYSA-N 0 3 540.132 7.267 50 0 KKAAHN CN(Cc1cccs1)Cc1cccc(OCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000012054965 1071216361 /nfs/dbraw/zinc/21/63/61/1071216361.db2.gz KNEZMXLRIJRJDB-UHFFFAOYSA-N 0 3 517.617 5.236 50 0 KKAAHN C[C@@H](NCc1cc2cc3c(cc2nc1N1CCN(c2cccc(Cl)c2)CC1)OCO3)c1cccs1 ZINC000012246977 1071239941 /nfs/dbraw/zinc/23/99/41/1071239941.db2.gz FCCZQWUDXSQTHR-GOSISDBHSA-N 0 3 507.059 5.856 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2ccccc2)c1)Cc1cccc2cccnc21 ZINC000014997683 1071246770 /nfs/dbraw/zinc/24/67/70/1071246770.db2.gz YAIHBDBLJCKCOO-SSEXGKCCSA-N 0 3 507.678 6.260 50 0 KKAAHN CC(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5ncc(C(F)(F)F)cc5Cl)CC4)CC3)nc21 ZINC000618256151 1071277942 /nfs/dbraw/zinc/27/79/42/1071277942.db2.gz FJJGUFVHDMRENA-UHFFFAOYSA-N 0 3 548.009 5.014 50 0 KKAAHN CC(C)(C)C(=O)Oc1cccc2ccc(CN3CCC(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)nc21 ZINC000618255863 1071278070 /nfs/dbraw/zinc/27/80/70/1071278070.db2.gz ASUCVJGSXAZELN-UHFFFAOYSA-N 0 3 555.645 5.387 50 0 KKAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)CN(Cc2ccncc2)C1 ZINC000200584979 1071290340 /nfs/dbraw/zinc/29/03/40/1071290340.db2.gz QKHQRCMSUJTWIR-URLMMPGGSA-N 0 3 518.661 5.117 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Br)cc5)o4)[C@H]3C2=O)cc1 ZINC000102758495 193917862 /nfs/dbraw/zinc/91/78/62/193917862.db2.gz VPGWVCQZJPOUKZ-UODIDJSMSA-N 0 3 529.390 6.069 50 0 KKAAHN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCN(C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719918 551536555 /nfs/dbraw/zinc/53/65/55/551536555.db2.gz COUQSWZIKUJZCY-GKABECNOSA-N 0 3 573.660 5.143 50 0 KKAAHN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C5C6CC7CC(C6)CC5C7)CC4)cc3N2)cc1OC ZINC000000719920 551536634 /nfs/dbraw/zinc/53/66/34/551536634.db2.gz COUQSWZIKUJZCY-HVXDHRIDSA-N 0 3 573.660 5.143 50 0 KKAAHN COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000001304569 551638496 /nfs/dbraw/zinc/63/84/96/551638496.db2.gz QTIPIEDCOGDDPQ-BDTNDASRSA-N 0 3 530.886 5.197 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000001424749 551669273 /nfs/dbraw/zinc/66/92/73/551669273.db2.gz SCXOKRYRXXXEEK-NJDAHSKKSA-N 0 3 518.194 5.807 50 0 KKAAHN COc1ccc(N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001783729 551698779 /nfs/dbraw/zinc/69/87/79/551698779.db2.gz YSLRPKZZQWXJGE-GDLZYMKVSA-N 0 3 530.690 5.262 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001815585 551707527 /nfs/dbraw/zinc/70/75/27/551707527.db2.gz UISUCNIPNWDEOI-SXLOSVNLSA-N 0 3 570.645 6.869 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000001833398 551711982 /nfs/dbraw/zinc/71/19/82/551711982.db2.gz CJPYDAUMPBKTBW-HKBQPEDESA-N 0 3 508.593 6.709 50 0 biogenic KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000001875728 551722131 /nfs/dbraw/zinc/72/21/31/551722131.db2.gz BXXVVYZUTAEBKP-CYXNTTPDSA-N 0 3 551.437 5.688 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001875635 551722156 /nfs/dbraw/zinc/72/21/56/551722156.db2.gz DEWWSCGSCXXTIC-FCEKVYKBSA-N 0 3 589.431 6.272 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000001878252 551723430 /nfs/dbraw/zinc/72/34/30/551723430.db2.gz AJACMJRKDCTOFA-CYXNTTPDSA-N 0 3 551.437 5.688 50 0 KKAAHN CCc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002108199 551765326 /nfs/dbraw/zinc/76/53/26/551765326.db2.gz WWKSSKMFLAIPSI-UHFFFAOYSA-N 0 3 528.494 6.621 50 0 KKAAHN CC(C)c1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000002108150 551765357 /nfs/dbraw/zinc/76/53/57/551765357.db2.gz FMYVLCYXLSNLQR-UHFFFAOYSA-N 0 3 542.521 7.182 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000002199589 551792477 /nfs/dbraw/zinc/79/24/77/551792477.db2.gz UPDAUNONDMLKSA-DSNGMDLFSA-N 0 3 523.347 6.444 50 0 KKAAHN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(SCCN2CCCCC2)n1 ZINC000002400830 552111500 /nfs/dbraw/zinc/11/15/00/552111500.db2.gz IGABJPBWOQKHFW-UHFFFAOYSA-N 0 3 545.800 5.227 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002419879 552115628 /nfs/dbraw/zinc/11/56/28/552115628.db2.gz AZTWLJFHYAFNLG-VJGNERBWSA-N 0 3 524.960 5.610 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000002431525 552118060 /nfs/dbraw/zinc/11/80/60/552118060.db2.gz KMBZLXQMZZLFQE-DSNGMDLFSA-N 0 3 533.353 5.899 50 0 KKAAHN COc1cc([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000002654159 552147996 /nfs/dbraw/zinc/14/79/96/552147996.db2.gz YKDGTSAUMCIKQF-HLADLETHSA-N 0 3 563.019 8.252 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968381 552240483 /nfs/dbraw/zinc/24/04/83/552240483.db2.gz VGYQUYXYPKSDEC-BJKOFHAPSA-N 0 3 578.069 5.295 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3cc(F)ccc3F)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034071 552268523 /nfs/dbraw/zinc/26/85/23/552268523.db2.gz FPDAFXXCJALHBI-UHFFFAOYSA-N 0 3 548.706 5.899 50 0 KKAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059532 552281806 /nfs/dbraw/zinc/28/18/06/552281806.db2.gz LFVVKASEIAJBHO-DCVRHQNFSA-N 0 3 530.068 5.911 50 0 KKAAHN O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000003205911 552304534 /nfs/dbraw/zinc/30/45/34/552304534.db2.gz ZFCISOLEDSXKAK-LJAQVGFWSA-N 0 3 506.473 7.163 50 0 KKAAHN COc1ccc([C@H](CNC(=O)c2c3ccccc3nc3c2CN(Cc2ccccc2)CC3)N2CCCC2)cc1 ZINC000003504462 552390683 /nfs/dbraw/zinc/39/06/83/552390683.db2.gz GGSSFDMKZUJVAA-HKBQPEDESA-N 0 3 520.677 5.369 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccc(OC(C)C)cc4)ccc3nc3c2CCCC3)cc1OC ZINC000003646088 552401738 /nfs/dbraw/zinc/40/17/38/552401738.db2.gz IQXFEASQZULNDK-WOJGMQOQSA-N 0 3 537.660 7.314 50 0 KKAAHN C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003816514 552418646 /nfs/dbraw/zinc/41/86/46/552418646.db2.gz FIVSJYGQAIEMOC-ZGNKEGEESA-N 0 3 500.483 5.730 50 0 fda KKAAHN COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000003973276 552424184 /nfs/dbraw/zinc/42/41/84/552424184.db2.gz NNBGCSGCRSCFEA-UHFFFAOYSA-N 0 3 735.819 8.397 50 0 investigational KKAAHN Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166787 552556966 /nfs/dbraw/zinc/55/69/66/552556966.db2.gz JNQYYBDKZWXQRZ-UHFFFAOYSA-N 0 3 630.103 9.208 50 0 KKAAHN CCCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN(CC)CC)C(=O)c2ccc(OCCC)cc2)CN(CC)CC)cc1 ZINC000006500684 552595956 /nfs/dbraw/zinc/59/59/56/552595956.db2.gz DVTJRQQHSBYSKM-ACHIHNKUSA-N 0 3 580.854 7.806 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CCCC[C@H](CN(CC)CC)C(=O)c2ccc(OCCC)cc2)CN(CC)CC)cc1 ZINC000006500701 552595980 /nfs/dbraw/zinc/59/59/80/552595980.db2.gz DVTJRQQHSBYSKM-ROJLCIKYSA-N 0 3 580.854 7.806 50 0 KKAAHN CCN(CC)c1ccc([C@@H]2c3ccccc3C(=O)SC3=C2CC(C)(C)CN3C(=N)Nc2ccccc2)cc1 ZINC000008385433 552990799 /nfs/dbraw/zinc/99/07/99/552990799.db2.gz WBZLNHWSJZSGKL-MUUNZHRXSA-N 0 3 524.734 7.542 50 0 KKAAHN O=C(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000008385617 552991153 /nfs/dbraw/zinc/99/11/53/552991153.db2.gz PBFCVRVFRZFVES-BHVANESWSA-N 0 3 544.764 7.876 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCN(c2ccccn2)CC1 ZINC000008397009 552995973 /nfs/dbraw/zinc/99/59/73/552995973.db2.gz HUQZVZVBAHOFTA-NDEPHWFRSA-N 0 3 502.662 5.862 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000008593358 553085540 /nfs/dbraw/zinc/08/55/40/553085540.db2.gz UJBLSVRWHVOKDW-UHFFFAOYSA-N 0 3 593.127 5.308 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000008696043 553125529 /nfs/dbraw/zinc/12/55/29/553125529.db2.gz LDWYSZQCVJPLQB-CYTLCNBWSA-N 0 3 593.772 6.142 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000008696048 553125598 /nfs/dbraw/zinc/12/55/98/553125598.db2.gz ZQXVFZVLCKCNRN-DLFZDVPBSA-N 0 3 555.767 5.766 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000008696044 553125613 /nfs/dbraw/zinc/12/56/13/553125613.db2.gz IRTMCEUDIVAEBN-KAODMTDESA-N 0 3 606.815 6.199 50 0 KKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000008743267 553133522 /nfs/dbraw/zinc/13/35/22/553133522.db2.gz TUUUWFPTILVKEV-AREMUKBSSA-N 0 3 502.456 6.472 50 0 KKAAHN CCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000008743266 553133619 /nfs/dbraw/zinc/13/36/19/553133619.db2.gz TUUUWFPTILVKEV-SANMLTNESA-N 0 3 502.456 6.472 50 0 KKAAHN CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN(CC)CC)cc1OCC ZINC000009043496 553202924 /nfs/dbraw/zinc/20/29/24/553202924.db2.gz YAWFXTKEAKVJQG-VWLOTQADSA-N 0 3 512.691 5.292 50 0 biogenic KKAAHN COc1ccc(C(=O)[C@@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000009046803 553204259 /nfs/dbraw/zinc/20/42/59/553204259.db2.gz WUCCTPWXHXLLMT-NSOVKSMOSA-N 0 3 520.714 5.754 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009109956 553210132 /nfs/dbraw/zinc/21/01/32/553210132.db2.gz RXRRNGSZPYTQOJ-KALPRAJFSA-N 0 3 503.385 5.556 50 0 KKAAHN COc1ccc(OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000009242896 553226573 /nfs/dbraw/zinc/22/65/73/553226573.db2.gz ARMKPQATMMTKEV-DEOSSOPVSA-N 0 3 506.522 5.085 50 0 KKAAHN COc1ccc(OCc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccco2)cc1 ZINC000009242895 553226608 /nfs/dbraw/zinc/22/66/08/553226608.db2.gz ARMKPQATMMTKEV-XMMPIXPASA-N 0 3 506.522 5.085 50 0 KKAAHN Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)COc5cc(C)ccc5C(C)C)ccc4n3C)CC2)cc1 ZINC000009293094 553235308 /nfs/dbraw/zinc/23/53/08/553235308.db2.gz DFWJTHKMEDZOGH-UHFFFAOYSA-N 0 3 539.724 5.696 50 0 KKAAHN CN(C)CCNc1nc(SCc2ccccc2)nc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4 ZINC000009425302 553259318 /nfs/dbraw/zinc/25/93/18/553259318.db2.gz ZDIYRDLPLLQDFH-UHFFFAOYSA-N 0 3 511.720 6.661 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009433194 553262970 /nfs/dbraw/zinc/26/29/70/553262970.db2.gz SDOFMFCDEVRPSV-NSOVKSMOSA-N 0 3 501.696 5.466 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009433320 553263109 /nfs/dbraw/zinc/26/31/09/553263109.db2.gz NQXXNRNWPQCWOE-WDYNHAJCSA-N 0 3 533.738 6.229 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009461960 553267952 /nfs/dbraw/zinc/26/79/52/553267952.db2.gz MLADYYQGAXHTPF-OAQYLSRUSA-N 0 3 509.275 6.502 50 0 KKAAHN CN(C)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl ZINC000009581936 553282246 /nfs/dbraw/zinc/28/22/46/553282246.db2.gz XGRIWTBEZBBMPY-MHZLTWQESA-N 0 3 521.448 5.365 50 0 KKAAHN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000009609698 553287859 /nfs/dbraw/zinc/28/78/59/553287859.db2.gz GLTCLTLKDWTBCZ-UHFFFAOYSA-N 0 3 513.661 5.156 50 0 KKAAHN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCN3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000009610206 553288290 /nfs/dbraw/zinc/28/82/90/553288290.db2.gz ZNMSYJFZUIVQKQ-UHFFFAOYSA-N 0 3 509.698 5.349 50 0 KKAAHN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(C)c12 ZINC000009610287 553288341 /nfs/dbraw/zinc/28/83/41/553288341.db2.gz XGLONXGEQZKKIL-UHFFFAOYSA-N 0 3 509.698 5.676 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678458 553295557 /nfs/dbraw/zinc/29/55/57/553295557.db2.gz UIUUVXYBEXUDED-UHFFFAOYSA-N 0 3 510.034 5.616 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccc(Br)o4)ccc3nc3c2CCCC3)cc1OC ZINC000009777108 553306731 /nfs/dbraw/zinc/30/67/31/553306731.db2.gz LORFHNAQDNGKEO-UHFFFAOYSA-N 0 3 522.399 6.482 50 0 KKAAHN CN(Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000011783573 553342443 /nfs/dbraw/zinc/34/24/43/553342443.db2.gz XYIKLXRXLXKSGR-UHFFFAOYSA-N 0 3 569.649 6.118 50 0 KKAAHN Cc1ccsc1C(=O)N1CCCC[C@@H]1CCOc1ccc(CN(C)Cc2cccc3ncccc23)cc1 ZINC000011909869 553348654 /nfs/dbraw/zinc/34/86/54/553348654.db2.gz PWEYKJDXKJDBOG-AREMUKBSSA-N 0 3 513.707 6.701 50 0 KKAAHN Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2cccc(CN(C)Cc3ccc4ncccc4c3)c2)C1 ZINC000012151869 553352437 /nfs/dbraw/zinc/35/24/37/553352437.db2.gz ITONSCGIAQEFFE-SANMLTNESA-N 0 3 512.654 5.332 50 0 KKAAHN COc1cc2nc(SCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000012856198 553422482 /nfs/dbraw/zinc/42/24/82/553422482.db2.gz XYZLUZUVCXDWME-LJQANCHMSA-N 0 3 545.505 6.289 50 0 KKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1oc2ccccc2c1COc1ccccc1 ZINC000013112902 553448448 /nfs/dbraw/zinc/44/84/48/553448448.db2.gz FSMQHQGANRXCGW-UHFFFAOYSA-N 0 3 517.629 6.586 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013769143 553489223 /nfs/dbraw/zinc/48/92/23/553489223.db2.gz LHOFLAMJQVVUJR-UBFVSLLYSA-N 0 3 515.363 5.760 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000013776348 553490085 /nfs/dbraw/zinc/49/00/85/553490085.db2.gz PFQCQWMNQSYIRF-NXCFDTQHSA-N 0 3 506.986 5.579 50 0 KKAAHN O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319056 553531476 /nfs/dbraw/zinc/53/14/76/553531476.db2.gz AJIOITYREKUSHL-AOWZQLQLSA-N 0 3 531.598 5.409 50 0 KKAAHN O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015319053 553531495 /nfs/dbraw/zinc/53/14/95/553531495.db2.gz AJIOITYREKUSHL-VIVKUPLDSA-N 0 3 531.598 5.409 50 0 KKAAHN Cc1cccc(NC(=O)c2c(NC(=O)CNCCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015946750 553544716 /nfs/dbraw/zinc/54/47/16/553544716.db2.gz GNCZTSGCXUIPDV-JOCHJYFZSA-N 0 3 503.712 6.231 50 0 KKAAHN C[C@@H](NCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccccc1 ZINC000015946933 553544870 /nfs/dbraw/zinc/54/48/70/553544870.db2.gz VLWKWROORICRID-MRXNPFEDSA-N 0 3 512.473 5.931 50 0 KKAAHN COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000017838072 553600308 /nfs/dbraw/zinc/60/03/08/553600308.db2.gz WYUHGIYAMHANNI-BDTNDASRSA-N 0 3 513.775 5.162 50 0 KKAAHN O=C(c1ccccn1)C1[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000070672875 553603135 /nfs/dbraw/zinc/60/31/35/553603135.db2.gz HRHXHMJILBVTSX-FFAHVWSXSA-N 0 3 531.999 5.591 50 0 biogenic KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018178108 553607469 /nfs/dbraw/zinc/60/74/69/553607469.db2.gz QVOCJQGIFZXWSY-JBOQNHBVSA-N 0 3 522.601 6.078 50 0 KKAAHN CCOc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c4ccccc4[nH]c32)cc1OC ZINC000070691528 553608107 /nfs/dbraw/zinc/60/81/07/553608107.db2.gz WADOIMMPVHVVND-UHFFFAOYSA-N 0 3 534.660 6.185 50 0 biogenic KKAAHN FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2n1 ZINC000020218690 553614377 /nfs/dbraw/zinc/61/43/77/553614377.db2.gz OZVSHKMTIDGDBD-UHFFFAOYSA-N 0 3 516.489 6.579 50 0 KKAAHN CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 ZINC000072105034 553640333 /nfs/dbraw/zinc/64/03/33/553640333.db2.gz QADPYRIHXKWUSV-UHFFFAOYSA-N 0 3 560.486 5.354 50 0 investigational KKAAHN COc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc(OC)c1OC ZINC000020386602 553644003 /nfs/dbraw/zinc/64/40/03/553644003.db2.gz NIIMPCVNCFEEPU-NRFANRHFSA-N 0 3 526.703 5.852 50 0 KKAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020412832 553647478 /nfs/dbraw/zinc/64/74/78/553647478.db2.gz GTWYLOFMZBQMMT-UUEOAETPSA-N 0 3 520.664 6.130 50 0 biogenic KKAAHN COc1ccc(/C=C2\CN(Cc3ccccc3)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020038089 553667899 /nfs/dbraw/zinc/66/78/99/553667899.db2.gz ZGMYKCLMCYAYHD-ZSIILREHSA-N 0 3 515.657 6.837 50 0 KKAAHN CN(CCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)CCc1ccccc1 ZINC000020726427 553690259 /nfs/dbraw/zinc/69/02/59/553690259.db2.gz JOLGBOAINDTCKZ-XHPQRKPJSA-N 0 3 506.071 5.111 50 0 KKAAHN CC(C)N(CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020727063 553690690 /nfs/dbraw/zinc/69/06/90/553690690.db2.gz CNOXGLRPBGQLCZ-IMRQLAEWSA-N 0 3 520.098 5.847 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CC[C@H](CN2CCCCC2)C(=O)c2ccc(OCCC)cc2)CN2CCCCC2)cc1 ZINC000095785622 553713189 /nfs/dbraw/zinc/71/31/89/553713189.db2.gz QTPUABBGOFNODG-ROJLCIKYSA-N 0 3 576.822 7.314 50 0 KKAAHN CCOc1ccc(C(=O)[C@@H](CC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCC2)cc1 ZINC000095785627 553713271 /nfs/dbraw/zinc/71/32/71/553713271.db2.gz YVTKTAFHZHUQOU-KYJUHHDHSA-N 0 3 548.768 6.534 50 0 KKAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000096189814 553727167 /nfs/dbraw/zinc/72/71/67/553727167.db2.gz ZBOLDFALAJJQAG-QVWWMRLHSA-N 0 3 510.081 6.216 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1)NCCN1CCCC1 ZINC000096275465 553732539 /nfs/dbraw/zinc/73/25/39/553732539.db2.gz ASVORZDZWZNDMU-MHZLTWQESA-N 0 3 519.611 6.442 50 0 KKAAHN Fc1ccc(-c2cc3ccccc3n2CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022454854 553742754 /nfs/dbraw/zinc/74/27/54/553742754.db2.gz QJFINKUEPGZEDB-UHFFFAOYSA-N 0 3 503.665 7.245 50 0 KKAAHN CCOC(=O)[C@H]1C[C@H]1CN1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659974 553748852 /nfs/dbraw/zinc/74/88/52/553748852.db2.gz YJVBXGFMMSQTKM-DHLKQENFSA-N 0 3 505.486 5.306 50 0 KKAAHN CCN1CCN(CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4C)C3=O)cc2)CC1 ZINC000022947465 553768376 /nfs/dbraw/zinc/76/83/76/553768376.db2.gz YOYUMQYGKMEWJR-JBASAIQMSA-N 0 3 540.733 5.042 50 0 KKAAHN COC(=O)CCCCC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023428979 553775377 /nfs/dbraw/zinc/77/53/77/553775377.db2.gz BLJVCZMIMSXTPA-UHFFFAOYSA-N 0 3 530.591 5.223 50 0 KKAAHN O=C(Cc1ccccc1)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023458978 553785036 /nfs/dbraw/zinc/78/50/36/553785036.db2.gz ACTTUQACEUUGSQ-UHFFFAOYSA-N 0 3 506.572 5.733 50 0 KKAAHN Clc1ccc(OCCN(CCOc2ccc(Cl)cc2Cl)CCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000097950567 553804748 /nfs/dbraw/zinc/80/47/48/553804748.db2.gz DQTLUQKGKCCDRY-UHFFFAOYSA-N 0 3 584.154 8.446 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000097954079 553821202 /nfs/dbraw/zinc/82/12/02/553821202.db2.gz HMGCWYIVECWVQW-UBFVSLLYSA-N 0 3 539.802 6.958 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000097954487 553823521 /nfs/dbraw/zinc/82/35/21/553823521.db2.gz UUZJMAIIODEPQS-IARZGTGTSA-N 0 3 538.531 5.105 50 0 KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000030726840 553855711 /nfs/dbraw/zinc/85/57/11/553855711.db2.gz DFOCUWZXJBAUSQ-URLMMPGGSA-N 0 3 608.735 6.859 50 0 biogenic,in-vitro KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671773 553982341 /nfs/dbraw/zinc/98/23/41/553982341.db2.gz OMRZNGCHKCPVCX-CZNDPXEESA-N 0 3 522.664 6.756 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671714 553982486 /nfs/dbraw/zinc/98/24/86/553982486.db2.gz UABWLVIVSKWJTJ-JHOUSYSJSA-N 0 3 522.664 6.756 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671764 553982688 /nfs/dbraw/zinc/98/26/88/553982688.db2.gz OMRZNGCHKCPVCX-LQJZCPKCSA-N 0 3 522.664 6.756 50 0 KKAAHN CC[C@@H](C(=O)Nc1ccc(N2CCCN(Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1 ZINC000034681884 553985570 /nfs/dbraw/zinc/98/55/70/553985570.db2.gz BGXIWZFATUKMDG-WJOKGBTCSA-N 0 3 520.677 6.719 50 0 KKAAHN O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000034685561 553987111 /nfs/dbraw/zinc/98/71/11/553987111.db2.gz CXPHXTMJGUBBCI-IUDBTDONSA-N 0 3 522.645 5.915 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)C4CCCC4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698107 553991051 /nfs/dbraw/zinc/99/10/51/553991051.db2.gz CNFGSVWYBVOVGZ-YIXXDRMTSA-N 0 3 515.620 5.268 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697685 553991267 /nfs/dbraw/zinc/99/12/67/553991267.db2.gz BFUDEVFTBRJZIS-YIXXDRMTSA-N 0 3 511.563 5.523 50 0 KKAAHN Cc1cc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)oc1C ZINC000034699165 553992309 /nfs/dbraw/zinc/99/23/09/553992309.db2.gz RUPCVIAPEOZQPW-HOFKKMOUSA-N 0 3 516.579 6.821 50 0 KKAAHN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3scc(-c4ccccc4)c3c(=O)n1-c1ccccc1)C(C)(C)NC(C)(C)C2 ZINC000097982553 554003447 /nfs/dbraw/zinc/00/34/47/554003447.db2.gz RZDBISPGJNQJKA-UHFFFAOYSA-N 0 3 658.871 7.243 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn2cc(-c3ccc(Oc4ccccc4)cc3)ccc2n1 ZINC000034831107 554016948 /nfs/dbraw/zinc/01/69/48/554016948.db2.gz OBXLVWZPOQXOLB-UHFFFAOYSA-N 0 3 502.618 6.188 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1 ZINC000034832759 554018031 /nfs/dbraw/zinc/01/80/31/554018031.db2.gz SSTWIIHHSMKSFJ-UHFFFAOYSA-N 0 3 505.597 5.597 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(COc5ccc(C)cc5)nc4c32)cc1OC ZINC000098000296 554049841 /nfs/dbraw/zinc/04/98/41/554049841.db2.gz GVFHLUMBDGBFFO-MUUNZHRXSA-N 0 3 560.614 5.809 50 0 KKAAHN O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCCN1CCCC1 ZINC000035471942 554056182 /nfs/dbraw/zinc/05/61/82/554056182.db2.gz ODZSWPJPXMVVBV-MHZLTWQESA-N 0 3 504.049 6.216 50 0 KKAAHN CN(C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H](c2ccc(F)cc2F)SCC1=O ZINC000098011075 554077149 /nfs/dbraw/zinc/07/71/49/554077149.db2.gz XQAKYQDCKISMPS-GDLZYMKVSA-N 0 3 596.103 5.318 50 0 KKAAHN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CCC ZINC000035842624 554081110 /nfs/dbraw/zinc/08/11/10/554081110.db2.gz PHKMYNFGOVKARF-MUUNZHRXSA-N 0 3 505.747 6.300 50 0 KKAAHN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000035908057 554092386 /nfs/dbraw/zinc/09/23/86/554092386.db2.gz FQTVRXMMHLCPII-BDYUSTAISA-N 0 3 511.563 5.067 50 0 KKAAHN COc1ccc(CCN(C)c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCCN(C)C)cc3)n2)cc1OC ZINC000098015074 554095561 /nfs/dbraw/zinc/09/55/61/554095561.db2.gz GFGZLLOEJPSSGV-UHFFFAOYSA-N 0 3 585.774 5.423 50 0 KKAAHN Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCCN(Cc4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000035927824 554101197 /nfs/dbraw/zinc/10/11/97/554101197.db2.gz PFWROAMRUPPQRU-UHFFFAOYSA-N 0 3 530.720 6.550 50 0 KKAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000098031711 554121132 /nfs/dbraw/zinc/12/11/32/554121132.db2.gz KUSMWQBEDHDHSG-JSOSNVBQSA-N 0 3 532.688 5.102 50 0 KKAAHN C[C@H](CC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)CC(=O)N1CCN(c2ccccc2)CC1 ZINC000098045562 554132417 /nfs/dbraw/zinc/13/24/17/554132417.db2.gz KRXLQVUJIJZVAB-WJOKGBTCSA-N 0 3 615.822 6.302 50 0 KKAAHN O=C(CCCC(=O)Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000098045560 554132420 /nfs/dbraw/zinc/13/24/20/554132420.db2.gz SJAREMFWCBPQBK-UHFFFAOYSA-N 0 3 638.812 7.925 50 0 KKAAHN Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CCN(C)C)C(=O)c2ccccc2C)cc1C ZINC000036049466 554155484 /nfs/dbraw/zinc/15/54/84/554155484.db2.gz PAPSJHBEBQEKCW-UHFFFAOYSA-N 0 3 509.654 5.107 50 0 KKAAHN CC(C)(C)c1cc2cc(N(C(=O)c3ccc(S(C)(=O)=O)cc3)C3CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC000100001454 554177471 /nfs/dbraw/zinc/17/74/71/554177471.db2.gz FRPAQXZBBYMVQD-UHFFFAOYSA-N 0 3 543.733 6.180 50 0 KKAAHN CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CCN2CCCC2)C(=O)NC(C)(C)C)cc1 ZINC000036122159 554193263 /nfs/dbraw/zinc/19/32/63/554193263.db2.gz FRVTZWBQKPAKLN-SANMLTNESA-N 0 3 540.774 5.282 50 0 KKAAHN COc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)COCc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302346 554212406 /nfs/dbraw/zinc/21/24/06/554212406.db2.gz BHTWEZKQXFIGPK-MUUNZHRXSA-N 0 3 529.681 6.017 50 0 KKAAHN CCCC(=O)OC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302403 554212431 /nfs/dbraw/zinc/21/24/31/554212431.db2.gz OFEBRPPTFJQPSJ-XMMPIXPASA-N 0 3 509.647 5.144 50 0 KKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036302837 554213021 /nfs/dbraw/zinc/21/30/21/554213021.db2.gz ZPLQYINEJRCKCA-HHHXNRCGSA-N 0 3 511.666 6.051 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COCc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305199 554214942 /nfs/dbraw/zinc/21/49/42/554214942.db2.gz HGSPAURDIGEDPN-MHZLTWQESA-N 0 3 532.084 6.323 50 0 KKAAHN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036307545 554216199 /nfs/dbraw/zinc/21/61/99/554216199.db2.gz SSARQQZPHSUXDB-SANMLTNESA-N 0 3 503.618 5.807 50 0 KKAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000100181545 554241961 /nfs/dbraw/zinc/24/19/61/554241961.db2.gz BOWAMZRCBVQGNT-UHFFFAOYSA-N 0 3 584.764 5.401 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccc(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523714 554250168 /nfs/dbraw/zinc/25/01/68/554250168.db2.gz GSVGNCIRFXJYSG-UFHPHHKVSA-N 0 3 530.581 6.998 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524153 554250301 /nfs/dbraw/zinc/25/03/01/554250301.db2.gz SAVYTGWDLKJHKL-LMSSTIIKSA-N 0 3 508.628 7.028 50 0 KKAAHN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)c1)NCCN1CCCCC1 ZINC000037600560 554253267 /nfs/dbraw/zinc/25/32/67/554253267.db2.gz WWMYKUUXNVROKI-UHFFFAOYSA-N 0 3 524.492 5.985 50 0 KKAAHN CCOC(CN(C)[C@@H](Cc1ccc(OC)c(OCc2ccccc2)c1)c1ccc(OC)c(OCc2ccccc2)c1)OCC ZINC000100818481 554478649 /nfs/dbraw/zinc/47/86/49/554478649.db2.gz OAMNGNQWYXUGQN-YTTGMZPUSA-N 0 3 599.768 7.477 50 0 KKAAHN CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc21 ZINC000060209958 554503689 /nfs/dbraw/zinc/50/36/89/554503689.db2.gz BVDYFTXXWMONIJ-UHFFFAOYSA-N 0 3 566.749 5.509 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1nc2ccc(OC)cc2s1 ZINC000060209689 554503803 /nfs/dbraw/zinc/50/38/03/554503803.db2.gz BIEQYUQNYNGXSU-UHFFFAOYSA-N 0 3 578.760 5.041 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2c(cccc2F)s1 ZINC000060209977 554503867 /nfs/dbraw/zinc/50/38/67/554503867.db2.gz KYYOEBOLHOOUGX-UHFFFAOYSA-N 0 3 566.724 5.566 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2cc(OC)ccc2s1 ZINC000060210173 554503945 /nfs/dbraw/zinc/50/39/45/554503945.db2.gz PFRPPENWSLMHBJ-UHFFFAOYSA-N 0 3 558.770 5.247 50 0 KKAAHN CCCCOc1ccc([C@@](O)(CCC)[C@@H](CN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426877 554508603 /nfs/dbraw/zinc/50/86/03/554508603.db2.gz YIJMZLISLQQENO-DITALETJSA-N 0 3 516.726 6.468 50 0 KKAAHN CCCCOc1ccc([C@@](O)(CCC)[C@H](CN2CCN(c3ccccc3F)CC2)c2ccccc2)cc1 ZINC000063426875 554508625 /nfs/dbraw/zinc/50/86/25/554508625.db2.gz ZGIIRWXTCHNSIL-PPTMTGTBSA-N 0 3 504.690 6.598 50 0 KKAAHN COc1ccc(OC)c(CC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCCN(C)C3)C2)c1 ZINC000101056256 554569473 /nfs/dbraw/zinc/56/94/73/554569473.db2.gz ASLIKJJMMURXMZ-JOCHJYFZSA-N 0 3 550.721 5.425 50 0 KKAAHN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1ccc(Br)cc1 ZINC000101066229 554573119 /nfs/dbraw/zinc/57/31/19/554573119.db2.gz PJQDGTCMWMTPDF-UHFFFAOYSA-N 0 3 567.572 5.329 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101075950 554577549 /nfs/dbraw/zinc/57/75/49/554577549.db2.gz WFEJDWMJQSCMGU-ZONZVBGPSA-N 0 3 605.466 5.268 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101099559 554586416 /nfs/dbraw/zinc/58/64/16/554586416.db2.gz VEBFZECWXXXTMH-PFBJBMPXSA-N 0 3 521.013 5.969 50 0 KKAAHN CCN(CC)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nc2c(s1)c(Cl)ccc2C ZINC000101141153 554653470 /nfs/dbraw/zinc/65/34/70/554653470.db2.gz KOMPNIBIWULAAX-UHFFFAOYSA-N 0 3 583.607 5.687 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000101150486 554657061 /nfs/dbraw/zinc/65/70/61/554657061.db2.gz XURFVSLLBIIBID-UUQNIDNHSA-N 0 3 546.648 6.003 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000101152519 554657837 /nfs/dbraw/zinc/65/78/37/554657837.db2.gz LMJKUQKVRQKBDU-PFBJBMPXSA-N 0 3 542.950 5.749 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000101185211 554668952 /nfs/dbraw/zinc/66/89/52/554668952.db2.gz WRHSBJXEQMDBBO-JVPIYLDOSA-N 0 3 525.048 6.319 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254660 554695227 /nfs/dbraw/zinc/69/52/27/554695227.db2.gz CJWLMUFTQKPYQP-SANMLTNESA-N 0 3 554.782 5.260 50 0 KKAAHN COc1cc(CN2C[C@@H](c3ccc(F)c(C)c3)C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000101260296 554697275 /nfs/dbraw/zinc/69/72/75/554697275.db2.gz RMZDPVZMBJRRKO-ZEQRLZLVSA-N 0 3 544.589 6.092 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101342476 554735924 /nfs/dbraw/zinc/73/59/24/554735924.db2.gz BHAUNPDRZCCCNU-NSBPXKJOSA-N 0 3 531.439 6.254 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000101346009 554737449 /nfs/dbraw/zinc/73/74/49/554737449.db2.gz XBLKGSFJFZFTKG-BHBYDHKZSA-N 0 3 547.788 5.112 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000101359091 554741588 /nfs/dbraw/zinc/74/15/88/554741588.db2.gz KPQPZBXYSSOLFS-HEFUCBFLSA-N 0 3 544.582 5.690 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386165 554751174 /nfs/dbraw/zinc/75/11/74/554751174.db2.gz GJSVJJZDFSNHED-NHZFLZHXSA-N 0 3 605.827 7.058 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000101386223 554751407 /nfs/dbraw/zinc/75/14/07/554751407.db2.gz XAPJFJSMPHQWMJ-WNOXWKSXSA-N 0 3 647.864 6.575 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386183 554751415 /nfs/dbraw/zinc/75/14/15/554751415.db2.gz LDWYSZQCVJPLQB-RYCFQHDISA-N 0 3 593.772 6.142 50 0 KKAAHN COc1ccc(OC)c(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CCN([C@@H]4CCc5ccccc5C4)CC3)n2)c1 ZINC000101421866 554767348 /nfs/dbraw/zinc/76/73/48/554767348.db2.gz FDPHPIOEKSUATJ-AREMUKBSSA-N 0 3 583.758 5.174 50 0 KKAAHN CC[C@H]1CCCCN1Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)o1 ZINC000101492982 554786255 /nfs/dbraw/zinc/78/62/55/554786255.db2.gz UIYNMPKNVMFBPZ-RHHPEKOXSA-N 0 3 594.778 5.536 50 0 KKAAHN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(CN3CCCCC3)cc2)CC1 ZINC000101500370 554787995 /nfs/dbraw/zinc/78/79/95/554787995.db2.gz HKBNORXDVMHJAO-NTCAYCPXSA-N 0 3 562.736 5.487 50 0 KKAAHN CCOc1ccc(/C=C2/Sc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3N(C)C2=O)cc1OC ZINC000101637149 554813398 /nfs/dbraw/zinc/81/33/98/554813398.db2.gz OQOWAKKLXZDSKM-NDZAJKAJSA-N 0 3 557.716 5.598 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101669648 554823096 /nfs/dbraw/zinc/82/30/96/554823096.db2.gz SHTPDBKUWALGMG-PFBJBMPXSA-N 0 3 565.464 6.078 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000101739792 554833992 /nfs/dbraw/zinc/83/39/92/554833992.db2.gz PTJZEVOWAKTJHY-UHFFFAOYSA-N 0 3 561.702 5.520 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC3CCN(Cc4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000101739825 554834000 /nfs/dbraw/zinc/83/40/00/554834000.db2.gz JJYZREONHIOSAX-UHFFFAOYSA-N 0 3 543.712 5.381 50 0 KKAAHN Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc(Cl)cc3)C2)n1 ZINC000101754434 554835801 /nfs/dbraw/zinc/83/58/01/554835801.db2.gz OAQCKUAWXZJOAU-DGMOKBNLSA-N 0 3 580.242 5.451 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCCc1ccccn1 ZINC000101761804 554836812 /nfs/dbraw/zinc/83/68/12/554836812.db2.gz SHWZECYJFUEYTJ-FREGXXQWSA-N 0 3 564.149 5.026 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000101868611 554845404 /nfs/dbraw/zinc/84/54/04/554845404.db2.gz UVFTVQFAIKVVNK-AJQTZOPKSA-N 0 3 552.763 5.073 50 0 KKAAHN CCN1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000101979640 554863570 /nfs/dbraw/zinc/86/35/70/554863570.db2.gz YUGIDUUOXHLBSO-XZWHSSHBSA-N 0 3 542.749 5.748 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102085279 554876389 /nfs/dbraw/zinc/87/63/89/554876389.db2.gz FDCZYOXXXBUMBF-QHAWAJNXSA-N 0 3 531.417 5.509 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000102096300 554879422 /nfs/dbraw/zinc/87/94/22/554879422.db2.gz LRLFKNQGLFKLBZ-LITSAYRRSA-N 0 3 576.625 8.047 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000102102996 554882094 /nfs/dbraw/zinc/88/20/94/554882094.db2.gz LGSRWZQPSDLOHH-YTTGMZPUSA-N 0 3 553.791 6.598 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000102104406 554882404 /nfs/dbraw/zinc/88/24/04/554882404.db2.gz HMFQKLPQKMUUQF-HHHXNRCGSA-N 0 3 535.635 6.287 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136035 554887772 /nfs/dbraw/zinc/88/77/72/554887772.db2.gz PFYCXLBTXSSNCF-FIPFOOKPSA-N 0 3 541.589 5.531 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102410573 554923316 /nfs/dbraw/zinc/92/33/16/554923316.db2.gz QQQYMCIVVYBTSP-LITSAYRRSA-N 0 3 528.693 5.069 50 0 KKAAHN O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)CN(Cc2ccc(O)cc2)C1 ZINC000102438259 554928933 /nfs/dbraw/zinc/92/89/33/554928933.db2.gz OTRRAUITISAPCQ-URLMMPGGSA-N 0 3 533.672 5.427 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000102462599 554935215 /nfs/dbraw/zinc/93/52/15/554935215.db2.gz BVPTWCNALFELOH-QODLHPCFSA-N 0 3 595.449 5.907 50 0 KKAAHN CCOC(=O)c1c2ccc(Br)c(OCCN(Cc3ccccc3)Cc3ccccc3)c2sc1NC(C)=O ZINC000102524949 554951670 /nfs/dbraw/zinc/95/16/70/554951670.db2.gz QPHUORCVUYGHTL-UHFFFAOYSA-N 0 3 581.532 6.880 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102548901 554960592 /nfs/dbraw/zinc/96/05/92/554960592.db2.gz GHMKCJIKFYKHBK-IANDGLOUSA-N 0 3 576.674 6.012 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102548896 554960607 /nfs/dbraw/zinc/96/06/07/554960607.db2.gz GHMKCJIKFYKHBK-CDACFMRSSA-N 0 3 576.674 6.012 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102562533 554968695 /nfs/dbraw/zinc/96/86/95/554968695.db2.gz ZDHMENHNRNTZHL-KWXIBIRDSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102588218 554973539 /nfs/dbraw/zinc/97/35/39/554973539.db2.gz DNBQODSTDCIEPN-VAVYLYDRSA-N 0 3 542.617 6.867 50 0 KKAAHN Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](Sc4ccccn4)CN3C3CCN(Cc4ccccc4)CC3)ccc2s1 ZINC000102706270 555014810 /nfs/dbraw/zinc/01/48/10/555014810.db2.gz LDJJPSBDLFZFEJ-VPUSJEBWSA-N 0 3 543.762 5.838 50 0 KKAAHN COc1ccc(-c2csc(C3=C(N)N(CCC4CCN(Cc5ccccc5)CC4)CC3=O)n2)cc1OC ZINC000102725891 555021504 /nfs/dbraw/zinc/02/15/04/555021504.db2.gz GJNRUAYYNPBREW-UHFFFAOYSA-N 0 3 518.683 5.692 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102738238 555026983 /nfs/dbraw/zinc/02/69/83/555026983.db2.gz HMGCWYIVECWVQW-CCDWMCETSA-N 0 3 539.802 6.958 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102739031 555027674 /nfs/dbraw/zinc/02/76/74/555027674.db2.gz DCMUYFQVYOWONS-TWJOJJKGSA-N 0 3 506.986 5.579 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102746335 555038592 /nfs/dbraw/zinc/03/85/92/555038592.db2.gz YOVKUQJTLIWORX-CCDWMCETSA-N 0 3 523.347 6.444 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000102752001 555044895 /nfs/dbraw/zinc/04/48/95/555044895.db2.gz XVOPXTZPMAYANC-HZFUHODCSA-N 0 3 504.542 5.265 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102757405 555050000 /nfs/dbraw/zinc/05/00/00/555050000.db2.gz BDMBIHLTYMNYJJ-PWRODBHTSA-N 0 3 508.188 6.351 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102763360 555053758 /nfs/dbraw/zinc/05/37/58/555053758.db2.gz CMVWLEGROGMBLI-ZONZVBGPSA-N 0 3 504.558 5.454 50 0 KKAAHN O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000102766274 555055247 /nfs/dbraw/zinc/05/52/47/555055247.db2.gz MOZCCZBAPQAWNM-ANYBSYGZSA-N 0 3 546.136 5.891 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000102766876 555055517 /nfs/dbraw/zinc/05/55/17/555055517.db2.gz YLDPQEKCJYKKRK-TZRRMPRUSA-N 0 3 507.384 5.289 50 0 KKAAHN O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2)N1CCN(C2CCCCC2)CC1 ZINC000102780512 555065855 /nfs/dbraw/zinc/06/58/55/555065855.db2.gz NCKOWGODLGRMDE-YQYKVWLJSA-N 0 3 555.719 6.596 50 0 KKAAHN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840419 555081317 /nfs/dbraw/zinc/08/13/17/555081317.db2.gz CXPDIMBNZQKTGR-WINIVTDRSA-N 0 3 542.532 5.766 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000102860556 555090574 /nfs/dbraw/zinc/09/05/74/555090574.db2.gz NYWSEYZHPZROSX-RJGXRXQPSA-N 0 3 591.900 6.425 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000102860575 555090663 /nfs/dbraw/zinc/09/06/63/555090663.db2.gz WIVDQADKGXYRHZ-PCCBWWKXSA-N 0 3 565.862 6.163 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000102860609 555090889 /nfs/dbraw/zinc/09/08/89/555090889.db2.gz ODXIADHJUOJQLU-FDFHNCONSA-N 0 3 545.444 5.900 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000102863225 555092825 /nfs/dbraw/zinc/09/28/25/555092825.db2.gz ZIJMFWKGPORGGN-FDFHNCONSA-N 0 3 510.999 5.164 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102875608 555105548 /nfs/dbraw/zinc/10/55/48/555105548.db2.gz JSTBIZGEHTYPEI-ZONZVBGPSA-N 0 3 595.460 5.812 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102891897 555128210 /nfs/dbraw/zinc/12/82/10/555128210.db2.gz TXPDZRGFCPSHFU-HKFRAXQBSA-N 0 3 562.647 5.621 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102892361 555128716 /nfs/dbraw/zinc/12/87/16/555128716.db2.gz NTYZTCUSRHTOFQ-LSBIRFPWSA-N 0 3 571.073 5.946 50 0 KKAAHN COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000102910328 555142719 /nfs/dbraw/zinc/14/27/19/555142719.db2.gz QTIPIEDCOGDDPQ-YPAWHYETSA-N 0 3 530.886 5.197 50 0 KKAAHN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000102941015 555169839 /nfs/dbraw/zinc/16/98/39/555169839.db2.gz WXOVBUYZTPQMNZ-MUUNZHRXSA-N 0 3 532.710 5.196 50 0 KKAAHN Cc1ccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)NCCN(C)C)c2)cc1C ZINC000103050994 555233218 /nfs/dbraw/zinc/23/32/18/555233218.db2.gz VBRGTGDQCZCJFQ-UHFFFAOYSA-N 0 3 532.044 5.330 50 0 KKAAHN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000103159384 555320342 /nfs/dbraw/zinc/32/03/42/555320342.db2.gz AUXVSVOKUCWCRJ-HHHXNRCGSA-N 0 3 517.699 5.092 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103219961 555340840 /nfs/dbraw/zinc/34/08/40/555340840.db2.gz OIYUTYASRCXJPF-NEEKEDPPSA-N 0 3 552.656 7.844 50 0 KKAAHN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)CC2)c1 ZINC000103266864 555347263 /nfs/dbraw/zinc/34/72/63/555347263.db2.gz PNICPVLOJIBVBH-UHFFFAOYSA-N 0 3 552.641 5.759 50 0 KKAAHN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000103324153 555358983 /nfs/dbraw/zinc/35/89/83/555358983.db2.gz LQZNVGXSPGQKRA-WJOKGBTCSA-N 0 3 582.726 5.865 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccccc2C)cc1 ZINC000103371483 555367076 /nfs/dbraw/zinc/36/70/76/555367076.db2.gz NGASOUXKYSJPEM-WJOKGBTCSA-N 0 3 588.177 5.657 50 0 KKAAHN CC(C)N(C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435239 555417684 /nfs/dbraw/zinc/41/76/84/555417684.db2.gz FIKKHZGZLLGDJB-YIXXDRMTSA-N 0 3 533.009 7.264 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000103552975 555444767 /nfs/dbraw/zinc/44/47/67/555444767.db2.gz YZRKFWBJWMWSRQ-AVFCFFAPSA-N 0 3 570.822 6.146 50 0 KKAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000103727467 555465558 /nfs/dbraw/zinc/46/55/58/555465558.db2.gz WDOSKLSDJSTYEX-WDYNHAJCSA-N 0 3 513.707 5.536 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000195260649 562871610 /nfs/dbraw/zinc/87/16/10/562871610.db2.gz MYKURCFTIZBVPS-MBHZRMRWSA-N 0 3 574.718 6.089 50 0 KKAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000104784323 571386075 /nfs/dbraw/zinc/38/60/75/571386075.db2.gz UPXBEVAYFJAZCX-BHIFYINESA-N 0 3 559.247 5.324 50 0 KKAAHN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104919816 571387842 /nfs/dbraw/zinc/38/78/42/571387842.db2.gz FQTVRXMMHLCPII-AHKZPQOWSA-N 0 3 511.563 5.067 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105019185 571389395 /nfs/dbraw/zinc/38/93/95/571389395.db2.gz JOXAZIBYPQVCCB-SQHAQQRYSA-N 0 3 510.600 6.127 50 0 KKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@@H]2c2ccccc2)c1 ZINC000105022711 571389453 /nfs/dbraw/zinc/38/94/53/571389453.db2.gz SJICJDFQSJIVDR-QNLPTKCRSA-N 0 3 508.637 6.366 50 0 KKAAHN CC[C@@H](C)OC(=O)Nc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000105886689 571409155 /nfs/dbraw/zinc/40/91/55/571409155.db2.gz RZJZGAADPCCXEV-OAQYLSRUSA-N 0 3 608.623 8.219 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000106019178 571410672 /nfs/dbraw/zinc/41/06/72/571410672.db2.gz CGUYSYHDJNQRAM-JCYYIGJDSA-N 0 3 572.976 5.758 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000108473052 571425840 /nfs/dbraw/zinc/42/58/40/571425840.db2.gz XVZJUSYOQZVBQP-NYSQKFROSA-N 0 3 620.882 7.184 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1cccs1)[C@]21C(=O)Nc2ccccc21 ZINC000108521696 571426040 /nfs/dbraw/zinc/42/60/40/571426040.db2.gz MQOXZOSTXPFLGX-YRIIQKNPSA-N 0 3 522.651 6.056 50 0 KKAAHN CCOP(=O)(OCC)c1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000135737578 571448895 /nfs/dbraw/zinc/44/88/95/571448895.db2.gz SUBZAWOVJPFKEQ-UHFFFAOYSA-N 0 3 629.578 7.764 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)F)cc3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000136035789 571449255 /nfs/dbraw/zinc/44/92/55/571449255.db2.gz RVRWYUMQGDPBPJ-PWRODBHTSA-N 0 3 504.411 5.358 50 0 KKAAHN CCCOc1ccc(CN2CCC([C@](O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC)cc3N(C)C)CC2)cc1 ZINC000136976399 571449946 /nfs/dbraw/zinc/44/99/46/571449946.db2.gz PJJKXSDGYHFCJG-WJOKGBTCSA-N 0 3 572.668 6.597 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000137833790 571450697 /nfs/dbraw/zinc/45/06/97/571450697.db2.gz HOFYLJBFMFOMSY-HZFUHODCSA-N 0 3 504.542 5.265 50 0 KKAAHN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000137950835 571450839 /nfs/dbraw/zinc/45/08/39/571450839.db2.gz APJKPZYGRPGHCC-BHDDXSALSA-N 0 3 513.775 5.162 50 0 KKAAHN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150388989 571471313 /nfs/dbraw/zinc/47/13/13/571471313.db2.gz XEWDYSZTJJQTQF-UHFFFAOYSA-N 0 3 665.793 10.160 50 0 KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1OC ZINC000150389027 571471446 /nfs/dbraw/zinc/47/14/46/571471446.db2.gz QKAOVUYNSWKCDZ-UHFFFAOYSA-N 0 3 669.737 8.880 50 0 KKAAHN Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150389163 571471553 /nfs/dbraw/zinc/47/15/53/571471553.db2.gz XKGQKXJRZQJRNL-DTQAZKPQSA-N 0 3 649.750 9.571 50 0 KKAAHN COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389123 571471576 /nfs/dbraw/zinc/47/15/76/571471576.db2.gz DTVDPTJSWAROJU-UHFFFAOYSA-N 0 3 706.154 8.925 50 0 KKAAHN COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCN(C[C@@H](O)Cn3c(-c4ccc(OC)cc4)cc4ccccc43)CC2)cc1 ZINC000150479494 571511775 /nfs/dbraw/zinc/51/17/75/571511775.db2.gz JGRPNZJSUKYMOG-KKLWWLSJSA-N 0 3 644.816 5.987 50 0 KKAAHN CCN(CC)C[C@@H](O)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC[C@@H](O)CN(CC)CC)c(Br)c2)cc1Br ZINC000150500170 571518536 /nfs/dbraw/zinc/51/85/36/571518536.db2.gz RKOFWDKKXNCXBS-HDICACEKSA-N 0 3 824.265 5.732 50 0 KKAAHN CN(C)CCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1CC2=C(C1=O)[C@@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2C ZINC000150522469 571520161 /nfs/dbraw/zinc/52/01/61/571520161.db2.gz TZBJSKJBOIGZBE-YYFXGUOYSA-N 0 3 643.788 5.473 50 0 KKAAHN O=C(OCc1ccccc1)c1ccccc1C(=O)Oc1ccc2[nH]cc(CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000150577685 571521741 /nfs/dbraw/zinc/52/17/41/571521741.db2.gz YVHXJDPLRFCTIJ-UHFFFAOYSA-N 0 3 656.782 8.868 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000150643554 571524776 /nfs/dbraw/zinc/52/47/76/571524776.db2.gz ZMYVMODGCFGRFU-ZJJOJAIXSA-N 0 3 672.836 8.682 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150648999 571525276 /nfs/dbraw/zinc/52/52/76/571525276.db2.gz WAFWNJKJZKCBQE-MPFGFTFXSA-N 0 3 654.344 7.395 50 0 KKAAHN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169681577 571557468 /nfs/dbraw/zinc/55/74/68/571557468.db2.gz UAXRSEWQUQEUOH-RBJSKKJNSA-N 0 3 529.681 6.160 50 0 KKAAHN CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000169698912 571558766 /nfs/dbraw/zinc/55/87/66/571558766.db2.gz DEHVEXZFSINEGX-RJGXRXQPSA-N 0 3 589.273 5.415 50 0 KKAAHN O=C1c2ccccc2[C@H]([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000195529727 571563467 /nfs/dbraw/zinc/56/34/67/571563467.db2.gz DQPCOOIKAATCSW-NUZLPUNMSA-N 0 3 562.025 6.297 50 0 KKAAHN Clc1ccc(Cn2cc(CNCCSc3nnnn3-c3ccccc3)c3ccccc32)cc1Cl ZINC000261492159 572110294 /nfs/dbraw/zinc/11/02/94/572110294.db2.gz SAODONVVXFDXIK-UHFFFAOYSA-N 0 3 509.466 5.854 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000299756060 572134705 /nfs/dbraw/zinc/13/47/05/572134705.db2.gz CDNXMMWDFCLTGZ-BHDXBOSCSA-N 0 3 587.208 6.269 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000226831461 572142543 /nfs/dbraw/zinc/14/25/43/572142543.db2.gz XAOMMBHBNKOFIG-PCCBWWKXSA-N 0 3 517.301 5.519 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000226832091 572142883 /nfs/dbraw/zinc/14/28/83/572142883.db2.gz VRNAWRRLTGUUOX-CCDWMCETSA-N 0 3 523.347 6.444 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226821201 572142910 /nfs/dbraw/zinc/14/29/10/572142910.db2.gz DCMUYFQVYOWONS-JIMJEQGWSA-N 0 3 506.986 5.579 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N21 ZINC000226838664 572143406 /nfs/dbraw/zinc/14/34/06/572143406.db2.gz JNONEFZBHJQXSE-MLSLEFIRSA-N 0 3 519.000 6.055 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226873329 572144462 /nfs/dbraw/zinc/14/44/62/572144462.db2.gz JSGQRPYSFKALDC-OJDZSJEKSA-N 0 3 536.628 6.469 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226873329 572144464 /nfs/dbraw/zinc/14/44/64/572144464.db2.gz JSGQRPYSFKALDC-OJDZSJEKSA-N 0 3 536.628 6.469 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226873416 572144607 /nfs/dbraw/zinc/14/46/07/572144607.db2.gz BFHZBYQUUPPMNC-FRXPANAUSA-N 0 3 538.575 5.855 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226873416 572144609 /nfs/dbraw/zinc/14/46/09/572144609.db2.gz BFHZBYQUUPPMNC-FRXPANAUSA-N 0 3 538.575 5.855 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913397 572145476 /nfs/dbraw/zinc/14/54/76/572145476.db2.gz HFRUBRGONLVFPZ-XYIJYTLJSA-N 0 3 539.635 5.945 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913386 572145503 /nfs/dbraw/zinc/14/55/03/572145503.db2.gz HFRUBRGONLVFPZ-WYODCFETSA-N 0 3 539.635 5.945 50 0 KKAAHN 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ZINC000245245205 572217277 /nfs/dbraw/zinc/21/72/77/572217277.db2.gz BWEQFPMJXCVAOS-GZNUUUAQSA-N 0 3 559.493 6.972 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245245666 572217924 /nfs/dbraw/zinc/21/79/24/572217924.db2.gz FSTVWFOEGZOODZ-WPQKMFINSA-N 0 3 551.067 6.566 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000245245666 572217929 /nfs/dbraw/zinc/21/79/29/572217929.db2.gz FSTVWFOEGZOODZ-WPQKMFINSA-N 0 3 551.067 6.566 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Br)cc5)o4)[C@H]3C2=O)cc1 ZINC000245246137 572218657 /nfs/dbraw/zinc/21/86/57/572218657.db2.gz JLVJUJUWUPBZTE-JCYYIGJDSA-N 0 3 573.443 6.549 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccc(Cl)cc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000245246077 572218789 /nfs/dbraw/zinc/21/87/89/572218789.db2.gz HEWPIHIHNPBOJG-WPQKMFINSA-N 0 3 585.512 7.301 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245246075 572218812 /nfs/dbraw/zinc/21/88/12/572218812.db2.gz HEWPIHIHNPBOJG-BQUCCUTGSA-N 0 3 585.512 7.301 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245247937 572221299 /nfs/dbraw/zinc/22/12/99/572221299.db2.gz ZFGXHEBNHOAKJH-RAESKKBESA-N 0 3 558.609 6.081 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245311999 572229985 /nfs/dbraw/zinc/22/99/85/572229985.db2.gz RPAOVPSORWAUDF-UCDUTVGFSA-N 0 3 525.048 6.237 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000245312636 572230240 /nfs/dbraw/zinc/23/02/40/572230240.db2.gz WRHSBJXEQMDBBO-XTQYNZLPSA-N 0 3 525.048 6.319 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@H]3C2=O)cc1 ZINC000245313021 572230313 /nfs/dbraw/zinc/23/03/13/572230313.db2.gz YXZMETQFKGFUTE-WXFUMESZSA-N 0 3 507.384 5.289 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312625 572230403 /nfs/dbraw/zinc/23/04/03/572230403.db2.gz WOOBXIQFTGUXPE-HEFUCBFLSA-N 0 3 541.607 5.336 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000245325247 572231417 /nfs/dbraw/zinc/23/14/17/572231417.db2.gz DHGOHVNIBQWKDW-WFQWJIHPSA-N 0 3 562.663 5.876 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000245325244 572231519 /nfs/dbraw/zinc/23/15/19/572231519.db2.gz DHGOHVNIBQWKDW-MZNDLHKKSA-N 0 3 562.663 5.876 50 0 KKAAHN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247869313 572247269 /nfs/dbraw/zinc/24/72/69/572247269.db2.gz QCZVVRHAUQNQQT-SSEXGKCCSA-N 0 3 587.743 6.310 50 0 KKAAHN COc1ccc([C@@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247940475 572249907 /nfs/dbraw/zinc/24/99/07/572249907.db2.gz NEKMJQLHAZFCCA-QCDSWUKFSA-N 0 3 506.618 5.116 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248114879 572253958 /nfs/dbraw/zinc/25/39/58/572253958.db2.gz UMDXQFSJIDKGJV-BHBYDHKZSA-N 0 3 501.114 7.339 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248245133 572257003 /nfs/dbraw/zinc/25/70/03/572257003.db2.gz QDWKNZACXBCBPP-NAKRPHOHSA-N 0 3 562.598 7.738 50 0 KKAAHN CCn1c(CN2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000249692763 572258845 /nfs/dbraw/zinc/25/88/45/572258845.db2.gz MZKBTWWZHPSQAJ-NDEPHWFRSA-N 0 3 521.709 5.202 50 0 KKAAHN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3C4=C(CCCC4)C(=O)N3C[C@H]3CCCO3)CCC[C@]21C ZINC000252444310 572261028 /nfs/dbraw/zinc/26/10/28/572261028.db2.gz BEEWXJLOUGNKKP-AXEIPPLRSA-N 0 3 504.759 6.628 50 0 KKAAHN CN(CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585641 572264767 /nfs/dbraw/zinc/26/47/67/572264767.db2.gz KBLHILREQNVSSP-LBULEFPHSA-N 0 3 625.597 5.054 50 0 KKAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252587101 572265894 /nfs/dbraw/zinc/26/58/94/572265894.db2.gz VPZSVEGKGKSXKT-IHPMYELASA-N 0 3 604.836 5.105 50 0 KKAAHN CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000253387883 572282846 /nfs/dbraw/zinc/28/28/46/572282846.db2.gz IDKAKZRYYDCJDU-HEVVSWJASA-N 0 3 562.513 5.303 50 0 KKAAHN Clc1ccc(CCNCc2nn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c(Cl)c1 ZINC000253490421 572291565 /nfs/dbraw/zinc/29/15/65/572291565.db2.gz IPONICITOWLYAL-UHFFFAOYSA-N 0 3 506.264 6.939 50 0 KKAAHN CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734106 1069837249 /nfs/dbraw/zinc/83/72/49/1069837249.db2.gz XKLRAYLCHHZTLR-UXMGRTHOSA-N 0 3 592.780 6.626 50 0 KKAAHN COc1ccc(CN2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000102130040 1069843805 /nfs/dbraw/zinc/84/38/05/1069843805.db2.gz AGMKEARLIPHVTN-HVNZXBJASA-N 0 3 573.709 6.211 50 0 KKAAHN COc1cc(OC)cc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c1 ZINC000102261928 1069852990 /nfs/dbraw/zinc/85/29/90/1069852990.db2.gz FDFZUZKWPMKAAJ-LJAQVGFWSA-N 0 3 553.703 6.348 50 0 KKAAHN COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)cc1 ZINC000011881536 1071233051 /nfs/dbraw/zinc/23/30/51/1071233051.db2.gz JPWBERJMXKUKJK-GDLZYMKVSA-N 0 3 523.677 6.339 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cc2ccccc2)c1)Cc1cccc2cccnc21 ZINC000014997679 1072895602 /nfs/dbraw/zinc/89/56/02/1072895602.db2.gz YAIHBDBLJCKCOO-PMERELPUSA-N 0 3 507.678 6.260 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000000626553 193857738 /nfs/dbraw/zinc/85/77/38/193857738.db2.gz MUTYIBZJFUUPAA-QFIPXVFZSA-N 0 3 557.330 5.498 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000001271178 551634981 /nfs/dbraw/zinc/63/49/81/551634981.db2.gz MUNOBNJSMWTBIM-JRLXJTRMSA-N 0 3 564.682 5.991 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000001878114 551723376 /nfs/dbraw/zinc/72/33/76/551723376.db2.gz GUJNKBADFJYEPG-DSNGMDLFSA-N 0 3 584.253 7.067 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccccc1F ZINC000002119064 551769759 /nfs/dbraw/zinc/76/97/59/551769759.db2.gz XTIKATGLUNBFJD-HKBQPEDESA-N 0 3 508.593 6.709 50 0 biogenic KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000002256775 551803043 /nfs/dbraw/zinc/80/30/43/551803043.db2.gz WCOFXYXKDHFUEJ-NJDAHSKKSA-N 0 3 518.194 5.807 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000002399929 552111205 /nfs/dbraw/zinc/11/12/05/552111205.db2.gz AWTMRMZOPKALKI-NHKHRBQYSA-N 0 3 534.568 5.274 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000002431895 552118055 /nfs/dbraw/zinc/11/80/55/552118055.db2.gz XAOMMBHBNKOFIG-NJDAHSKKSA-N 0 3 517.301 5.519 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000002968221 552239501 /nfs/dbraw/zinc/23/95/01/552239501.db2.gz BEQKOZONJSIBKG-CLJLJLNGSA-N 0 3 553.688 5.065 50 0 KKAAHN CC[C@@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968266 552239809 /nfs/dbraw/zinc/23/98/09/552239809.db2.gz HVSPWGNSWPQGPT-BJKOFHAPSA-N 0 3 560.079 5.156 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968471 552240788 /nfs/dbraw/zinc/24/07/88/552240788.db2.gz WJMQQOWZNRZGEA-DQEYMECFSA-N 0 3 590.105 5.164 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3cccc(Cl)c3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034078 552268512 /nfs/dbraw/zinc/26/85/12/552268512.db2.gz XKKZRENMPYGCBF-UHFFFAOYSA-N 0 3 547.171 6.274 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3cccc(Br)c3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034073 552268568 /nfs/dbraw/zinc/26/85/68/552268568.db2.gz IGCMXVQWTXXMDJ-UHFFFAOYSA-N 0 3 591.622 6.383 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034080 552268621 /nfs/dbraw/zinc/26/86/21/552268621.db2.gz PHYQJNDNXJNDBR-UHFFFAOYSA-N 0 3 547.171 6.274 50 0 KKAAHN FC(F)(F)c1cccc(OCCN(CCNc2ncc(C(F)(F)F)cc2Cl)Cc2ccc(Cl)cc2)c1 ZINC000003050222 552277073 /nfs/dbraw/zinc/27/70/73/552277073.db2.gz UDBUOXMBEKDMAW-UHFFFAOYSA-N 0 3 552.346 7.419 50 0 KKAAHN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)C1=O ZINC000003063230 552283892 /nfs/dbraw/zinc/28/38/92/552283892.db2.gz MCBBTBPRLMKHMZ-AWSUPERCSA-N 0 3 551.756 6.766 50 0 KKAAHN CN(C)[C@@H](CNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)c1ccccc1 ZINC000003339979 552362386 /nfs/dbraw/zinc/36/23/86/552362386.db2.gz MIZAFJAPVDZMMH-DEOSSOPVSA-N 0 3 512.601 5.615 50 0 KKAAHN COc1ccc(NC(=O)COc2ccc([C@H]3NC[C@@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410216 552381901 /nfs/dbraw/zinc/38/19/01/552381901.db2.gz DQJZKQXBCINRDZ-NRUKRWIHSA-N 0 3 568.073 6.681 50 0 KKAAHN Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCN(C)Cc4ccccc4)cc3)C2=O)cc1 ZINC000003586701 552391735 /nfs/dbraw/zinc/39/17/35/552391735.db2.gz IQEUMANJVAMWKF-WEMUVCOSSA-N 0 3 531.656 5.824 50 0 KKAAHN Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN(C)Cc4ccccc4)cc3)C2=O)cc1 ZINC000003586753 552391763 /nfs/dbraw/zinc/39/17/63/552391763.db2.gz XDRJTWVHSFGAEC-GZZLJNBRSA-N 0 3 545.683 6.214 50 0 KKAAHN Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000003938668 552423099 /nfs/dbraw/zinc/42/30/99/552423099.db2.gz OYONTEXKYJZFHA-SSHUPFPWSA-N 0 3 641.621 6.105 50 0 in-vivo KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166822 552556852 /nfs/dbraw/zinc/55/68/52/552556852.db2.gz TUTXQRXWLUBWJC-UHFFFAOYSA-N 0 3 625.684 8.563 50 0 KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166818 552556956 /nfs/dbraw/zinc/55/69/56/552556956.db2.gz DYKBPLVIWFTWEB-UHFFFAOYSA-N 0 3 639.711 8.871 50 0 KKAAHN CCN(CC)C[C@H](CCCC[C@@H](CN(CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 ZINC000006511911 552597486 /nfs/dbraw/zinc/59/74/86/552597486.db2.gz ZOUPXVVZRXSCPM-NSOVKSMOSA-N 0 3 524.746 6.246 50 0 KKAAHN O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000008399005 553000373 /nfs/dbraw/zinc/00/03/73/553000373.db2.gz ROGAOFMHAQAPFV-UHFFFAOYSA-N 0 3 514.069 5.503 50 0 aggregator KKAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000008437126 553031315 /nfs/dbraw/zinc/03/13/15/553031315.db2.gz WFPOBVUWSZPAPJ-BDTNDASRSA-N 0 3 502.876 5.419 50 0 KKAAHN O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444824 553052082 /nfs/dbraw/zinc/05/20/82/553052082.db2.gz PDXWEDPGKPWEPA-AOWZQLQLSA-N 0 3 592.504 6.033 50 0 KKAAHN COc1cc(OC)cc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1 ZINC000008591364 553082494 /nfs/dbraw/zinc/08/24/94/553082494.db2.gz UAVDIVITZJRUDE-UHFFFAOYSA-N 0 3 513.594 6.144 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000009185420 553217206 /nfs/dbraw/zinc/21/72/06/553217206.db2.gz DDLTVXAHSAVDRX-HHHXNRCGSA-N 0 3 522.476 7.530 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009209732 553220548 /nfs/dbraw/zinc/22/05/48/553220548.db2.gz GKISSFMKIWYFDS-GFQWBHFJSA-N 0 3 517.412 5.864 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009210688 553220935 /nfs/dbraw/zinc/22/09/35/553220935.db2.gz YUSDUUYSSWYYRK-UBFVSLLYSA-N 0 3 504.464 5.790 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000009235748 553225338 /nfs/dbraw/zinc/22/53/38/553225338.db2.gz HEMZGEPJUBCQCC-QHAWAJNXSA-N 0 3 501.739 5.293 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000009380355 553251792 /nfs/dbraw/zinc/25/17/92/553251792.db2.gz QJXDTMLOXINXMS-NJDAHSKKSA-N 0 3 501.739 5.293 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(COc4cccc(C)c4C)nn3cnc1O2 ZINC000009510734 553276169 /nfs/dbraw/zinc/27/61/69/553276169.db2.gz JFBNTTUPTRDKSK-RUZDIDTESA-N 0 3 504.550 5.693 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccc(N(C)C)cc1)c1c3nc(-c4cccnc4)nn3cnc1O2 ZINC000009510785 553276208 /nfs/dbraw/zinc/27/62/08/553276208.db2.gz YFUIZRAKKSGMBB-DEOSSOPVSA-N 0 3 500.566 5.032 50 0 KKAAHN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009609568 553287909 /nfs/dbraw/zinc/28/79/09/553287909.db2.gz DEAHJLUMBLZPSF-UHFFFAOYSA-N 0 3 502.062 5.380 50 0 KKAAHN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCCN3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000009610295 553288352 /nfs/dbraw/zinc/28/83/52/553288352.db2.gz USISLWQQPQWZNY-UHFFFAOYSA-N 0 3 537.752 5.966 50 0 KKAAHN CCOc1ccc(CN2c3cc(C(=O)NCCN4CCCC[C@H]4C)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678497 553295549 /nfs/dbraw/zinc/29/55/49/553295549.db2.gz VQEQGQVUOIRMSH-JOCHJYFZSA-N 0 3 529.706 6.001 50 0 KKAAHN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC000009763732 553303532 /nfs/dbraw/zinc/30/35/32/553303532.db2.gz URKGXGFFTIQJJG-UHFFFAOYSA-N 0 3 513.682 5.225 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccc(F)cc4Cl)ccc3nc3c2CCCC3)cc1OC ZINC000009777098 553306462 /nfs/dbraw/zinc/30/64/62/553306462.db2.gz RFQMHRYDSJKDAV-UHFFFAOYSA-N 0 3 505.977 6.919 50 0 KKAAHN COc1ccc(CCC(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1 ZINC000009777097 553306493 /nfs/dbraw/zinc/30/64/93/553306493.db2.gz REYKJYYVSSSBRH-UHFFFAOYSA-N 0 3 511.622 6.454 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)COc4ccc(Cl)cc4)ccc3nc3c2CCCC3)cc1OC ZINC000009777100 553306520 /nfs/dbraw/zinc/30/65/20/553306520.db2.gz PQSHBSTUGSWFNW-UHFFFAOYSA-N 0 3 518.013 6.545 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)F)cc3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000011917806 553349645 /nfs/dbraw/zinc/34/96/45/553349645.db2.gz RVRWYUMQGDPBPJ-QHAWAJNXSA-N 0 3 504.411 5.358 50 0 KKAAHN CN(Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012039692 553350383 /nfs/dbraw/zinc/35/03/83/553350383.db2.gz XVLKNTPHTFYZQT-UHFFFAOYSA-N 0 3 569.649 6.118 50 0 KKAAHN Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)s1 ZINC000012122246 553351732 /nfs/dbraw/zinc/35/17/32/553351732.db2.gz OSCPQBYIUOGDAM-HHHXNRCGSA-N 0 3 513.707 6.701 50 0 KKAAHN O=c1c(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc2ccc(F)cc2n1Cc1cccnc1 ZINC000012152975 553352830 /nfs/dbraw/zinc/35/28/30/553352830.db2.gz FSODOMVIIJVTCE-UHFFFAOYSA-N 0 3 511.519 5.086 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3cn4ccccc4n3)CC2)cc1 ZINC000012157522 553352999 /nfs/dbraw/zinc/35/29/99/553352999.db2.gz WTCLHJUMKJFFTF-UHFFFAOYSA-N 0 3 510.663 5.865 50 0 KKAAHN COc1cc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@@H](C)C2)cc(OC)c1 ZINC000012160900 553353043 /nfs/dbraw/zinc/35/30/43/553353043.db2.gz KRJCZDPVYAAWCR-OAQYLSRUSA-N 0 3 532.637 5.027 50 0 KKAAHN Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc(CN(C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000012208164 553354105 /nfs/dbraw/zinc/35/41/05/553354105.db2.gz GFONMSGSVSWZJI-UHFFFAOYSA-N 0 3 525.696 5.370 50 0 KKAAHN C[C@H](NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)[C@@H](c1cccs1)N1CCCC1 ZINC000012498121 553381985 /nfs/dbraw/zinc/38/19/85/553381985.db2.gz QTFXBQOZVSBZQK-UDNBHOFDSA-N 0 3 517.698 7.586 50 0 KKAAHN COc1cc2nc(SCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n3c(nc(O)c3C(C)C)c2cc1OC ZINC000012856205 553422409 /nfs/dbraw/zinc/42/24/09/553422409.db2.gz XYZLUZUVCXDWME-IBGZPJMESA-N 0 3 545.505 6.289 50 0 KKAAHN O=C(c1cc(-c2ccccc2)nc2ccc(Br)cc21)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013320575 553458429 /nfs/dbraw/zinc/45/84/29/553458429.db2.gz STJLXCWORSRMKU-UHFFFAOYSA-N 0 3 530.510 6.391 50 0 KKAAHN Cc1c(Cl)ccc2c(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccncc3)nc12 ZINC000013322438 553458667 /nfs/dbraw/zinc/45/86/67/553458667.db2.gz BCCAWCVAHYALHJ-UHFFFAOYSA-N 0 3 501.074 5.985 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000013759031 553488596 /nfs/dbraw/zinc/48/85/96/553488596.db2.gz KJVIXBVZEXEVAM-QHAWAJNXSA-N 0 3 508.188 6.351 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013787730 553490825 /nfs/dbraw/zinc/49/08/25/553490825.db2.gz CPSGHXNMBSAQQG-NJDAHSKKSA-N 0 3 501.739 5.293 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000013811561 553492704 /nfs/dbraw/zinc/49/27/04/553492704.db2.gz ROJJJJLQDMZZCG-QHAWAJNXSA-N 0 3 507.295 6.063 50 0 KKAAHN Cn1cc(CN2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c2ccccc21 ZINC000014540937 553518522 /nfs/dbraw/zinc/51/85/22/553518522.db2.gz OPOPEKUJCPFDGQ-UHFFFAOYSA-N 0 3 521.665 5.005 50 0 KKAAHN CN(Cc1cccc(OC2CCN(C(=O)c3cnn4cccnc34)CC2)c1)Cc1cccc2ccccc21 ZINC000014960362 553522691 /nfs/dbraw/zinc/52/26/91/553522691.db2.gz OPNOBNLRUBJIGQ-UHFFFAOYSA-N 0 3 505.622 5.198 50 0 KKAAHN Cc1cc(C)n(CC(=O)N2CCC[C@H](COc3ccc(CN(C)Cc4cccc5ccccc54)cc3)C2)n1 ZINC000014995850 553524387 /nfs/dbraw/zinc/52/43/87/553524387.db2.gz XUBHJZLRKMJSAM-MHZLTWQESA-N 0 3 510.682 5.603 50 0 KKAAHN O=C(c1cc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccccc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305591 553531334 /nfs/dbraw/zinc/53/13/34/553531334.db2.gz OWUINTCBNUFMTE-VZLBDIDMSA-N 0 3 521.709 5.756 50 0 KKAAHN O=C(c1cc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305602 553531399 /nfs/dbraw/zinc/53/13/99/553531399.db2.gz OWUINTCBNUFMTE-LBICYLCLSA-N 0 3 521.709 5.756 50 0 KKAAHN CC(C)(C)c1cc2cc(N(C(=O)c3ccc(C(F)(F)F)cc3)C3CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC000016080056 553555204 /nfs/dbraw/zinc/55/52/04/553555204.db2.gz JMXFNACCXBDZLU-UHFFFAOYSA-N 0 3 533.638 7.796 50 0 KKAAHN COCCN(Cc1nc(C(=O)N(CCN(C)C)Cc2ccccc2)cs1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000016459531 553565389 /nfs/dbraw/zinc/56/53/89/553565389.db2.gz LQPDEWAHLDBJHN-UHFFFAOYSA-N 0 3 537.730 5.151 50 0 KKAAHN CCN(CC)CC(=O)Nc1c(C)cc(C(C)(C)c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)cc1C ZINC000016676170 553571707 /nfs/dbraw/zinc/57/17/07/553571707.db2.gz HVXULJIETUICAG-UHFFFAOYSA-N 0 3 508.751 5.807 50 0 KKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000070670211 553600831 /nfs/dbraw/zinc/60/08/31/553600831.db2.gz HFQJBUQVKPUIOI-HSZRJFAPSA-N 0 3 621.167 7.278 50 0 biogenic KKAAHN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000070670197 553601105 /nfs/dbraw/zinc/60/11/05/553601105.db2.gz WRWFLDJHLRERQU-JRLCCATJSA-N 0 3 614.915 9.342 50 0 biogenic KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018042159 553602158 /nfs/dbraw/zinc/60/21/58/553602158.db2.gz VMRLDZUTROYXCR-IARZGTGTSA-N 0 3 516.594 5.324 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018141690 553606021 /nfs/dbraw/zinc/60/60/21/553606021.db2.gz WESRLCLWSYRRLZ-NXCFDTQHSA-N 0 3 506.986 5.579 50 0 KKAAHN c1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000019720139 553615849 /nfs/dbraw/zinc/61/58/49/553615849.db2.gz RMPNSOIFFLUIHP-UHFFFAOYSA-N 0 3 508.665 7.871 50 0 KKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000020355161 553640782 /nfs/dbraw/zinc/64/07/82/553640782.db2.gz WZUPHEDXXYWDIW-SIBAOGJBSA-N 0 3 525.718 6.198 50 0 KKAAHN CC(C)CC[C@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020386597 553644064 /nfs/dbraw/zinc/64/40/64/553644064.db2.gz BUBPACAMFNRYID-NRFANRHFSA-N 0 3 515.521 6.588 50 0 KKAAHN Cc1cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)ccc1Br ZINC000020386614 553644079 /nfs/dbraw/zinc/64/40/79/553644079.db2.gz VJRIEKKGGXLZFL-JOCHJYFZSA-N 0 3 529.548 6.897 50 0 KKAAHN CC[C@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020386546 553644136 /nfs/dbraw/zinc/64/41/36/553644136.db2.gz WBFFGWZLLSMJCY-SFHVURJKSA-N 0 3 503.068 5.860 50 0 KKAAHN COc1cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)CN(C)CC3)cc(OC)c1OC ZINC000020386607 553644165 /nfs/dbraw/zinc/64/41/65/553644165.db2.gz NIIMPCVNCFEEPU-OAQYLSRUSA-N 0 3 526.703 5.852 50 0 KKAAHN c1ccc(-c2oc3ncn4nc(CCN5CCCC[C@H]5c5cccnc5)nc4c3c2-c2ccccc2)cc1 ZINC000020437267 553648631 /nfs/dbraw/zinc/64/86/31/553648631.db2.gz VMUNPUZYQPNZMA-VWLOTQADSA-N 0 3 500.606 6.369 50 0 KKAAHN CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)cc1 ZINC000020608076 553677833 /nfs/dbraw/zinc/67/78/33/553677833.db2.gz LWUXGESXTBRRBD-UHFFFAOYSA-N 0 3 508.662 7.423 50 0 KKAAHN CN(CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)CCc1ccccc1 ZINC000020727072 553690700 /nfs/dbraw/zinc/69/07/00/553690700.db2.gz IGBKOHIFZOHQJE-XHPQRKPJSA-N 0 3 506.071 5.111 50 0 KKAAHN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCN(C5CCCCC5)CC4)cc3N(C)C2=O)c1 ZINC000020737866 553694873 /nfs/dbraw/zinc/69/48/73/553694873.db2.gz AOGPRYSOIZIJIU-XHLNEMQHSA-N 0 3 532.754 5.175 50 0 KKAAHN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000021162947 553708967 /nfs/dbraw/zinc/70/89/67/553708967.db2.gz RZNVSGQGISYDNU-UHFFFAOYSA-N 0 3 521.709 5.390 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H](c1ccccc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000021486924 553709893 /nfs/dbraw/zinc/70/98/93/553709893.db2.gz RMJFSURTHRYTEK-ZPGRZCPFSA-N 0 3 524.712 7.763 50 0 KKAAHN CCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCC2)cc1 ZINC000095740267 553711595 /nfs/dbraw/zinc/71/15/95/553711595.db2.gz UYHDWGIIEJMIPY-ACHIHNKUSA-N 0 3 576.822 7.314 50 0 KKAAHN CCOC(=O)c1c(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)sc(Br)c1-c1ccccc1 ZINC000022037693 553723254 /nfs/dbraw/zinc/72/32/54/553723254.db2.gz JDWXXGVRTHXOHP-IBGZPJMESA-N 0 3 530.488 5.185 50 0 KKAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000096277400 553734396 /nfs/dbraw/zinc/73/43/96/553734396.db2.gz WYDPIKXBPLLKDX-MUUNZHRXSA-N 0 3 525.693 5.749 50 0 KKAAHN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CN1CCN(Cc2ccccc2)CC1 ZINC000022790725 553750750 /nfs/dbraw/zinc/75/07/50/553750750.db2.gz NKKQQYDGUORKPA-UHFFFAOYSA-N 0 3 562.508 5.896 50 0 KKAAHN O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000097940117 553763593 /nfs/dbraw/zinc/76/35/93/553763593.db2.gz KUYHIOPCDBYYEW-PTGVWUEVSA-N 0 3 677.368 5.696 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cncn1-c1cccc(-c2cccc3c4ccccc4sc32)c1 ZINC000097940573 553766132 /nfs/dbraw/zinc/76/61/32/553766132.db2.gz LJPLQJXACBLKJJ-UHFFFAOYSA-N 0 3 542.708 7.302 50 0 KKAAHN OCCN(C/C=C1/c2ccccc2CSc2ccccc21)C/C=C1/c2ccccc2CSc2ccccc21 ZINC000097944322 553769083 /nfs/dbraw/zinc/76/90/83/553769083.db2.gz SSRKGACISNDXPM-LZUTUTKMSA-N 0 3 533.762 7.756 50 0 KKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(OC)cc2)cc3C(F)F)cc1 ZINC000097945841 553774904 /nfs/dbraw/zinc/77/49/04/553774904.db2.gz BGGBNQZFIRYCNU-UHFFFAOYSA-N 0 3 537.567 5.093 50 0 KKAAHN Cc1cccc(C(=O)Nc2ccc3[nH]cc(CCN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3c2)c1 ZINC000023462110 553786545 /nfs/dbraw/zinc/78/65/45/553786545.db2.gz DNHHSMKILAHJRF-UHFFFAOYSA-N 0 3 506.572 6.112 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(Br)c1 ZINC000097954385 553822852 /nfs/dbraw/zinc/82/28/52/553822852.db2.gz DLEMHSYCAFTVFC-QHAWAJNXSA-N 0 3 518.194 5.807 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000097954545 553823790 /nfs/dbraw/zinc/82/37/90/553823790.db2.gz BFHZBYQUUPPMNC-JBOQNHBVSA-N 0 3 538.575 5.855 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000097954559 553824099 /nfs/dbraw/zinc/82/40/99/553824099.db2.gz UPDAUNONDMLKSA-UBFVSLLYSA-N 0 3 523.347 6.444 50 0 KKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000097955063 553827906 /nfs/dbraw/zinc/82/79/06/553827906.db2.gz WVLSRGMTEKHJPE-UHFFFAOYSA-N 0 3 550.150 7.567 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccco1)c1c3nc(CSc4nc5ccccc5o4)nn3cnc1O2 ZINC000097956282 553837314 /nfs/dbraw/zinc/83/73/14/553837314.db2.gz ZEPVKQYRTGUZOV-HSZRJFAPSA-N 0 3 533.573 5.931 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000030726936 553855613 /nfs/dbraw/zinc/85/56/13/553855613.db2.gz UUURWWVPMHAACP-KYJUHHDHSA-N 0 3 622.762 7.162 50 0 in-vitro KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963601 553892175 /nfs/dbraw/zinc/89/21/75/553892175.db2.gz WTKQFFWWDMKMQY-ROUUACIJSA-N 0 3 561.770 5.003 50 0 KKAAHN Cc1ccc(-c2noc(CC(C(=O)CCC(=O)Nc3ccc(C(F)(F)F)cc3)c3nc(-c4ccc(C)cc4)no3)n2)cc1 ZINC000033356860 553945096 /nfs/dbraw/zinc/94/50/96/553945096.db2.gz QTHVYMQMJBJDMZ-XMMPIXPASA-N 0 3 589.574 6.737 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671667 553982377 /nfs/dbraw/zinc/98/23/77/553982377.db2.gz PQQHCQBBIKIGRA-CZNDPXEESA-N 0 3 504.674 6.617 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671785 553982440 /nfs/dbraw/zinc/98/24/40/553982440.db2.gz NUKYPGXWXORPRV-KKLWWLSJSA-N 0 3 518.701 6.925 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671770 553982509 /nfs/dbraw/zinc/98/25/09/553982509.db2.gz OMRZNGCHKCPVCX-JHOUSYSJSA-N 0 3 522.664 6.756 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)C4CCCC4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698108 553991225 /nfs/dbraw/zinc/99/12/25/553991225.db2.gz CNFGSVWYBVOVGZ-WNCULLNHSA-N 0 3 515.620 5.268 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccnc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699125 553992065 /nfs/dbraw/zinc/99/20/65/553992065.db2.gz QBHQFXCSRWJHIQ-SHQCIBLASA-N 0 3 513.579 6.254 50 0 KKAAHN Cc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)o1 ZINC000034699119 553992074 /nfs/dbraw/zinc/99/20/74/553992074.db2.gz CNTXCCWOMMLYHD-HOFKKMOUSA-N 0 3 516.579 6.760 50 0 KKAAHN Cc1ccc(CN2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699140 553992488 /nfs/dbraw/zinc/99/24/88/553992488.db2.gz WHJKGIFSNRYXGY-LBNVMWSVSA-N 0 3 512.616 6.929 50 0 KKAAHN Cc1cc([C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccccc3Cl)C2)ccc1F ZINC000034716816 553995580 /nfs/dbraw/zinc/99/55/80/553995580.db2.gz UXUMWYGVNIKARA-IZLXSDGUSA-N 0 3 520.092 5.738 50 0 KKAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034830257 554015405 /nfs/dbraw/zinc/01/54/05/554015405.db2.gz ZRLFWKYXLLYDCH-PIKZIKFNSA-N 0 3 522.114 5.421 50 0 KKAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833764 554018364 /nfs/dbraw/zinc/01/83/64/554018364.db2.gz NMMMTDOQKTXPFB-UHFFFAOYSA-N 0 3 510.041 5.921 50 0 KKAAHN O[C@H](COc1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097997035 554039249 /nfs/dbraw/zinc/03/92/49/554039249.db2.gz FICDOSLWBCUQQL-COCZKOEFSA-N 0 3 726.962 5.980 50 0 KKAAHN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000035363828 554044722 /nfs/dbraw/zinc/04/47/22/554044722.db2.gz CYIQITBIFVVIGC-JMDPCTNHSA-N 0 3 525.730 5.794 50 0 biogenic KKAAHN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000098005770 554058573 /nfs/dbraw/zinc/05/85/73/554058573.db2.gz GCMDUCWTYQHROX-UHFFFAOYSA-N 0 3 546.659 5.376 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842587 554080886 /nfs/dbraw/zinc/08/08/86/554080886.db2.gz KMHSFFQWXINQFH-LJAQVGFWSA-N 0 3 535.773 5.781 50 0 KKAAHN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035842582 554080927 /nfs/dbraw/zinc/08/09/27/554080927.db2.gz QKJGMSOXOMQNMG-HKBQPEDESA-N 0 3 539.764 6.352 50 0 KKAAHN O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000035871977 554086489 /nfs/dbraw/zinc/08/64/89/554086489.db2.gz GEDCOQQPMHRGRC-IGKIAQTJSA-N 0 3 511.563 5.067 50 0 KKAAHN CN(C)CCNC(=O)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000098019926 554115384 /nfs/dbraw/zinc/11/53/84/554115384.db2.gz RIZGZKPIRDUACJ-UHFFFAOYSA-N 0 3 547.168 6.312 50 0 KKAAHN O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000098031712 554121155 /nfs/dbraw/zinc/12/11/55/554121155.db2.gz KUSMWQBEDHDHSG-CONSDPRKSA-N 0 3 532.688 5.102 50 0 KKAAHN CCOc1cccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)c1 ZINC000098042739 554121810 /nfs/dbraw/zinc/12/18/10/554121810.db2.gz OXGOTXWZZBIMAE-UHFFFAOYSA-N 0 3 574.563 6.790 50 0 KKAAHN CC[C@@H](C)Oc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000098043735 554128637 /nfs/dbraw/zinc/12/86/37/554128637.db2.gz VCPUEKWXSVHDED-OAQYLSRUSA-N 0 3 565.598 8.050 50 0 KKAAHN CC[C@H](C)Oc1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000098043736 554128654 /nfs/dbraw/zinc/12/86/54/554128654.db2.gz VCPUEKWXSVHDED-NRFANRHFSA-N 0 3 565.598 8.050 50 0 KKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036301725 554211878 /nfs/dbraw/zinc/21/18/78/554211878.db2.gz OAIDNJLZMUCPOG-MHZLTWQESA-N 0 3 504.074 6.688 50 0 KKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](O)COCC(C)C ZINC000036301728 554212015 /nfs/dbraw/zinc/21/20/15/554212015.db2.gz VTDPTGBEPFXRNC-VWLOTQADSA-N 0 3 500.083 6.118 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COCc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305203 554214979 /nfs/dbraw/zinc/21/49/79/554214979.db2.gz HGSPAURDIGEDPN-HHHXNRCGSA-N 0 3 532.084 6.323 50 0 KKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036306625 554215796 /nfs/dbraw/zinc/21/57/96/554215796.db2.gz XBIAAOTXVYFJPU-SANMLTNESA-N 0 3 517.645 6.054 50 0 KKAAHN Cc1cccc(Oc2c(CN(C[C@H](O)COc3ccccc3C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306571 554215936 /nfs/dbraw/zinc/21/59/36/554215936.db2.gz VJIVAKBLVRFKIZ-MHZLTWQESA-N 0 3 511.666 6.148 50 0 KKAAHN Cc1ccccc1OC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307314 554216259 /nfs/dbraw/zinc/21/62/59/554216259.db2.gz JESFAUWINSYGDE-SANMLTNESA-N 0 3 515.629 5.979 50 0 KKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036307691 554216347 /nfs/dbraw/zinc/21/63/47/554216347.db2.gz UPEMYMRXWHVOQX-RUZDIDTESA-N 0 3 503.618 5.979 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2c(cccc2C)s1 ZINC000038144542 554266093 /nfs/dbraw/zinc/26/60/93/554266093.db2.gz ZIVNXOZWFYRNTL-UHFFFAOYSA-N 0 3 542.771 5.547 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1nc2c(cccc2OC)s1 ZINC000060209912 554503739 /nfs/dbraw/zinc/50/37/39/554503739.db2.gz HGAPRCPNPAFBOZ-UHFFFAOYSA-N 0 3 578.760 5.435 50 0 KKAAHN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000060291790 554505167 /nfs/dbraw/zinc/50/51/67/554505167.db2.gz HIHOWBSBBDRPDW-PTHRTHQKSA-N 0 3 500.812 7.684 50 0 KKAAHN COc1ccc([C@H]2CC(=O)[C@H]([C@H]3NCCc4ccccc43)C(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100927460 554524646 /nfs/dbraw/zinc/52/46/46/554524646.db2.gz ZQUBRKJSKNTGGQ-YFJHUXEUSA-N 0 3 528.958 5.675 50 0 KKAAHN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CNCCc3ccccc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000100948525 554536762 /nfs/dbraw/zinc/53/67/62/554536762.db2.gz ZBGQGWFREMQLLS-FQEVSTJZSA-N 0 3 568.581 6.685 50 0 KKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997810 554538189 /nfs/dbraw/zinc/53/81/89/554538189.db2.gz GGRFXCGOSHLLEF-CLJLJLNGSA-N 0 3 670.468 7.556 50 0 KKAAHN Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCC(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000068244037 554538493 /nfs/dbraw/zinc/53/84/93/554538493.db2.gz KIKRPEVNWZHOBB-AVLPFNLUSA-N 0 3 615.843 7.668 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101096825 554584661 /nfs/dbraw/zinc/58/46/61/554584661.db2.gz DCMUYFQVYOWONS-CYXNTTPDSA-N 0 3 506.986 5.579 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccn2)[C@@]12c1ccccc1NC2=O ZINC000101133575 554650994 /nfs/dbraw/zinc/65/09/94/554650994.db2.gz HENPRBOQZDFZSD-WFPUBZAHSA-N 0 3 525.608 5.636 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000101213229 554680455 /nfs/dbraw/zinc/68/04/55/554680455.db2.gz KPQPZBXYSSOLFS-WFPUBZAHSA-N 0 3 544.582 5.690 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254654 554695209 /nfs/dbraw/zinc/69/52/09/554695209.db2.gz QBBSIPIANAFSFY-VWLOTQADSA-N 0 3 543.133 5.192 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385853 554750482 /nfs/dbraw/zinc/75/04/82/554750482.db2.gz CRJUZKVLPMHWSH-WDYNHAJCSA-N 0 3 608.768 5.097 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cc(C)cc3C)CCN(C)CC2)C1(C)C ZINC000101386102 554751026 /nfs/dbraw/zinc/75/10/26/554751026.db2.gz ABUUUEDBHBZQHV-RYCFQHDISA-N 0 3 594.800 7.256 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386125 554751231 /nfs/dbraw/zinc/75/12/31/554751231.db2.gz AZJGLKSQJNWUGV-GMCHKSTQSA-N 0 3 582.745 6.340 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)c(OC)c1 ZINC000101386140 554751240 /nfs/dbraw/zinc/75/12/40/554751240.db2.gz HGXJHCTXYDJYPU-VVFBEHOQSA-N 0 3 572.750 5.717 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386116 554751285 /nfs/dbraw/zinc/75/12/85/554751285.db2.gz BHRDUEIPRGSBCH-RYCFQHDISA-N 0 3 595.788 6.397 50 0 KKAAHN COc1ccc(NC(=O)C2(N(C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)C3CC3)CCN(C)CC2)c(OC)c1 ZINC000101386144 554751301 /nfs/dbraw/zinc/75/13/01/554751301.db2.gz HGXJHCTXYDJYPU-OOWIMERYSA-N 0 3 572.750 5.717 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386207 554751394 /nfs/dbraw/zinc/75/13/94/554751394.db2.gz XPSUQOOIMPKGHI-DODOAAEWSA-N 0 3 610.774 6.886 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386178 554751442 /nfs/dbraw/zinc/75/14/42/554751442.db2.gz IRTMCEUDIVAEBN-HKFHRXRESA-N 0 3 606.815 6.199 50 0 KKAAHN CCCN(CCC)CCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2(=O)=O ZINC000101456878 554777591 /nfs/dbraw/zinc/77/75/91/554777591.db2.gz NIRLKUWIZYTVTP-UHFFFAOYSA-N 0 3 547.721 5.148 50 0 KKAAHN Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCCN4CCc5ccccc5C4)cc3)C2=O)c1 ZINC000101506297 554789909 /nfs/dbraw/zinc/78/99/09/554789909.db2.gz MAYDLFROFCKJHW-NHYZDEDTSA-N 0 3 587.789 7.162 50 0 KKAAHN Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000101506741 554791012 /nfs/dbraw/zinc/79/10/12/554791012.db2.gz IJNHMGLHNHLUHN-SRWDPJRNSA-N 0 3 539.745 6.588 50 0 KKAAHN Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000101506737 554791047 /nfs/dbraw/zinc/79/10/47/554791047.db2.gz IJNHMGLHNHLUHN-JEZFPDEOSA-N 0 3 539.745 6.588 50 0 KKAAHN CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN(C)Cc4ccccc4)CC3)s2)cc1 ZINC000101575535 554799111 /nfs/dbraw/zinc/79/91/11/554799111.db2.gz QZGNRHRLDGQVIY-UHFFFAOYSA-N 0 3 587.794 5.194 50 0 KKAAHN Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000101640076 554814238 /nfs/dbraw/zinc/81/42/38/554814238.db2.gz MNXBKXCDWFHVBV-OFWBYEQRSA-N 0 3 540.733 5.042 50 0 KKAAHN CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000101645530 554815390 /nfs/dbraw/zinc/81/53/90/554815390.db2.gz DEHVEXZFSINEGX-VABKMULXSA-N 0 3 589.273 5.415 50 0 KKAAHN CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000101645530 554815392 /nfs/dbraw/zinc/81/53/92/554815392.db2.gz DEHVEXZFSINEGX-VABKMULXSA-N 0 3 589.273 5.415 50 0 KKAAHN CCCN(CC1CC1)C(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000101813336 554839959 /nfs/dbraw/zinc/83/99/59/554839959.db2.gz LGMFPRLQZPBIAK-XZWHSSHBSA-N 0 3 532.773 5.137 50 0 KKAAHN CN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1CC(c1ccccc1)c1ccccc1 ZINC000101871000 554845689 /nfs/dbraw/zinc/84/56/89/554845689.db2.gz UALXBJSMTZVGRQ-VIZCGCQYSA-N 0 3 536.701 6.182 50 0 KKAAHN C[C@H](CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000102034445 554868760 /nfs/dbraw/zinc/86/87/60/554868760.db2.gz VWYBOQZLIDFHCH-HHHXNRCGSA-N 0 3 572.753 5.352 50 0 KKAAHN CN1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000102104862 554882381 /nfs/dbraw/zinc/88/23/81/554882381.db2.gz JZKPYWHSPIQFTQ-OFSOJUDTSA-N 0 3 555.748 5.041 50 0 KKAAHN Cc1ccc(-n2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102131597 554885450 /nfs/dbraw/zinc/88/54/50/554885450.db2.gz QUUWJSRTYUCXFR-UHFFFAOYSA-N 0 3 557.739 5.690 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4c(F)cccc4F)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102135965 554887789 /nfs/dbraw/zinc/88/77/89/554887789.db2.gz JACUDBMFMXBBPT-SQJMNOBHSA-N 0 3 559.579 5.670 50 0 KKAAHN CC(C)(C)c1ccc(/C=C\C(=O)NCCCN2CCN(CCCNC(=O)/C=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000102190765 554894035 /nfs/dbraw/zinc/89/40/35/554894035.db2.gz JIHQDDPOJWHYJV-AXPXABNXSA-N 0 3 572.838 5.638 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000102338806 554912930 /nfs/dbraw/zinc/91/29/30/554912930.db2.gz KSORNOQMJWVUPH-UHFFFAOYSA-N 0 3 541.138 6.419 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccccc2F)CC1 ZINC000102543793 554958506 /nfs/dbraw/zinc/95/85/06/554958506.db2.gz ZPIGOKISZITWOL-BHBYDHKZSA-N 0 3 579.160 5.597 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102576525 554971785 /nfs/dbraw/zinc/97/17/85/554971785.db2.gz WAVLQOGKLZLFIK-LBNVMWSVSA-N 0 3 542.617 6.867 50 0 KKAAHN CCOc1ccc(C(=O)[C@@H](CCCC[C@@H](CN(CC)CC)C(=O)c2ccc(OCC)cc2)CN(CC)CC)cc1 ZINC000102611752 554981679 /nfs/dbraw/zinc/98/16/79/554981679.db2.gz XUCDVCKVFDNGRJ-KYJUHHDHSA-N 0 3 552.800 7.026 50 0 KKAAHN COc1cc(CN2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000102663609 555001118 /nfs/dbraw/zinc/00/11/18/555001118.db2.gz FPEDYRLYOQPEPJ-ZEQKJWHPSA-N 0 3 544.589 6.325 50 0 KKAAHN O=c1sc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000102734012 555024561 /nfs/dbraw/zinc/02/45/61/555024561.db2.gz JBLXWAXDZJLTKI-QHAWAJNXSA-N 0 3 538.412 5.257 50 0 KKAAHN CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000102745196 555036925 /nfs/dbraw/zinc/03/69/25/555036925.db2.gz FZAKQMOUQLKEDH-VJBWXMMDSA-N 0 3 573.274 5.578 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102746739 555039661 /nfs/dbraw/zinc/03/96/61/555039661.db2.gz QVOCJQGIFZXWSY-IDZRBWSNSA-N 0 3 522.601 6.078 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)c1 ZINC000102748257 555042456 /nfs/dbraw/zinc/04/24/56/555042456.db2.gz VCKRTHALUFDKKU-UODIDJSMSA-N 0 3 519.384 6.613 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102751201 555044460 /nfs/dbraw/zinc/04/44/60/555044460.db2.gz DKJWBJSUKOFCSM-ZONZVBGPSA-N 0 3 521.013 5.969 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCCC)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102759347 555051164 /nfs/dbraw/zinc/05/11/64/555051164.db2.gz OYEMGILYTNZQOA-SSBOKUKZSA-N 0 3 530.621 5.714 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000102768429 555056161 /nfs/dbraw/zinc/05/61/61/555056161.db2.gz ZAFDJCICHZAOBI-KWXIBIRDSA-N 0 3 515.396 6.712 50 0 KKAAHN CN(CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)Cc1ccccc1 ZINC000102773655 555062254 /nfs/dbraw/zinc/06/22/54/555062254.db2.gz FKKRLYFJKGSNQW-YQYKVWLJSA-N 0 3 552.074 6.169 50 0 KKAAHN COc1ccc([C@H](C)N(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000102791406 555069047 /nfs/dbraw/zinc/06/90/47/555069047.db2.gz BGILIDOZSPNEAV-SFLNSBMESA-N 0 3 577.737 6.108 50 0 KKAAHN O=C(CCN1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839131 555080489 /nfs/dbraw/zinc/08/04/89/555080489.db2.gz LAKSICSFVMZEAB-SANMLTNESA-N 0 3 528.505 5.377 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000102860614 555091006 /nfs/dbraw/zinc/09/10/06/555091006.db2.gz ODXIADHJUOJQLU-BHIFYINESA-N 0 3 545.444 5.900 50 0 KKAAHN CN(C)c1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000102864362 555093879 /nfs/dbraw/zinc/09/38/79/555093879.db2.gz ULTDZXNXCGCCHO-XPWALMASSA-N 0 3 515.919 5.476 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1OC ZINC000102869268 555098561 /nfs/dbraw/zinc/09/85/61/555098561.db2.gz VSSSKKMRBGOJKO-CYXNTTPDSA-N 0 3 575.876 6.885 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102883585 555112111 /nfs/dbraw/zinc/11/21/11/555112111.db2.gz TWMUDXNVQVFUQP-NLDZOOGBSA-N 0 3 552.558 5.413 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4I)C(=O)C3ON2c2ccccc2)cc1OC ZINC000102883928 555112592 /nfs/dbraw/zinc/11/25/92/555112592.db2.gz ALJBADOISWIGCG-CYXNTTPDSA-N 0 3 598.437 5.530 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102896679 555136894 /nfs/dbraw/zinc/13/68/94/555136894.db2.gz KNTBAPSEJMDMLH-KWXIBIRDSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000103089595 555268518 /nfs/dbraw/zinc/26/85/18/555268518.db2.gz CFQOEZYXNPMYCT-MUUNZHRXSA-N 0 3 596.178 5.110 50 0 KKAAHN CN(C)CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(Cl)c2)C1 ZINC000103124902 555292952 /nfs/dbraw/zinc/29/29/52/555292952.db2.gz WYNMNRLSNXNRJH-YKKMPQLRSA-N 0 3 585.063 5.191 50 0 KKAAHN CN(C)CCNC(=O)[C@]1(OCc2cccc(C(F)(F)F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(Cl)c2)C1 ZINC000103124898 555292968 /nfs/dbraw/zinc/29/29/68/555292968.db2.gz WYNMNRLSNXNRJH-HLPJKERBSA-N 0 3 585.063 5.191 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)OCc4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103190352 555333368 /nfs/dbraw/zinc/33/33/68/555333368.db2.gz QVRWSQYDIQXACY-SVEHJYQDSA-N 0 3 553.625 5.888 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000103371409 555367036 /nfs/dbraw/zinc/36/70/36/555367036.db2.gz UTALXVGLSLOJFH-MUUNZHRXSA-N 0 3 580.179 5.410 50 0 KKAAHN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccc(Cl)cc1)nn2-c1ccc(C)cc1 ZINC000103371276 555367047 /nfs/dbraw/zinc/36/70/47/555367047.db2.gz JIXDRDSFOAJRDK-HKBQPEDESA-N 0 3 604.176 5.357 50 0 KKAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OCc1ccccc1 ZINC000103419523 555399955 /nfs/dbraw/zinc/39/99/55/555399955.db2.gz JJXBSRAAXNVJDB-XIFFEERXSA-N 0 3 587.764 7.011 50 0 KKAAHN COc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCC3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 ZINC000103421073 555401728 /nfs/dbraw/zinc/40/17/28/555401728.db2.gz XNZPHEWWAYWEOK-DHUJRADRSA-N 0 3 587.764 7.011 50 0 KKAAHN CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc54)n3)c2)cc1 ZINC000149984972 562842800 /nfs/dbraw/zinc/84/28/00/562842800.db2.gz OBJNFLYHUXWUPF-IZZDOVSWSA-N 0 3 566.065 6.331 50 0 in-vitro KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@@H]3CC(=O)[C@H]([C@H]4NCCc5ccccc54)C(=O)[C@H]3n3cncn3)c2)cc1 ZINC000248198434 562881628 /nfs/dbraw/zinc/88/16/28/562881628.db2.gz SFFJARIKISDPGV-LYXINOJLSA-N 0 3 534.660 5.738 50 0 KKAAHN OCCN(C/C=C1\c2ccccc2CSc2ccccc21)C/C=C1\c2ccccc2CSc2ccccc21 ZINC000103969669 571370510 /nfs/dbraw/zinc/37/05/10/571370510.db2.gz SSRKGACISNDXPM-YAGSLNJISA-N 0 3 533.762 7.756 50 0 KKAAHN Cc1cc(CN2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042600 571390343 /nfs/dbraw/zinc/39/03/43/571390343.db2.gz RUPCVIAPEOZQPW-WNCULLNHSA-N 0 3 516.579 6.821 50 0 KKAAHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)CN(Cc3ccccc3Cl)C2)C1 ZINC000105046920 571390366 /nfs/dbraw/zinc/39/03/66/571390366.db2.gz GDURILCLJKJVSR-SMIHKQSGSA-N 0 3 501.042 5.195 50 0 KKAAHN O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000105791438 571408577 /nfs/dbraw/zinc/40/85/77/571408577.db2.gz MAIWFRLTLAWYSJ-PWRODBHTSA-N 0 3 572.857 5.910 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105796024 571408656 /nfs/dbraw/zinc/40/86/56/571408656.db2.gz HUFSSWPPXLWONS-IDZRBWSNSA-N 0 3 555.030 6.369 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000105795747 571408784 /nfs/dbraw/zinc/40/87/84/571408784.db2.gz BBOHAIIIDKKKOY-JCYYIGJDSA-N 0 3 556.521 5.244 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000105796842 571408853 /nfs/dbraw/zinc/40/88/53/571408853.db2.gz NJMUSOJLJZIDAC-ZONZVBGPSA-N 0 3 559.405 6.264 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000105796752 571408867 /nfs/dbraw/zinc/40/88/67/571408867.db2.gz BDJWIZPTFYWCMS-KKUQBAQOSA-N 0 3 551.437 5.688 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000105906383 571409347 /nfs/dbraw/zinc/40/93/47/571409347.db2.gz LDFOLHSLSBNNIK-YTFSRNRJSA-N 0 3 516.903 5.809 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000106014576 571410362 /nfs/dbraw/zinc/41/03/62/571410362.db2.gz ODEHUGNLBCBGRS-HZFUHODCSA-N 0 3 563.437 7.093 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000106018479 571410460 /nfs/dbraw/zinc/41/04/60/571410460.db2.gz TZUNLFJDWCLZIL-IDZRBWSNSA-N 0 3 599.481 6.396 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000106018366 571410505 /nfs/dbraw/zinc/41/05/05/571410505.db2.gz YRTFIEWOVFCHFC-OYUWMTPXSA-N 0 3 569.411 5.719 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000106018627 571410545 /nfs/dbraw/zinc/41/05/45/571410545.db2.gz BNIOAGSFSYMSRP-FRXPANAUSA-N 0 3 564.594 5.364 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000106018823 571410766 /nfs/dbraw/zinc/41/07/66/571410766.db2.gz AAAJFWWGPFFRCY-MPFGFTFXSA-N 0 3 603.444 6.227 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000106021167 571410940 /nfs/dbraw/zinc/41/09/40/571410940.db2.gz GWKJFVPKSTWKQX-FRXPANAUSA-N 0 3 582.584 5.503 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000106020637 571410946 /nfs/dbraw/zinc/41/09/46/571410946.db2.gz XQCRCPJDQNIMTH-GMQQYTKMSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106534666 571412812 /nfs/dbraw/zinc/41/28/12/571412812.db2.gz OIRWBXMOGKGXBN-JCYYIGJDSA-N 0 3 599.437 5.728 50 0 KKAAHN Clc1ccc2c(c1)C[C@@H](S[C@H](CCN1CCN(Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800585 571426635 /nfs/dbraw/zinc/42/66/35/571426635.db2.gz FRNBINOLPGJIEE-ZFEZZJPFSA-N 0 3 571.255 8.771 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137626194 571450461 /nfs/dbraw/zinc/45/04/61/571450461.db2.gz HSHCZSPOSYRBCV-UPRLRBBYSA-N 0 3 516.594 5.324 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000137626194 571450462 /nfs/dbraw/zinc/45/04/62/571450462.db2.gz HSHCZSPOSYRBCV-UPRLRBBYSA-N 0 3 516.594 5.324 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137836444 571450694 /nfs/dbraw/zinc/45/06/94/571450694.db2.gz WKXZDSIZVUCERD-ISJGIBHGSA-N 0 3 505.357 6.305 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000137932365 571450889 /nfs/dbraw/zinc/45/08/89/571450889.db2.gz CMVWLEGROGMBLI-OYUWMTPXSA-N 0 3 504.558 5.454 50 0 KKAAHN CCCC[C@@H]1Oc2ccccc2[C@H]1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000150339758 571457664 /nfs/dbraw/zinc/45/76/64/571457664.db2.gz YOBBAFJNSYRSGE-XZOQPEGZSA-N 0 3 647.335 6.534 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CCN(C)CC2)c(OC)c1 ZINC000150346461 571460503 /nfs/dbraw/zinc/46/05/03/571460503.db2.gz CEERNENOLDVHOO-MUUNZHRXSA-N 0 3 669.770 5.086 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000150346646 571460571 /nfs/dbraw/zinc/46/05/71/571460571.db2.gz HKBHXZSLPKDQER-QEUWPVIXSA-N 0 3 688.879 8.203 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000150346635 571460634 /nfs/dbraw/zinc/46/06/34/571460634.db2.gz AZLDHAXKHQJGGK-CYEXUTLASA-N 0 3 673.824 7.823 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000150346639 571460638 /nfs/dbraw/zinc/46/06/38/571460638.db2.gz XBNVUWBMHHIFIC-BVGRYSDNSA-N 0 3 690.807 7.774 50 0 KKAAHN Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)c1 ZINC000150389243 571471627 /nfs/dbraw/zinc/47/16/27/571471627.db2.gz SWDGZSIFJNOIAX-QGOAFFKASA-N 0 3 691.831 10.560 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389232 571471644 /nfs/dbraw/zinc/47/16/44/571471644.db2.gz NIYHSLWTUQKPHU-KGENOOAVSA-N 0 3 677.804 10.413 50 0 KKAAHN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)[C@@H](C)N(c4ccccc4)C3=O)c2)c(C(C)(C)CC)c1 ZINC000150483862 571514632 /nfs/dbraw/zinc/51/46/32/571514632.db2.gz GXNLGABIANNWMM-CXNHSUMOSA-N 0 3 759.388 9.293 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000150596592 571522337 /nfs/dbraw/zinc/52/23/37/571522337.db2.gz XBNVUWBMHHIFIC-YTWZBVJHSA-N 0 3 690.807 7.774 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150616918 571523196 /nfs/dbraw/zinc/52/31/96/571523196.db2.gz XFDMPGBBAKVYPR-IKYOIFQTSA-N 0 3 648.852 5.970 50 0 KKAAHN CCOC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680302 571556753 /nfs/dbraw/zinc/55/67/53/571556753.db2.gz QIMXNGXATPZSKZ-WMZHIEFXSA-N 0 3 502.055 5.633 50 0 KKAAHN Cc1ccccc1C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169681617 571557420 /nfs/dbraw/zinc/55/74/20/571557420.db2.gz PQDBPBCIWVBSMH-MUAVYFROSA-N 0 3 501.696 5.076 50 0 KKAAHN O=C1c2ccccc2[C@H]([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)C(=O)N1c1ccc2c(c1)OCO2 ZINC000195529726 571563464 /nfs/dbraw/zinc/56/34/64/571563464.db2.gz DQPCOOIKAATCSW-GSEMILKTSA-N 0 3 562.025 6.297 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000217625815 571602003 /nfs/dbraw/zinc/60/20/03/571602003.db2.gz SCXOKRYRXXXEEK-PCCBWWKXSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000299755487 572134280 /nfs/dbraw/zinc/13/42/80/572134280.db2.gz DMUARAYHMTUKQH-HHHXNRCGSA-N 0 3 535.692 5.330 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226815573 572142170 /nfs/dbraw/zinc/14/21/70/572142170.db2.gz ACMGXGJEOXNCQB-OYUWMTPXSA-N 0 3 521.013 5.969 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226832144 572142517 /nfs/dbraw/zinc/14/25/17/572142517.db2.gz FYUFHMAAIMMXGC-OJDZSJEKSA-N 0 3 540.575 6.110 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000226888573 572144420 /nfs/dbraw/zinc/14/44/20/572144420.db2.gz KPQPZBXYSSOLFS-AOFBEVEVSA-N 0 3 544.582 5.690 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000226888573 572144423 /nfs/dbraw/zinc/14/44/23/572144423.db2.gz KPQPZBXYSSOLFS-AOFBEVEVSA-N 0 3 544.582 5.690 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227242445 572152328 /nfs/dbraw/zinc/15/23/28/572152328.db2.gz MERBINIMWJKIGN-UPRLRBBYSA-N 0 3 572.976 5.758 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000229887881 572165207 /nfs/dbraw/zinc/16/52/07/572165207.db2.gz FWUSQWTUKCTQJP-PWRODBHTSA-N 0 3 517.301 5.519 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000229887881 572165210 /nfs/dbraw/zinc/16/52/10/572165210.db2.gz FWUSQWTUKCTQJP-PWRODBHTSA-N 0 3 517.301 5.519 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000229894891 572166544 /nfs/dbraw/zinc/16/65/44/572166544.db2.gz PTDBYXRJBFKEMT-NEEDMVDMSA-N 0 3 590.767 6.459 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000229905541 572168042 /nfs/dbraw/zinc/16/80/42/572168042.db2.gz ZDHMENHNRNTZHL-OYUWMTPXSA-N 0 3 561.015 5.159 50 0 KKAAHN O=C(c1cccs1)C1[C@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229927232 572170826 /nfs/dbraw/zinc/17/08/26/572170826.db2.gz KYYFKOQRQJVVSI-VFJZKXQJSA-N 0 3 581.491 6.367 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(I)cc1 ZINC000229936584 572171918 /nfs/dbraw/zinc/17/19/18/572171918.db2.gz QCWDHMZAYZRCDK-PWRODBHTSA-N 0 3 575.200 5.105 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000229939985 572171993 /nfs/dbraw/zinc/17/19/93/572171993.db2.gz MNGDKBFIEHHTNZ-ISJGIBHGSA-N 0 3 574.247 7.611 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229939985 572171996 /nfs/dbraw/zinc/17/19/96/572171996.db2.gz MNGDKBFIEHHTNZ-ISJGIBHGSA-N 0 3 574.247 7.611 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229943720 572172567 /nfs/dbraw/zinc/17/25/67/572172567.db2.gz XDHCAZPPMAKEJD-KVOHOPFUSA-N 0 3 574.608 5.699 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000229949019 572173170 /nfs/dbraw/zinc/17/31/70/572173170.db2.gz FSTVWFOEGZOODZ-BQUCCUTGSA-N 0 3 551.067 6.566 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000229986006 572176802 /nfs/dbraw/zinc/17/68/02/572176802.db2.gz JACJOPKJWBWRCX-OVDFTCDZSA-N 0 3 502.595 5.604 50 0 KKAAHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000229978974 572176824 /nfs/dbraw/zinc/17/68/24/572176824.db2.gz WFPOBVUWSZPAPJ-BHDDXSALSA-N 0 3 502.876 5.419 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000230023510 572179619 /nfs/dbraw/zinc/17/96/19/572179619.db2.gz WTJIPHOSJJPFAA-OYUWMTPXSA-N 0 3 549.410 6.703 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000230033673 572180660 /nfs/dbraw/zinc/18/06/60/572180660.db2.gz GQBTWXTZAZMSLV-UPRLRBBYSA-N 0 3 510.977 5.970 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCCC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000230032901 572180684 /nfs/dbraw/zinc/18/06/84/572180684.db2.gz OYEMGILYTNZQOA-ZGIBFIJWSA-N 0 3 530.621 5.714 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000230080174 572182740 /nfs/dbraw/zinc/18/27/40/572182740.db2.gz FNDYDIKFWGWYQF-JDONGJSOSA-N 0 3 536.628 5.292 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000230075543 572182776 /nfs/dbraw/zinc/18/27/76/572182776.db2.gz OINBOBWIHPBJSO-PWRODBHTSA-N 0 3 528.200 5.263 50 0 KKAAHN COc1cc(CN2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000230156069 572184461 /nfs/dbraw/zinc/18/44/61/572184461.db2.gz FPEDYRLYOQPEPJ-BVAGGSTKSA-N 0 3 544.589 6.325 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000230189475 572184911 /nfs/dbraw/zinc/18/49/11/572184911.db2.gz CKXIUWLCPFUSTG-KCKIENPLSA-N 0 3 536.678 6.364 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000238901394 572188992 /nfs/dbraw/zinc/18/89/92/572188992.db2.gz LYACREYTWOSDBD-DNVJHFABSA-N 0 3 525.026 5.555 50 0 KKAAHN O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000245239861 572213534 /nfs/dbraw/zinc/21/35/34/572213534.db2.gz GGJSBAVHTXLFCL-ALBQUZEBSA-N 0 3 537.040 6.258 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239861 572213536 /nfs/dbraw/zinc/21/35/36/572213536.db2.gz GGJSBAVHTXLFCL-ALBQUZEBSA-N 0 3 537.040 6.258 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000245246406 572219423 /nfs/dbraw/zinc/21/94/23/572219423.db2.gz KROIFPPGQFBDDD-WFQWJIHPSA-N 0 3 628.669 6.635 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245247499 572220900 /nfs/dbraw/zinc/22/09/00/572220900.db2.gz TXPDZRGFCPSHFU-MKYOLNSUSA-N 0 3 562.647 5.621 50 0 KKAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@@H](O)COCc1ccccc1 ZINC000245289665 572226330 /nfs/dbraw/zinc/22/63/30/572226330.db2.gz DIFHZIUDXDUUFQ-SHQCIBLASA-N 0 3 507.675 5.137 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245309742 572227458 /nfs/dbraw/zinc/22/74/58/572227458.db2.gz FXNTZKVFCSKVPN-ACIRYHQQSA-N 0 3 508.593 5.804 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245309776 572227632 /nfs/dbraw/zinc/22/76/32/572227632.db2.gz GFWSHDWZDDBACX-OVDFTCDZSA-N 0 3 517.610 5.389 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000245309775 572227649 /nfs/dbraw/zinc/22/76/49/572227649.db2.gz GFWSHDWZDDBACX-KCKIENPLSA-N 0 3 517.610 5.389 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000245310112 572228037 /nfs/dbraw/zinc/22/80/37/572228037.db2.gz HWNDGFQPGNFMEN-BQUCCUTGSA-N 0 3 531.637 5.698 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311020 572228854 /nfs/dbraw/zinc/22/88/54/572228854.db2.gz LNTPTLAVZQVZQM-UODPJZIASA-N 0 3 546.026 5.900 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000245312791 572230224 /nfs/dbraw/zinc/23/02/24/572230224.db2.gz XBGLYYZHIOZHGA-TZRRMPRUSA-N 0 3 512.484 5.425 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)cc1 ZINC000245312641 572230280 /nfs/dbraw/zinc/23/02/80/572230280.db2.gz WTJIPHOSJJPFAA-ZONZVBGPSA-N 0 3 549.410 6.703 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000247857274 572246567 /nfs/dbraw/zinc/24/65/67/572246567.db2.gz KYYFKOQRQJVVSI-BYBRNZAOSA-N 0 3 581.491 6.367 50 0 KKAAHN CC[C@@H](C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248084249 572253214 /nfs/dbraw/zinc/25/32/14/572253214.db2.gz KJVJFTYMPTXSBF-FYBSXPHGSA-N 0 3 515.723 5.259 50 0 KKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000248126341 572254435 /nfs/dbraw/zinc/25/44/35/572254435.db2.gz VARBROKZCAHOAP-UHSQPCAPSA-N 0 3 526.618 7.167 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248209121 572256627 /nfs/dbraw/zinc/25/66/27/572256627.db2.gz CKYFFCMWEQOLFE-IGKIAQTJSA-N 0 3 530.581 6.998 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccnc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248245040 572256984 /nfs/dbraw/zinc/25/69/84/572256984.db2.gz QBHQFXCSRWJHIQ-IGKIAQTJSA-N 0 3 513.579 6.254 50 0 KKAAHN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252441426 572261005 /nfs/dbraw/zinc/26/10/05/572261005.db2.gz UVVRCAOQNORAME-WEPQIIBJSA-N 0 3 525.862 8.816 50 0 KKAAHN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253498614 572292683 /nfs/dbraw/zinc/29/26/83/572292683.db2.gz CYIQITBIFVVIGC-YTHRSYQPSA-N 0 3 525.730 5.794 50 0 KKAAHN C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)C[C@@H](C)N1Cc1ccccc1 ZINC000253604363 572300803 /nfs/dbraw/zinc/30/08/03/572300803.db2.gz UENGATVDXBEDDZ-GEBXHLAXSA-N 0 3 570.181 6.071 50 0 KKAAHN CN(Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101856435 1069820773 /nfs/dbraw/zinc/82/07/73/1069820773.db2.gz ZBIJYGKQNNZRCE-SSEXGKCCSA-N 0 3 562.758 6.788 50 0 KKAAHN CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936670 1069824226 /nfs/dbraw/zinc/82/42/26/1069824226.db2.gz JBLOXHQFXNLXLO-MHZLTWQESA-N 0 3 545.687 6.188 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000102706220 1069864622 /nfs/dbraw/zinc/86/46/22/1069864622.db2.gz WGYULRUSXDDPDI-UHFFFAOYSA-N 0 3 550.728 5.918 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3cccc4ccccc43)C2)cc1OC ZINC000199305523 1071135628 /nfs/dbraw/zinc/13/56/28/1071135628.db2.gz SGGIMIRNDIXKNN-IZZNHLLZSA-N 0 3 555.650 5.389 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cncs2)c1)Cc1cccc2cccnc21 ZINC000012219023 1071239353 /nfs/dbraw/zinc/23/93/53/1071239353.db2.gz IACHRYYGUZIACD-VWLOTQADSA-N 0 3 500.668 5.787 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000200489532 1071290373 /nfs/dbraw/zinc/29/03/73/1071290373.db2.gz HUULMZMICOBDHC-UKILVPOCSA-N 0 3 595.662 6.080 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000200507471 1071290497 /nfs/dbraw/zinc/29/04/97/1071290497.db2.gz CDZYGBZDMAARKI-UKILVPOCSA-N 0 3 545.655 5.200 50 0 KKAAHN COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccc(OC)c(OC)c2)C1 ZINC000200501779 1071290677 /nfs/dbraw/zinc/29/06/77/1071290677.db2.gz DANYENRHJBNSQK-LADGPHEKSA-N 0 3 572.624 5.565 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)NC3CCCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014742695 1072892480 /nfs/dbraw/zinc/89/24/80/1072892480.db2.gz MANHWGIYZVYBLX-FCHUYYIVSA-N 0 3 534.619 5.689 50 0 KKAAHN Cc1nc(C(=O)N2CCN(CCOc3ccc(CN(C)Cc4cc5ccccc5s4)cc3)CC2)cs1 ZINC000020294888 1072898234 /nfs/dbraw/zinc/89/82/34/1072898234.db2.gz KOYIZOSCXLAZSG-UHFFFAOYSA-N 0 3 520.724 5.135 50 0 KKAAHN C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H](O)[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)N3[C@H]4O)CC[C@@H]12 ZINC001501058422 1072922405 /nfs/dbraw/zinc/92/24/05/1072922405.db2.gz DYEOLAMWQVWASS-QMARKCQSSA-N 0 3 526.743 5.943 50 0 KKAAHN O=S(=O)(c1ccccc1)N(C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1)c1cccc2ccccc21 ZINC000001781245 551698351 /nfs/dbraw/zinc/69/83/51/551698351.db2.gz WADUASDYGFYHCL-PMERELPUSA-N 0 3 536.697 6.098 50 0 KKAAHN Cc1cccc(N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000001808743 551705049 /nfs/dbraw/zinc/70/50/49/551705049.db2.gz CCFSAYGXFQLIAW-LJAQVGFWSA-N 0 3 500.664 5.254 50 0 KKAAHN COc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccc(F)cc1 ZINC000001833399 551711967 /nfs/dbraw/zinc/71/19/67/551711967.db2.gz CJPYDAUMPBKTBW-WJOKGBTCSA-N 0 3 508.593 6.709 50 0 biogenic KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000001872377 551719949 /nfs/dbraw/zinc/71/99/49/551719949.db2.gz YRTFIEWOVFCHFC-PFBJBMPXSA-N 0 3 569.411 5.719 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000001874482 551721129 /nfs/dbraw/zinc/72/11/29/551721129.db2.gz PTDBYXRJBFKEMT-CRERUNJKSA-N 0 3 590.767 6.459 50 0 KKAAHN O=C1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](CCc3ccccc3)N12 ZINC000002095373 551761262 /nfs/dbraw/zinc/76/12/62/551761262.db2.gz YQDSLHNSWXPUOW-ZWXJPIIXSA-N 0 3 546.715 5.350 50 0 biogenic KKAAHN O=C1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)cc3)N12 ZINC000002157686 551780075 /nfs/dbraw/zinc/78/00/75/551780075.db2.gz QCGKJFANOUDJNU-BHDXBOSCSA-N 0 3 553.106 5.418 50 0 biogenic KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002199548 551792500 /nfs/dbraw/zinc/79/25/00/551792500.db2.gz FYUFHMAAIMMXGC-YPKYBTACSA-N 0 3 540.575 6.110 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002258160 551803388 /nfs/dbraw/zinc/80/33/88/551803388.db2.gz MIDUIQKOYYYSTN-NJDAHSKKSA-N 0 3 517.301 5.519 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000002418362 552115519 /nfs/dbraw/zinc/11/55/19/552115519.db2.gz LRMJHMLBWTVHRI-NXCFDTQHSA-N 0 3 541.431 6.232 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002424123 552116435 /nfs/dbraw/zinc/11/64/35/552116435.db2.gz KPHCPOAPZBEPFP-JBOQNHBVSA-N 0 3 538.575 5.855 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C1=O ZINC000002604738 552135530 /nfs/dbraw/zinc/13/55/30/552135530.db2.gz LRQBUERZYYWJBX-UPRLRBBYSA-N 0 3 575.042 5.467 50 0 KKAAHN Cc1ccccc1S(=O)(=O)N(C[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000002948060 552228264 /nfs/dbraw/zinc/22/82/64/552228264.db2.gz ZWTZIIBHLDQLQX-LJAQVGFWSA-N 0 3 500.664 5.254 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000002968359 552240217 /nfs/dbraw/zinc/24/02/17/552240217.db2.gz KBKBYVIKJLGJJN-CLJLJLNGSA-N 0 3 571.678 5.204 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000002968358 552240227 /nfs/dbraw/zinc/24/02/27/552240227.db2.gz KBKBYVIKJLGJJN-UIOOFZCWSA-N 0 3 571.678 5.204 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059595 552281823 /nfs/dbraw/zinc/28/18/23/552281823.db2.gz JXSOVLKVYPLJEC-DIBXZPPDSA-N 0 3 502.014 5.132 50 0 KKAAHN COc1ccc(C[C@H]2c3cc(OCc4ccccc4)c(OC)cc3CCN2C)cc1OCc1ccccc1 ZINC000003124420 552291251 /nfs/dbraw/zinc/29/12/51/552291251.db2.gz KPLQJTFFMWUSLS-LJAQVGFWSA-N 0 3 509.646 6.634 50 0 KKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 ZINC000003357796 552369807 /nfs/dbraw/zinc/36/98/07/552369807.db2.gz UIIXIRBNVVKQFK-UHFFFAOYSA-N 0 3 514.601 5.738 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000006166813 552556872 /nfs/dbraw/zinc/55/68/72/552556872.db2.gz ZIZIEIARYJBXTK-UHFFFAOYSA-N 0 3 639.711 8.898 50 0 KKAAHN Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166776 552556946 /nfs/dbraw/zinc/55/69/46/552556946.db2.gz CHSCAGFQHABSLM-UHFFFAOYSA-N 0 3 609.685 8.863 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@H](CC[C@@H](CN(C)C)C(=O)c2ccc(OCCCC)cc2)CN(C)C)cc1 ZINC000006480882 552593670 /nfs/dbraw/zinc/59/36/70/552593670.db2.gz FPDLWBOUWZTYBH-HNRBIFIRSA-N 0 3 524.746 6.246 50 0 KKAAHN CCCCOc1ccc(C(=O)[C@@H](CC[C@@H](CN(C)C)C(=O)c2ccc(OCCCC)cc2)CN(C)C)cc1 ZINC000006480875 552593732 /nfs/dbraw/zinc/59/37/32/552593732.db2.gz FPDLWBOUWZTYBH-NSOVKSMOSA-N 0 3 524.746 6.246 50 0 KKAAHN CCOc1ccc(C(=O)[C@H](CC[C@H](CN(CC)CC)C(=O)c2ccc(OCC)cc2)CN(CC)CC)cc1 ZINC000006511909 552597496 /nfs/dbraw/zinc/59/74/96/552597496.db2.gz ASTADIVAIXQGGP-VSGBNLITSA-N 0 3 524.746 6.246 50 0 KKAAHN CCOc1ccc(C(=O)[C@@H](CC[C@@H](CN(CC)CC)C(=O)c2ccc(OCC)cc2)CN(CC)CC)cc1 ZINC000006511914 552597507 /nfs/dbraw/zinc/59/75/07/552597507.db2.gz ASTADIVAIXQGGP-NSOVKSMOSA-N 0 3 524.746 6.246 50 0 KKAAHN CCN(CC)C[C@@H](CCCC[C@H](CN(CC)CC)C(=O)c1ccc(OC)cc1)C(=O)c1ccc(OC)cc1 ZINC000006511903 552597517 /nfs/dbraw/zinc/59/75/17/552597517.db2.gz ZOUPXVVZRXSCPM-VSGBNLITSA-N 0 3 524.746 6.246 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCN(c2ccccn2)CC1 ZINC000008397007 552995955 /nfs/dbraw/zinc/99/59/55/552995955.db2.gz HUQZVZVBAHOFTA-MUUNZHRXSA-N 0 3 502.662 5.862 50 0 KKAAHN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454574 553069286 /nfs/dbraw/zinc/06/92/86/553069286.db2.gz FFKCDBDXHGVPGQ-JTTALYROSA-N 0 3 626.949 6.686 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000008696042 553125581 /nfs/dbraw/zinc/12/55/81/553125581.db2.gz NUWQCCWWFGRSRO-QTQRRKOQSA-N 0 3 623.817 6.943 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000008749375 553134884 /nfs/dbraw/zinc/13/48/84/553134884.db2.gz TYYREJHFKQVTIJ-BVGRYSDNSA-N 0 3 622.810 6.755 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000008749468 553134956 /nfs/dbraw/zinc/13/49/56/553134956.db2.gz AZJGLKSQJNWUGV-AKGWNBJDSA-N 0 3 582.745 6.340 50 0 KKAAHN O=C(NCCN1CCCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008911946 553184955 /nfs/dbraw/zinc/18/49/55/553184955.db2.gz WSERYLKBINZIQB-UHFFFAOYSA-N 0 3 503.647 5.127 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000009013270 553200166 /nfs/dbraw/zinc/20/01/66/553200166.db2.gz WQAQLDOMJVZVAW-CKXMCULTSA-N 0 3 516.622 5.913 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009111384 553210275 /nfs/dbraw/zinc/21/02/75/553210275.db2.gz JACJOPKJWBWRCX-ANOKCIKSSA-N 0 3 502.595 5.604 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000009159762 553215487 /nfs/dbraw/zinc/21/54/87/553215487.db2.gz AVFPRVAOUSFFCL-PFBJBMPXSA-N 0 3 508.505 5.096 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000009281610 553233472 /nfs/dbraw/zinc/23/34/72/553233472.db2.gz LHOFLAMJQVVUJR-DSNGMDLFSA-N 0 3 515.363 5.760 50 0 KKAAHN CC(C)Oc1ccc(-c2nc3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000009332033 553242899 /nfs/dbraw/zinc/24/28/99/553242899.db2.gz SCUNCYACYQJMAP-UHFFFAOYSA-N 0 3 514.673 6.996 50 0 KKAAHN CC[C@H](C)N(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433698 553263549 /nfs/dbraw/zinc/26/35/49/553263549.db2.gz ZMIQZIMIKPRVMV-UNUDWIFVSA-N 0 3 533.738 6.371 50 0 KKAAHN Cc1nn2c(nc(C)c(CCC(=O)NCCN3CCC(Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000009609868 553288167 /nfs/dbraw/zinc/28/81/67/553288167.db2.gz BWACCMZVTZKDNS-UHFFFAOYSA-N 0 3 509.698 5.325 50 0 KKAAHN CN1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccsc2)C3)C1 ZINC000011813094 553343492 /nfs/dbraw/zinc/34/34/92/553343492.db2.gz NTODEFXBXUEMQA-OAQYLSRUSA-N 0 3 511.087 5.753 50 0 KKAAHN CC(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)cc1 ZINC000012152084 553352821 /nfs/dbraw/zinc/35/28/21/553352821.db2.gz JBJLHJKAMZJWAN-UHFFFAOYSA-N 0 3 522.649 5.509 50 0 KKAAHN O=C1CC[C@@H]2CN(Cc3cccc(OCc4ccccc4)c3)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000012161393 553352915 /nfs/dbraw/zinc/35/29/15/553352915.db2.gz LXSAKYQQPNKRBO-NAKRPHOHSA-N 0 3 508.584 6.298 50 0 KKAAHN Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2ccc(CN(C)Cc3cccc4ncccc34)cc2)cc1 ZINC000012156798 553352986 /nfs/dbraw/zinc/35/29/86/553352986.db2.gz KSUVYWWDWQLDER-GDLZYMKVSA-N 0 3 507.678 6.639 50 0 KKAAHN CN(Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012191591 553353616 /nfs/dbraw/zinc/35/36/16/553353616.db2.gz NETWJYZJFALTNH-SANMLTNESA-N 0 3 535.754 5.262 50 0 KKAAHN COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CCN(C)C)C(=O)c3csc(C)n3)cc12 ZINC000012247834 553355473 /nfs/dbraw/zinc/35/54/73/553355473.db2.gz DDDIOEXNYMRJMS-UHFFFAOYSA-N 0 3 504.656 5.196 50 0 KKAAHN O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000012623415 553404334 /nfs/dbraw/zinc/40/43/34/553404334.db2.gz OYHGAJKOVZFOIN-UHFFFAOYSA-N 0 3 512.657 6.851 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000013750774 553487938 /nfs/dbraw/zinc/48/79/38/553487938.db2.gz BLLRUNKKUOJOSY-HHHXNRCGSA-N 0 3 516.483 6.862 50 0 KKAAHN O=C(c1cc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000015305598 553531405 /nfs/dbraw/zinc/53/14/05/553531405.db2.gz OWUINTCBNUFMTE-UFHJSVPCSA-N 0 3 521.709 5.756 50 0 KKAAHN Cc1cccc(NC(=O)c2c(NC(=O)CNCCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015946748 553544675 /nfs/dbraw/zinc/54/46/75/553544675.db2.gz GNCZTSGCXUIPDV-QFIPXVFZSA-N 0 3 503.712 6.231 50 0 KKAAHN CS(=O)(=O)c1ccc(CN(C(=O)Nc2ccc(F)cc2F)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000016080235 553555381 /nfs/dbraw/zinc/55/53/81/553555381.db2.gz IDDPJCDOQKANML-UHFFFAOYSA-N 0 3 513.610 5.067 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000070664863 553595222 /nfs/dbraw/zinc/59/52/22/553595222.db2.gz UUURWWVPMHAACP-XZWHSSHBSA-N 0 3 622.762 7.162 50 0 biogenic,in-vitro KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000017949714 553600706 /nfs/dbraw/zinc/60/07/06/553600706.db2.gz FGOMSAZEUOUEFS-VJGNERBWSA-N 0 3 504.558 5.454 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018061410 553602522 /nfs/dbraw/zinc/60/25/22/553602522.db2.gz SSMXUCCOZRWLOK-OCBJUFRSSA-N 0 3 522.601 6.078 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OC ZINC000018069057 553603400 /nfs/dbraw/zinc/60/34/00/553603400.db2.gz DCMUYFQVYOWONS-NXCFDTQHSA-N 0 3 506.986 5.579 50 0 KKAAHN Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)CN3CCN(Cc4ccccc4)CC3)c2c(C)c1 ZINC000019901522 553632903 /nfs/dbraw/zinc/63/29/03/553632903.db2.gz QVSJUZROQOEMMG-JGCGQSQUSA-N 0 3 529.728 6.771 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCN4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000020355188 553640841 /nfs/dbraw/zinc/64/08/41/553640841.db2.gz AEWNPPTVLIFGOE-YBMXKYEKSA-N 0 3 509.650 5.566 50 0 KKAAHN CC[C@@]1(C)Cc2c(sc3nc(SC)nc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c23)CO1 ZINC000020358006 553642657 /nfs/dbraw/zinc/64/26/57/553642657.db2.gz NLCXRBUJZZGIOB-PMERELPUSA-N 0 3 530.763 6.566 50 0 KKAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020412765 553647095 /nfs/dbraw/zinc/64/70/95/553647095.db2.gz IBCOGKCITUYAKE-YBLDIBISSA-N 0 3 519.129 6.505 50 0 biogenic KKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000020412846 553647361 /nfs/dbraw/zinc/64/73/61/553647361.db2.gz GCGDEQDQFMMORL-GHCYLAGUSA-N 0 3 519.129 6.361 50 0 biogenic KKAAHN CC(C)(C)c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000020519267 553669203 /nfs/dbraw/zinc/66/92/03/553669203.db2.gz RSLGWEYELIKWRU-UHFFFAOYSA-N 0 3 501.678 6.605 50 0 KKAAHN CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000020611949 553679681 /nfs/dbraw/zinc/67/96/81/553679681.db2.gz CVOXPHSKZYIAOW-UUEOAETPSA-N 0 3 518.648 5.906 50 0 biogenic KKAAHN Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCN3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000020726568 553690175 /nfs/dbraw/zinc/69/01/75/553690175.db2.gz MXBVWNNGKJARKX-SWKFRHMKSA-N 0 3 525.718 5.546 50 0 KKAAHN O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCCN(CCc1ccccc1)Cc1ccco1 ZINC000020864712 553700713 /nfs/dbraw/zinc/70/07/13/553700713.db2.gz ZQMYXERZGSSVKT-UHFFFAOYSA-N 0 3 526.662 5.037 50 0 KKAAHN CCOc1ccc(C(=O)[C@H](CCCC[C@H](CN2CCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCC2)cc1 ZINC000095740272 553711624 /nfs/dbraw/zinc/71/16/24/553711624.db2.gz UYHDWGIIEJMIPY-ROJLCIKYSA-N 0 3 576.822 7.314 50 0 KKAAHN CCn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21 ZINC000095930185 553715293 /nfs/dbraw/zinc/71/52/93/553715293.db2.gz DHKFOIHIUYFSOF-UHFFFAOYSA-N 0 3 513.404 5.078 50 0 in-vitro KKAAHN CCOc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096278987 553735760 /nfs/dbraw/zinc/73/57/60/553735760.db2.gz VBJIQEIHUKLRJU-PMERELPUSA-N 0 3 509.694 6.131 50 0 KKAAHN CCOC(=O)c1c2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2n(-c2ccccc2)c1CN(CC)CC ZINC000096581391 553756093 /nfs/dbraw/zinc/75/60/93/553756093.db2.gz KMFKUOCZOVKFBO-UHFFFAOYSA-N 0 3 520.651 5.725 50 0 KKAAHN COc1cc2nc(-c3ccccc3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1OC ZINC000096602155 553756929 /nfs/dbraw/zinc/75/69/29/553756929.db2.gz SWEJEBFOSIWINM-UHFFFAOYSA-N 0 3 516.645 6.226 50 0 KKAAHN Cc1ccc(C(=O)N2CCN(CCOc3ccc(CN(C)Cc4cc5ccccc5s4)cc3)CC2)s1 ZINC000023310756 553772520 /nfs/dbraw/zinc/77/25/20/553772520.db2.gz HBHYSMMTNGDPDE-UHFFFAOYSA-N 0 3 519.736 5.740 50 0 KKAAHN COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1OC ZINC000097945932 553775473 /nfs/dbraw/zinc/77/54/73/553775473.db2.gz QVSUISJLEMWXJA-LZYBPNLTSA-N 0 3 688.139 9.008 50 0 KKAAHN C[C@@H](CC(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)CC(C)(C)C ZINC000023429478 553775654 /nfs/dbraw/zinc/77/56/54/553775654.db2.gz UJEXKWLGBGQBFD-NRFANRHFSA-N 0 3 528.663 6.952 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000097954874 553825897 /nfs/dbraw/zinc/82/58/97/553825897.db2.gz YTBXJCRIBIBBEH-NJDAHSKKSA-N 0 3 535.291 5.658 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000097954869 553825997 /nfs/dbraw/zinc/82/59/97/553825997.db2.gz CWSHZTDTVXGPNQ-QHAWAJNXSA-N 0 3 536.184 5.946 50 0 KKAAHN COc1ccccc1OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccc(Cl)cc1)C3c1ccco1 ZINC000097956729 553841098 /nfs/dbraw/zinc/84/10/98/553841098.db2.gz KLHDQEIMKGMNER-DEOSSOPVSA-N 0 3 540.967 5.738 50 0 KKAAHN COc1cc(NC(=O)CCC(=O)C(Cc2nc(-c3ccc(C)cc3)no2)c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC ZINC000033356854 553945051 /nfs/dbraw/zinc/94/50/51/553945051.db2.gz AREDBCWCWXSVKY-XMMPIXPASA-N 0 3 611.655 5.744 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671767 553982523 /nfs/dbraw/zinc/98/25/23/553982523.db2.gz OMRZNGCHKCPVCX-SAIUNTKASA-N 0 3 522.664 6.756 50 0 KKAAHN CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671730 553982575 /nfs/dbraw/zinc/98/25/75/553982575.db2.gz NRPXGIXNMOUMOX-AJQTZOPKSA-N 0 3 505.662 6.012 50 0 KKAAHN CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671725 553982669 /nfs/dbraw/zinc/98/26/69/553982669.db2.gz NRPXGIXNMOUMOX-ZWXJPIIXSA-N 0 3 505.662 6.012 50 0 KKAAHN O=C(NCc1ccncc1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)N(Cc2ccccc2)CC3)o1 ZINC000034685555 553986991 /nfs/dbraw/zinc/98/69/91/553986991.db2.gz GMHHKUHCWCWXRL-XIFFEERXSA-N 0 3 529.640 6.331 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698102 553991106 /nfs/dbraw/zinc/99/11/06/553991106.db2.gz YBQYUFAOVUFATD-CUBQBAPOSA-N 0 3 523.599 5.392 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698101 553991244 /nfs/dbraw/zinc/99/12/44/553991244.db2.gz YBQYUFAOVUFATD-YWEHKCAJSA-N 0 3 523.599 5.392 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698815 553991582 /nfs/dbraw/zinc/99/15/82/553991582.db2.gz VZINKNLPTWCSJS-VIZCGCQYSA-N 0 3 519.104 7.478 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698847 553991631 /nfs/dbraw/zinc/99/16/31/553991631.db2.gz OQDQWEHJGKJEQU-IRPSRAIASA-N 0 3 520.639 7.103 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698814 553991700 /nfs/dbraw/zinc/99/17/00/553991700.db2.gz VZINKNLPTWCSJS-PDDLMNHVSA-N 0 3 519.104 7.478 50 0 KKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698882 553991845 /nfs/dbraw/zinc/99/18/45/553991845.db2.gz PBHKFLMPTSNKMG-POURPWNDSA-N 0 3 534.666 7.705 50 0 KKAAHN COc1ccc([C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699339 553992427 /nfs/dbraw/zinc/99/24/27/553992427.db2.gz NNXCOQQFPCDIQP-UFHPHHKVSA-N 0 3 514.563 6.117 50 0 KKAAHN Cc1cc([C@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716783 553995782 /nfs/dbraw/zinc/99/57/82/553995782.db2.gz QOWNPVISDLPHGN-WUFINQPMSA-N 0 3 503.637 5.223 50 0 KKAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034830156 554014931 /nfs/dbraw/zinc/01/49/31/554014931.db2.gz CTPFBMUCGTVGCK-WVXBCFDCSA-N 0 3 507.744 5.424 50 0 KKAAHN CCCc1nn(-c2cccc(Cl)c2)c(N2CCN(C)CC2)c1CN(Cc1sccc1C)C(C)C ZINC000034837038 554020399 /nfs/dbraw/zinc/02/03/99/554020399.db2.gz MTMPWWRKGLUPGM-UHFFFAOYSA-N 0 3 500.156 6.011 50 0 KKAAHN CCc1nn(-c2ccc(F)cc2)c(N2CCN(CC)CC2)c1CN(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000034836352 554020554 /nfs/dbraw/zinc/02/05/54/554020554.db2.gz LEZDUVGEFKUCOX-UHFFFAOYSA-N 0 3 503.710 6.004 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCCN1CCCCC1 ZINC000034889647 554023383 /nfs/dbraw/zinc/02/33/83/554023383.db2.gz WPEVDETZAWKBEV-MUUNZHRXSA-N 0 3 518.076 6.606 50 0 KKAAHN O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097997034 554039306 /nfs/dbraw/zinc/03/93/06/554039306.db2.gz FICDOSLWBCUQQL-NCRNUEESSA-N 0 3 726.962 5.980 50 0 KKAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCCN5CCCC[C@@H]5C)CC4)ccc3o2)cc1 ZINC000035454650 554055732 /nfs/dbraw/zinc/05/57/32/554055732.db2.gz MHDRXGOVDKXBQJ-GOTSBHOMSA-N 0 3 516.686 5.282 50 0 KKAAHN O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005124 554056809 /nfs/dbraw/zinc/05/68/09/554056809.db2.gz VVUUXOXRIDCWDM-UHFFFAOYSA-N 0 3 544.021 5.795 50 0 KKAAHN Cc1ccsc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098011275 554079262 /nfs/dbraw/zinc/07/92/62/554079262.db2.gz VFYQVXCJJOQPTA-PMERELPUSA-N 0 3 573.788 5.373 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000035843303 554082075 /nfs/dbraw/zinc/08/20/75/554082075.db2.gz WTVFNLGSSLDTBR-UUQNIDNHSA-N 0 3 514.556 5.682 50 0 KKAAHN CCn1cc([C@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872302 554086784 /nfs/dbraw/zinc/08/67/84/554086784.db2.gz JBVGZJKDSZZNLC-SSEXGKCCSA-N 0 3 525.693 5.981 50 0 KKAAHN COc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098012455 554090886 /nfs/dbraw/zinc/09/08/86/554090886.db2.gz UXQZAOUPAXKGFG-JGCGQSQUSA-N 0 3 583.758 5.012 50 0 KKAAHN COc1cccc(CN2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925677 554097933 /nfs/dbraw/zinc/09/79/33/554097933.db2.gz WYSLFWPXVFIDPU-UHFFFAOYSA-N 0 3 504.638 5.127 50 0 KKAAHN CN(C)CCNC(=O)c1cccc(Nc2c(Oc3ccc(Cl)cc3)cnn(-c3cccc(Cl)c3)c2=O)c1 ZINC000098015465 554099457 /nfs/dbraw/zinc/09/94/57/554099457.db2.gz UKRFVEWNBQWTSB-UHFFFAOYSA-N 0 3 538.435 5.367 50 0 KKAAHN CC(C)CN(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C1CCN(C)CC1)C(=O)c1ccccc1Cl ZINC000098020179 554117196 /nfs/dbraw/zinc/11/71/96/554117196.db2.gz OGSSEEQGFWDKRN-UHFFFAOYSA-N 0 3 565.133 6.560 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(CSc2nnc(Cc3ccccc3)n2-c2cccc(C(F)(F)F)c2)n1 ZINC000098021420 554118723 /nfs/dbraw/zinc/11/87/23/554118723.db2.gz GLPCPFIBFKZLDV-UHFFFAOYSA-N 0 3 648.780 7.020 50 0 KKAAHN CCOC(=O)c1c2cc(OC[C@@H](O)CN3CCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000098045747 554133567 /nfs/dbraw/zinc/13/35/67/554133567.db2.gz NOSDQNXHQJWNKU-IBGZPJMESA-N 0 3 561.542 5.635 50 0 KKAAHN CC(C)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)c(CN(C(=O)Nc2cccc(F)c2)C2CCCCC2)c1 ZINC000036015395 554135487 /nfs/dbraw/zinc/13/54/87/554135487.db2.gz RYJBTKNHWZQDOC-UHFFFAOYSA-N 0 3 537.724 6.317 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)CN1CCN(C[C@@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048146 554159865 /nfs/dbraw/zinc/15/98/65/554159865.db2.gz FDKBURXQUBAXRF-NCRNUEESSA-N 0 3 736.960 9.304 50 0 KKAAHN O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(CCc2ccccc2)CC1 ZINC000098048135 554159946 /nfs/dbraw/zinc/15/99/46/554159946.db2.gz ZSUJSMCCRSKRMU-QHCPKHFHSA-N 0 3 571.357 5.541 50 0 KKAAHN CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CCN2CCCC2)C(=O)NC(C)(C)C)cc1 ZINC000036122158 554193248 /nfs/dbraw/zinc/19/32/48/554193248.db2.gz FRVTZWBQKPAKLN-AREMUKBSSA-N 0 3 540.774 5.282 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@@H](O)COCC(C)C ZINC000036303976 554213702 /nfs/dbraw/zinc/21/37/02/554213702.db2.gz QIYCJSKFJZHTPJ-XMMPIXPASA-N 0 3 501.618 5.743 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036303979 554213833 /nfs/dbraw/zinc/21/38/33/554213833.db2.gz UMDSXBYOFNWKPS-QHCPKHFHSA-N 0 3 501.618 5.885 50 0 KKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036307687 554216366 /nfs/dbraw/zinc/21/63/66/554216366.db2.gz UPEMYMRXWHVOQX-VWLOTQADSA-N 0 3 503.618 5.979 50 0 KKAAHN CN(C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000036312675 554218599 /nfs/dbraw/zinc/21/85/99/554218599.db2.gz OUCALOGHDADXCE-UHFFFAOYSA-N 0 3 500.565 5.555 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037524384 554250332 /nfs/dbraw/zinc/25/03/32/554250332.db2.gz JOXAZIBYPQVCCB-SHQCIBLASA-N 0 3 510.600 6.127 50 0 KKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000100225798 554253313 /nfs/dbraw/zinc/25/33/13/554253313.db2.gz OUDOPQGDHPZRET-NAKRPHOHSA-N 0 3 548.716 5.457 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000040163549 554282764 /nfs/dbraw/zinc/28/27/64/554282764.db2.gz IIQSJHUEZBTSAT-URLMMPGGSA-N 0 3 608.735 6.859 50 0 biogenic,in-vitro KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 ZINC000040163547 554282784 /nfs/dbraw/zinc/28/27/84/554282784.db2.gz FUZMQNZACIFDBL-LOYHVIPDSA-N 0 3 652.788 7.171 50 0 biogenic,in-vitro KKAAHN CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(=O)[C@H]([C@H]4NCCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1 ZINC000100329622 554311905 /nfs/dbraw/zinc/31/19/05/554311905.db2.gz SFFJARIKISDPGV-WPFAILKGSA-N 0 3 534.660 5.738 50 0 KKAAHN O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000049763179 554325414 /nfs/dbraw/zinc/32/54/14/554325414.db2.gz QREJVTUHQUFUBX-JOCHJYFZSA-N 0 3 651.330 5.182 50 0 KKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000054979039 554349790 /nfs/dbraw/zinc/34/97/90/554349790.db2.gz OPHHSIIPSNVWSV-UHFFFAOYSA-N 0 3 506.433 6.828 50 0 KKAAHN CCOc1cccc2sc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc21 ZINC000060209963 554503796 /nfs/dbraw/zinc/50/37/96/554503796.db2.gz FDJOYSJUGSQHHS-UHFFFAOYSA-N 0 3 580.776 5.504 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000060210346 554504409 /nfs/dbraw/zinc/50/44/09/554504409.db2.gz SOKPJVUECCNTCR-UHFFFAOYSA-N 0 3 588.796 5.255 50 0 KKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Cl)ccc32)CC1 ZINC000067997825 554538200 /nfs/dbraw/zinc/53/82/00/554538200.db2.gz VXASWNCNDAMJFB-IZZNHLLZSA-N 0 3 636.023 6.902 50 0 KKAAHN Cc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000101053259 554568887 /nfs/dbraw/zinc/56/88/87/554568887.db2.gz VYNFTTFEKKDFCQ-UHFFFAOYSA-N 0 3 534.035 5.283 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101076327 554577759 /nfs/dbraw/zinc/57/77/59/554577759.db2.gz YRTFIEWOVFCHFC-VJGNERBWSA-N 0 3 569.411 5.719 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101076338 554577863 /nfs/dbraw/zinc/57/78/63/554577863.db2.gz JLVPVMTYDNZYLF-ZONZVBGPSA-N 0 3 605.466 5.268 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101076340 554577890 /nfs/dbraw/zinc/57/78/90/554577890.db2.gz JLVPVMTYDNZYLF-KWXIBIRDSA-N 0 3 605.466 5.268 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Br)cc4)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101084564 554580264 /nfs/dbraw/zinc/58/02/64/554580264.db2.gz DLRWMULHGRLADS-DSNGMDLFSA-N 0 3 594.259 6.523 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000101119577 554643625 /nfs/dbraw/zinc/64/36/25/554643625.db2.gz LRMJHMLBWTVHRI-CYXNTTPDSA-N 0 3 541.431 6.232 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101154327 554658270 /nfs/dbraw/zinc/65/82/70/554658270.db2.gz HSHCZSPOSYRBCV-FCEKVYKBSA-N 0 3 516.594 5.324 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101157377 554659094 /nfs/dbraw/zinc/65/90/94/554659094.db2.gz KPHCPOAPZBEPFP-OCBJUFRSSA-N 0 3 538.575 5.855 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3nc3c2CCCC3)cc1OC ZINC000101193393 554671368 /nfs/dbraw/zinc/67/13/68/554671368.db2.gz BQGBEIIGSVYCJO-UHFFFAOYSA-N 0 3 543.620 6.153 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C([O-])c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000101201529 554672740 /nfs/dbraw/zinc/67/27/40/554672740.db2.gz FXNTZKVFCSKVPN-JVPIYLDOSA-N 0 3 508.593 5.804 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(C(=O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000101201529 554672741 /nfs/dbraw/zinc/67/27/41/554672741.db2.gz FXNTZKVFCSKVPN-JVPIYLDOSA-N 0 3 508.593 5.804 50 0 KKAAHN Cc1ccc(N2CCN(C[C@H](O)Cn3c(-c4ccccc4)c(-c4ccccc4)c4ccc5ccccc5c43)CC2)cc1 ZINC000101221767 554687368 /nfs/dbraw/zinc/68/73/68/554687368.db2.gz MHSPNGWSJMTDKW-XIFFEERXSA-N 0 3 551.734 7.620 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254643 554695168 /nfs/dbraw/zinc/69/51/68/554695168.db2.gz JDJGHAPPLLLPNE-VWLOTQADSA-N 0 3 573.159 5.200 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCN2CCC(C)CC2)cc1 ZINC000101254658 554695200 /nfs/dbraw/zinc/69/52/00/554695200.db2.gz CJWLMUFTQKPYQP-AREMUKBSSA-N 0 3 554.782 5.260 50 0 KKAAHN COc1cc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260301 554697251 /nfs/dbraw/zinc/69/72/51/554697251.db2.gz RMZDPVZMBJRRKO-BJKOFHAPSA-N 0 3 544.589 6.092 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386114 554750986 /nfs/dbraw/zinc/75/09/86/554750986.db2.gz BHRDUEIPRGSBCH-ZQAZVOLISA-N 0 3 595.788 6.397 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000101386134 554751217 /nfs/dbraw/zinc/75/12/17/554751217.db2.gz KURRTRAUUXOBQV-CPBHLAHYSA-N 0 3 597.804 5.537 50 0 KKAAHN Cc1oc(-c2ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000101448543 554774966 /nfs/dbraw/zinc/77/49/66/554774966.db2.gz GPMGTBKNGMYQGX-UHFFFAOYSA-N 0 3 538.692 5.475 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000101454580 554776505 /nfs/dbraw/zinc/77/65/05/554776505.db2.gz LPYAKSMZYGXNQY-KDXMTYKHSA-N 0 3 549.712 5.785 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101456083 554777201 /nfs/dbraw/zinc/77/72/01/554777201.db2.gz JPDZLZRGTFPPTC-UHFFFAOYSA-N 0 3 561.748 5.620 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN(C)Cc4ccccc4)cc3)C2=O)c1 ZINC000101506680 554790653 /nfs/dbraw/zinc/79/06/53/554790653.db2.gz ZQCIKFANWMVSAX-GZZLJNBRSA-N 0 3 545.683 6.214 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101618515 554806632 /nfs/dbraw/zinc/80/66/32/554806632.db2.gz ZMIGMFWBUIHALR-IOWSJCHKSA-N 0 3 556.776 5.296 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101637245 554813361 /nfs/dbraw/zinc/81/33/61/554813361.db2.gz MMMDPRJEHMOAAD-CKWSZQMZSA-N 0 3 620.794 6.443 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101843153 554842979 /nfs/dbraw/zinc/84/29/79/554842979.db2.gz DFSIEZWLZUDNIX-XZWHSSHBSA-N 0 3 544.765 5.009 50 0 KKAAHN Cc1ccnc(S[C@H]2C[C@@H](C(=O)N3CCN(C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc(C(C)C)cc3)C2)n1 ZINC000102004642 554866719 /nfs/dbraw/zinc/86/67/19/554866719.db2.gz LNPMLLZPENJYGV-AHYUZBCLSA-N 0 3 573.851 5.613 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000102010296 554866925 /nfs/dbraw/zinc/86/69/25/554866925.db2.gz QHAOIYSCROLCPH-MFMCTBQISA-N 0 3 594.722 5.823 50 0 KKAAHN Cc1ccc(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)cc1 ZINC000102102924 554882030 /nfs/dbraw/zinc/88/20/30/554882030.db2.gz XJANMOAHSDGQBJ-UHFFFAOYSA-N 0 3 536.547 7.513 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000102357564 554915764 /nfs/dbraw/zinc/91/57/64/554915764.db2.gz PYQVQURRIODVGI-MFMCTBQISA-N 0 3 594.722 5.823 50 0 KKAAHN COc1ccccc1CCNC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102459738 554935113 /nfs/dbraw/zinc/93/51/13/554935113.db2.gz PXDHGVCFIXPMTN-QCENPCRXSA-N 0 3 593.187 5.640 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102557663 554965572 /nfs/dbraw/zinc/96/55/72/554965572.db2.gz QRFDFRRFGPLMDF-QAXCHELISA-N 0 3 570.601 6.119 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102559520 554966880 /nfs/dbraw/zinc/96/68/80/554966880.db2.gz SNCHPGRCAVKONL-NHKHRBQYSA-N 0 3 619.899 6.741 50 0 KKAAHN Cc1ccc(-c2cc3c(c(OC[C@H]4CCCN(C)C4)c2)OCCN(C(=O)c2ccc(N4CCOCC4)cc2)C3)s1 ZINC000102582646 554972693 /nfs/dbraw/zinc/97/26/93/554972693.db2.gz JEQOHRDYGFOKHD-DEOSSOPVSA-N 0 3 561.748 5.316 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102588217 554973556 /nfs/dbraw/zinc/97/35/56/554973556.db2.gz DNBQODSTDCIEPN-ABYGYWHVSA-N 0 3 542.617 6.867 50 0 KKAAHN CCOc1ccc(C(=O)[C@H](CCCC[C@H](CN(CC)CC)C(=O)c2ccc(OCC)cc2)CN(CC)CC)cc1 ZINC000102611756 554981782 /nfs/dbraw/zinc/98/17/82/554981782.db2.gz XUCDVCKVFDNGRJ-LOYHVIPDSA-N 0 3 552.800 7.026 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000102699547 555012699 /nfs/dbraw/zinc/01/26/99/555012699.db2.gz QJXDTMLOXINXMS-PCCBWWKXSA-N 0 3 501.739 5.293 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000102705688 555014519 /nfs/dbraw/zinc/01/45/19/555014519.db2.gz DKCIAIOYRPTCCY-MFMCTBQISA-N 0 3 526.725 5.435 50 0 KKAAHN Cc1ccc(C)c(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000102710280 555016470 /nfs/dbraw/zinc/01/64/70/555016470.db2.gz MQJVZXXNGGZXBQ-GIGWZHCTSA-N 0 3 543.712 5.403 50 0 KKAAHN CCN(CC)CCn1c2nc(SCC(=O)Nc3ccc(N(C)C)cc3)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000102724239 555021112 /nfs/dbraw/zinc/02/11/12/555021112.db2.gz YJMFFIYMSMXNCC-UHFFFAOYSA-N 0 3 598.820 5.125 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCCC)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000102743866 555035017 /nfs/dbraw/zinc/03/50/17/555035017.db2.gz BUFVHZOLWAUEGK-YTCPBCGMSA-N 0 3 530.621 5.714 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)cc1 ZINC000102744323 555035464 /nfs/dbraw/zinc/03/54/64/555035464.db2.gz OOSVWNFTSWRROP-UODIDJSMSA-N 0 3 519.384 6.613 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102746571 555039138 /nfs/dbraw/zinc/03/91/38/555039138.db2.gz NVILDXNSTJZWOP-OYUWMTPXSA-N 0 3 508.505 5.096 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102747406 555040966 /nfs/dbraw/zinc/04/09/66/555040966.db2.gz FOKPNSNZLXFBGO-YPAWHYETSA-N 0 3 519.768 5.412 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102749599 555043698 /nfs/dbraw/zinc/04/36/98/555043698.db2.gz DYRVIGRDKPJWKJ-JCYYIGJDSA-N 0 3 545.422 6.624 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102749405 555043752 /nfs/dbraw/zinc/04/37/52/555043752.db2.gz PHZGVBIVILFIRP-ZGIBFIJWSA-N 0 3 518.569 5.519 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102750989 555044280 /nfs/dbraw/zinc/04/42/80/555044280.db2.gz BFHZBYQUUPPMNC-IDZRBWSNSA-N 0 3 538.575 5.855 50 0 KKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000102751522 555044510 /nfs/dbraw/zinc/04/45/10/555044510.db2.gz YBRGIXYXKSSPOO-JCYYIGJDSA-N 0 3 504.542 5.265 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102751601 555044528 /nfs/dbraw/zinc/04/45/28/555044528.db2.gz VMRLDZUTROYXCR-JCYYIGJDSA-N 0 3 516.594 5.324 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000102757296 555050011 /nfs/dbraw/zinc/05/00/11/555050011.db2.gz OCRCVPBFALTMSO-SSBOKUKZSA-N 0 3 534.568 5.356 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)cc1 ZINC000102757868 555050316 /nfs/dbraw/zinc/05/03/16/555050316.db2.gz POVRGIYDCPLPPR-JIMJEQGWSA-N 0 3 519.384 6.613 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCCC)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000102759343 555051207 /nfs/dbraw/zinc/05/12/07/555051207.db2.gz OYEMGILYTNZQOA-YTCPBCGMSA-N 0 3 530.621 5.714 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102761583 555052638 /nfs/dbraw/zinc/05/26/38/555052638.db2.gz PYKBDSGRJSXQIY-YPAWHYETSA-N 0 3 513.775 5.162 50 0 KKAAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000102762106 555053152 /nfs/dbraw/zinc/05/31/52/555053152.db2.gz ABSHEGAFHJLYPM-TZRRMPRUSA-N 0 3 507.384 5.071 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102765161 555054759 /nfs/dbraw/zinc/05/47/59/555054759.db2.gz APJKPZYGRPGHCC-YPAWHYETSA-N 0 3 513.775 5.162 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Br)c4)[C@@H]3C2=O)cc1 ZINC000102766875 555055560 /nfs/dbraw/zinc/05/55/60/555055560.db2.gz YLDPQEKCJYKKRK-KMDXXIMOSA-N 0 3 507.384 5.289 50 0 KKAAHN CC[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000102787161 555068039 /nfs/dbraw/zinc/06/80/39/555068039.db2.gz FBJSPDULSNATLP-QHCPKHFHSA-N 0 3 552.115 6.785 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(OC)cc4OC)[C@H]3C1=O)CCCC2 ZINC000102861393 555091657 /nfs/dbraw/zinc/09/16/57/555091657.db2.gz RFRBKAHNUSAJDB-UBFVSLLYSA-N 0 3 583.062 5.135 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)cc1OC ZINC000102869273 555098654 /nfs/dbraw/zinc/09/86/54/555098654.db2.gz VSSSKKMRBGOJKO-NXCFDTQHSA-N 0 3 575.876 6.885 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102888986 555122713 /nfs/dbraw/zinc/12/27/13/555122713.db2.gz AAAJFWWGPFFRCY-NLDZOOGBSA-N 0 3 603.444 6.227 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102894433 555132399 /nfs/dbraw/zinc/13/23/99/555132399.db2.gz MERBINIMWJKIGN-IARZGTGTSA-N 0 3 572.976 5.758 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102895457 555134274 /nfs/dbraw/zinc/13/42/74/555134274.db2.gz XQCRCPJDQNIMTH-KWXIBIRDSA-N 0 3 561.015 5.159 50 0 KKAAHN COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CCN1CCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000102961467 555177190 /nfs/dbraw/zinc/17/71/90/555177190.db2.gz ZVMXCDIHJSEULA-VWLOTQADSA-N 0 3 583.154 5.545 50 0 KKAAHN O=C1C2ON(c3cccc(Br)c3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000103025164 555215528 /nfs/dbraw/zinc/21/55/28/555215528.db2.gz DWQJRWLAKZVBOH-QHAWAJNXSA-N 0 3 551.746 6.172 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3)(C(=O)NCCN3CCCC3)C[C@@H](OCc3cccc(C(F)(F)F)c3)[C@@H]2O1 ZINC000103124830 555292786 /nfs/dbraw/zinc/29/27/86/555292786.db2.gz YKGIQDXUZSLCJD-KMFVSHEXSA-N 0 3 594.646 5.211 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000103259805 555346296 /nfs/dbraw/zinc/34/62/96/555346296.db2.gz XTRNVABMZXBDQI-RJGXRXQPSA-N 0 3 557.455 5.771 50 0 KKAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000103355305 555363883 /nfs/dbraw/zinc/36/38/83/555363883.db2.gz RFNCQQRMQIRZNF-ZTXZFYJXSA-N 0 3 545.793 5.670 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCCN3CCCC3)C[C@@H](OCc3c(F)cccc3F)[C@@H]2O1 ZINC000103365490 555365875 /nfs/dbraw/zinc/36/58/75/555365875.db2.gz JIRLNUDAXPQGRY-KMFVSHEXSA-N 0 3 612.636 5.350 50 0 KKAAHN COc1cccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)c(C)c2)c1 ZINC000103409901 555395941 /nfs/dbraw/zinc/39/59/41/555395941.db2.gz LEABWNKPGVRXIP-UHFFFAOYSA-N 0 3 560.098 5.461 50 0 KKAAHN Cc1ccc(Cn2cc([C@H](CC(=O)NCCN3CCCC3)c3cccc(Oc4ccc(Cl)cc4)c3)c3ccccc32)cc1 ZINC000103427972 555410043 /nfs/dbraw/zinc/41/00/43/555410043.db2.gz YWUNTFDLIOHSAP-UUWRZZSWSA-N 0 3 592.183 8.178 50 0 KKAAHN O=C(c1ccccc1Cl)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103527354 555429045 /nfs/dbraw/zinc/42/90/45/555429045.db2.gz TZKKNIYAEZJSNX-MFUXGYHDSA-N 0 3 537.040 6.258 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000103529330 555429978 /nfs/dbraw/zinc/42/99/78/555429978.db2.gz GGJSBAVHTXLFCL-OVDFTCDZSA-N 0 3 537.040 6.258 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000252257117 562881706 /nfs/dbraw/zinc/88/17/06/562881706.db2.gz MYKURCFTIZBVPS-WORDSIFZSA-N 0 3 574.718 6.089 50 0 KKAAHN Cc1cccc(CN(C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2CCCO2)c1 ZINC000105044265 571390336 /nfs/dbraw/zinc/39/03/36/571390336.db2.gz PCYPAXKKKZBVFE-LBNVMWSVSA-N 0 3 562.579 6.037 50 0 KKAAHN COc1cc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)cc(OC)c1 ZINC000105042238 571390363 /nfs/dbraw/zinc/39/03/63/571390363.db2.gz PNIKLBBJXAAJED-OUTSHDOLSA-N 0 3 558.616 6.628 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000105796215 571408700 /nfs/dbraw/zinc/40/87/00/571408700.db2.gz QRFDFRRFGPLMDF-XWHIBYANSA-N 0 3 570.601 6.119 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000105795208 571408735 /nfs/dbraw/zinc/40/87/35/571408735.db2.gz QBPQPBWTXZKNEU-JCYYIGJDSA-N 0 3 617.427 5.867 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(C(F)(F)F)cc4)[C@H]3C2=O)cc1 ZINC000105906385 571409304 /nfs/dbraw/zinc/40/93/04/571409304.db2.gz LDFOLHSLSBNNIK-DNVJHFABSA-N 0 3 516.903 5.809 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000106534673 571412711 /nfs/dbraw/zinc/41/27/11/571412711.db2.gz JLVPVMTYDNZYLF-OYUWMTPXSA-N 0 3 605.466 5.268 50 0 KKAAHN Cc1cc(C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)n(C)n1 ZINC000106805905 571418402 /nfs/dbraw/zinc/41/84/02/571418402.db2.gz PCLIYQSQRUVLBO-TWJOJJKGSA-N 0 3 577.424 5.306 50 0 KKAAHN O=S(=O)([N-]Cc1cccc2ccccc21)c1cc(Cl)c(Oc2cccc(N3CC[NH2+]CC3)c2)s1 ZINC000118706019 571443442 /nfs/dbraw/zinc/44/34/42/571443442.db2.gz YAAVQYDOVJQDFZ-UHFFFAOYSA-N 0 3 514.072 5.235 50 0 in-vitro KKAAHN CCCOc1ccc(CN2CCC(C(O)(c3cccc(C(F)(F)F)c3)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000135737647 571448928 /nfs/dbraw/zinc/44/89/28/571448928.db2.gz IBWJTUMCBHSJCC-UHFFFAOYSA-N 0 3 551.571 7.661 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000136068090 571449145 /nfs/dbraw/zinc/44/91/45/571449145.db2.gz FWUSQWTUKCTQJP-PCCBWWKXSA-N 0 3 517.301 5.519 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000136430881 571449378 /nfs/dbraw/zinc/44/93/78/571449378.db2.gz HEMZGEPJUBCQCC-PCCBWWKXSA-N 0 3 501.739 5.293 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137663557 571450414 /nfs/dbraw/zinc/45/04/14/571450414.db2.gz RAYJLBGXBQZTPU-UPRLRBBYSA-N 0 3 514.578 5.128 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000137663557 571450416 /nfs/dbraw/zinc/45/04/16/571450416.db2.gz RAYJLBGXBQZTPU-UPRLRBBYSA-N 0 3 514.578 5.128 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)F)cc3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000137809545 571450602 /nfs/dbraw/zinc/45/06/02/571450602.db2.gz RVRWYUMQGDPBPJ-PCCBWWKXSA-N 0 3 504.411 5.358 50 0 KKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[C@@H]2C1=O ZINC000137824857 571450646 /nfs/dbraw/zinc/45/06/46/571450646.db2.gz SBRNQJTWTNZDQK-UNCTUWKVSA-N 0 3 512.650 6.347 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000137850199 571450658 /nfs/dbraw/zinc/45/06/58/571450658.db2.gz PFQCQWMNQSYIRF-JIMJEQGWSA-N 0 3 506.986 5.579 50 0 KKAAHN COc1ccc(C(NCCOC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 ZINC000150353347 571462716 /nfs/dbraw/zinc/46/27/16/571462716.db2.gz VTFLXOVDKJUHER-UHFFFAOYSA-N 0 3 676.839 8.156 50 0 KKAAHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000150387837 571470391 /nfs/dbraw/zinc/47/03/91/571470391.db2.gz OMBRXXQHSLGWSW-UHFFFAOYSA-N 0 3 643.209 5.271 50 0 KKAAHN COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150388975 571471352 /nfs/dbraw/zinc/47/13/52/571471352.db2.gz UHNCDPYLBITMAG-UHFFFAOYSA-N 0 3 646.102 8.908 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150389048 571471451 /nfs/dbraw/zinc/47/14/51/571471451.db2.gz AHXOLTFPSIDFNW-UHFFFAOYSA-N 0 3 678.575 10.197 50 0 KKAAHN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150389236 571471702 /nfs/dbraw/zinc/47/17/02/571471702.db2.gz SZONHDIIOVHADQ-LDADJPATSA-N 0 3 663.777 10.077 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccccc1I ZINC000150443000 571499305 /nfs/dbraw/zinc/49/93/05/571499305.db2.gz FDJLEYGRIBCKQC-DSNGMDLFSA-N 0 3 631.253 6.909 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150457379 571504729 /nfs/dbraw/zinc/50/47/29/571504729.db2.gz QBRYVBBYJJPODK-NLDZOOGBSA-N 0 3 664.350 6.850 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000150596603 571522351 /nfs/dbraw/zinc/52/23/51/571522351.db2.gz XBNVUWBMHHIFIC-UYHPJTEGSA-N 0 3 690.807 7.774 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150602755 571522736 /nfs/dbraw/zinc/52/27/36/571522736.db2.gz VGBLLXYHSNXODN-OCZFFWILSA-N 0 3 665.854 6.714 50 0 KKAAHN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@@H](O)COCc1ccccc1 ZINC000169677703 571555169 /nfs/dbraw/zinc/55/51/69/571555169.db2.gz DIFHZIUDXDUUFQ-RPLLCQBOSA-N 0 3 507.675 5.137 50 0 KKAAHN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000169677739 571555349 /nfs/dbraw/zinc/55/53/49/571555349.db2.gz XCNDMYKLQOKWQU-RSXGOPAZSA-N 0 3 513.629 5.031 50 0 KKAAHN C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169677732 571555414 /nfs/dbraw/zinc/55/54/14/571555414.db2.gz LJGZUDQKQVFSON-OEQAEZTDSA-N 0 3 507.600 5.488 50 0 KKAAHN COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@@H]23)cc1 ZINC000169678769 571555934 /nfs/dbraw/zinc/55/59/34/571555934.db2.gz SNBZYKGSARCDRH-BDYUSTAISA-N 0 3 509.572 5.258 50 0 KKAAHN Cc1ccc([C@@H]2c3ccsc3CCN2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680888 571557246 /nfs/dbraw/zinc/55/72/46/571557246.db2.gz QXXSAVXKVKGEHG-QXNWPYRLSA-N 0 3 579.832 5.613 50 0 KKAAHN Cc1cccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2nc3ccccc3c(-c3ccc(Cl)cc3)n2)c1 ZINC000170614218 571561925 /nfs/dbraw/zinc/56/19/25/571561925.db2.gz YFAWIZAGOUMOFN-PMERELPUSA-N 0 3 518.064 7.680 50 0 KKAAHN Clc1cccc(Cl)c1Cn1cc(CNCCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491666 572110342 /nfs/dbraw/zinc/11/03/42/572110342.db2.gz BSYJYDCCTUVEKO-UHFFFAOYSA-N 0 3 509.466 5.854 50 0 KKAAHN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 ZINC000263586230 572122450 /nfs/dbraw/zinc/12/24/50/572122450.db2.gz ROCADMIWBQUQNA-ACWDODGESA-N 0 3 648.845 5.070 50 0 KKAAHN c1ccc(ON2P(Oc3ccccc3)N=P(Oc3ccccc3)(Oc3ccccc3)N(Oc3ccccc3)P2Oc2ccccc2)cc1 ZINC000263621390 572132007 /nfs/dbraw/zinc/13/20/07/572132007.db2.gz WIMMPRLEJHSVCV-UHFFFAOYSA-N 0 3 693.573 11.308 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000226820527 572141919 /nfs/dbraw/zinc/14/19/19/572141919.db2.gz CFJLSOMVIOXMQA-UPRLRBBYSA-N 0 3 538.531 5.105 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226815696 572141939 /nfs/dbraw/zinc/14/19/39/572141939.db2.gz SXWCNTMBKSVPGS-OYUWMTPXSA-N 0 3 504.558 5.454 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000226816220 572141991 /nfs/dbraw/zinc/14/19/91/572141991.db2.gz BOVVKZHOTIIIKU-YTCPBCGMSA-N 0 3 534.568 5.356 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccccn3)[C@@]3(c4ccccc4NC3=O)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000226856933 572144158 /nfs/dbraw/zinc/14/41/58/572144158.db2.gz WOOBXIQFTGUXPE-CTMYTVLESA-N 0 3 541.607 5.336 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913444 572145146 /nfs/dbraw/zinc/14/51/46/572145146.db2.gz GKAZYFQOEUZNOQ-DCMQHHMNSA-N 0 3 528.608 6.143 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227022285 572147224 /nfs/dbraw/zinc/14/72/24/572147224.db2.gz RFPUSBURMCLQQW-UIUKDCGCSA-N 0 3 590.701 6.320 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227025782 572147580 /nfs/dbraw/zinc/14/75/80/572147580.db2.gz SNCHPGRCAVKONL-ZGIBFIJWSA-N 0 3 619.899 6.741 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227023648 572147657 /nfs/dbraw/zinc/14/76/57/572147657.db2.gz WAFWNJKJZKCBQE-ZGIBFIJWSA-N 0 3 654.344 7.395 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccccc1I ZINC000227075372 572148942 /nfs/dbraw/zinc/14/89/42/572148942.db2.gz YIFRWDZXGTYRFT-CCDWMCETSA-N 0 3 631.253 6.909 50 0 KKAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000227070634 572149137 /nfs/dbraw/zinc/14/91/37/572149137.db2.gz LTTLZXONYUPTKE-ALBQUZEBSA-N 0 3 571.485 6.911 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000227086493 572150340 /nfs/dbraw/zinc/15/03/40/572150340.db2.gz VAQHQBSKIMNHHU-RWSKJCERSA-N 0 3 576.630 5.659 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000227246206 572152801 /nfs/dbraw/zinc/15/28/01/572152801.db2.gz ULDGKVJMNWIMNF-RWSKJCERSA-N 0 3 576.630 5.659 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000227252590 572153571 /nfs/dbraw/zinc/15/35/71/572153571.db2.gz GWKJFVPKSTWKQX-OIFRRMEBSA-N 0 3 582.584 5.503 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000229934959 572171140 /nfs/dbraw/zinc/17/11/40/572171140.db2.gz DHGOHVNIBQWKDW-TYKYNWMQSA-N 0 3 562.663 5.876 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000229933150 572171186 /nfs/dbraw/zinc/17/11/86/572171186.db2.gz BDJWIZPTFYWCMS-JIMJEQGWSA-N 0 3 551.437 5.688 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000229940860 572172607 /nfs/dbraw/zinc/17/26/07/572172607.db2.gz HPNZLCQQRNYUOT-ZGIBFIJWSA-N 0 3 555.417 7.458 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@H](c4ccc(C)cc4)[C@@H]3C1=O)CCCC2 ZINC000229969219 572175235 /nfs/dbraw/zinc/17/52/35/572175235.db2.gz NVSQTSPYGFBEPW-JIMJEQGWSA-N 0 3 530.646 5.472 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229968764 572175272 /nfs/dbraw/zinc/17/52/72/572175272.db2.gz JTYPFJWUCDYBCH-BHDDXSALSA-N 0 3 579.889 6.553 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229968780 572175294 /nfs/dbraw/zinc/17/52/94/572175294.db2.gz WIVDQADKGXYRHZ-PWRODBHTSA-N 0 3 565.862 6.163 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(C)cc3)[C@@H]2C1=O ZINC000229968452 572175397 /nfs/dbraw/zinc/17/53/97/572175397.db2.gz ZIJMFWKGPORGGN-BHDDXSALSA-N 0 3 510.999 5.164 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@@H]3C2=O)c1 ZINC000230015403 572179012 /nfs/dbraw/zinc/17/90/12/572179012.db2.gz VCKRTHALUFDKKU-JIMJEQGWSA-N 0 3 519.384 6.613 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000230017630 572179259 /nfs/dbraw/zinc/17/92/59/572179259.db2.gz WQAQLDOMJVZVAW-BQUCCUTGSA-N 0 3 516.622 5.913 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000230029785 572180076 /nfs/dbraw/zinc/18/00/76/572180076.db2.gz GYFODTYWKZNASI-NRVHTZAHSA-N 0 3 544.673 5.737 50 0 KKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000230066030 572182399 /nfs/dbraw/zinc/18/23/99/572182399.db2.gz OUDOPQGDHPZRET-LBNVMWSVSA-N 0 3 548.716 5.457 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(=C([O-])c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000230090058 572183448 /nfs/dbraw/zinc/18/34/48/572183448.db2.gz NGGKXOFXRQGIRE-KCIBBDPESA-N 0 3 546.648 6.003 50 0 KKAAHN COc1cccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000230090058 572183451 /nfs/dbraw/zinc/18/34/51/572183451.db2.gz NGGKXOFXRQGIRE-KCIBBDPESA-N 0 3 546.648 6.003 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000230188917 572184924 /nfs/dbraw/zinc/18/49/24/572184924.db2.gz BCEGFARFUFCHIC-YUAOJYLXSA-N 0 3 528.583 5.990 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000245242006 572216648 /nfs/dbraw/zinc/21/66/48/572216648.db2.gz WIVDQADKGXYRHZ-NJDAHSKKSA-N 0 3 565.862 6.163 50 0 KKAAHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)cc4)[C@H]3C2=O)c1 ZINC000245246461 572219255 /nfs/dbraw/zinc/21/92/55/572219255.db2.gz MEKBXZLHXRDSEC-SSBOKUKZSA-N 0 3 506.558 5.325 50 0 KKAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245246810 572219818 /nfs/dbraw/zinc/21/98/18/572219818.db2.gz OQXIXKSPTORELV-OVDFTCDZSA-N 0 3 571.485 6.911 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)cc4)[C@H]3C2=O)c(C)c1 ZINC000245247556 572220743 /nfs/dbraw/zinc/22/07/43/572220743.db2.gz VTVNOTGYZLGYBT-DYIKCSJPSA-N 0 3 504.586 5.934 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)cc1 ZINC000245247783 572221211 /nfs/dbraw/zinc/22/12/11/572221211.db2.gz XFELALQDBMLPHO-IDZRBWSNSA-N 0 3 584.650 5.294 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245247840 572221321 /nfs/dbraw/zinc/22/13/21/572221321.db2.gz YEVTYJNCKNYRIU-MKYOLNSUSA-N 0 3 597.092 6.275 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000245311085 572228750 /nfs/dbraw/zinc/22/87/50/572228750.db2.gz MENVRHRUVZKQLR-UBFVSLLYSA-N 0 3 537.410 5.298 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Br)cc5)o4)[C@H]3C2=O)cc1 ZINC000245312528 572229837 /nfs/dbraw/zinc/22/98/37/572229837.db2.gz VPGWVCQZJPOUKZ-TWJOJJKGSA-N 0 3 529.390 6.069 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@H]3C2=O)cc1 ZINC000245324866 572231020 /nfs/dbraw/zinc/23/10/20/572231020.db2.gz BDJWIZPTFYWCMS-TWJOJJKGSA-N 0 3 551.437 5.688 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000245325676 572231978 /nfs/dbraw/zinc/23/19/78/572231978.db2.gz BZAJHVYCKFSBJP-BDYUSTAISA-N 0 3 538.610 6.448 50 0 KKAAHN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343049 572237377 /nfs/dbraw/zinc/23/73/77/572237377.db2.gz CXPDIMBNZQKTGR-XHCCPWGMSA-N 0 3 542.532 5.766 50 0 KKAAHN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000245343342 572238620 /nfs/dbraw/zinc/23/86/20/572238620.db2.gz MGLFGDLKKIEGCG-WBBHLRKXSA-N 0 3 529.750 5.801 50 0 KKAAHN O=C(c1cccs1)C1[C@@H](C(=O)c2ccc(Br)cc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000247857267 572246578 /nfs/dbraw/zinc/24/65/78/572246578.db2.gz KYYFKOQRQJVVSI-ALBQUZEBSA-N 0 3 581.491 6.367 50 0 KKAAHN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247874540 572247602 /nfs/dbraw/zinc/24/76/02/572247602.db2.gz SKAMYPCUDVRBKN-PMERELPUSA-N 0 3 648.649 6.934 50 0 KKAAHN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247893600 572248699 /nfs/dbraw/zinc/24/86/99/572248699.db2.gz ZCMYVMHDUVYSCO-JGCGQSQUSA-N 0 3 618.225 6.884 50 0 KKAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCCN5CCCC[C@H]5C)CC4)ccc3o2)cc1 ZINC000248089781 572253391 /nfs/dbraw/zinc/25/33/91/572253391.db2.gz MHDRXGOVDKXBQJ-DHIUTWEWSA-N 0 3 516.686 5.282 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248100863 572253543 /nfs/dbraw/zinc/25/35/43/572253543.db2.gz PBHKFLMPTSNKMG-FIBWVYCGSA-N 0 3 534.666 7.705 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248209122 572256612 /nfs/dbraw/zinc/25/66/12/572256612.db2.gz CKYFFCMWEQOLFE-SQHAQQRYSA-N 0 3 530.581 6.998 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccsc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248210356 572256668 /nfs/dbraw/zinc/25/66/68/572256668.db2.gz CWSPZNYWOHJHMV-BVAGGSTKSA-N 0 3 518.620 6.920 50 0 KKAAHN COc1cccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248227087 572256747 /nfs/dbraw/zinc/25/67/47/572256747.db2.gz JOXAZIBYPQVCCB-IGKIAQTJSA-N 0 3 510.600 6.127 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248245130 572256990 /nfs/dbraw/zinc/25/69/90/572256990.db2.gz QDWKNZACXBCBPP-LSYYVWMOSA-N 0 3 562.598 7.738 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248342232 572258582 /nfs/dbraw/zinc/25/85/82/572258582.db2.gz XURFVSLLBIIBID-YGGCMVMVSA-N 0 3 546.648 6.003 50 0 KKAAHN CC[C@@H]1CCCCN1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252587103 572265906 /nfs/dbraw/zinc/26/59/06/572265906.db2.gz VPZSVEGKGKSXKT-VWNYFCMGSA-N 0 3 604.836 5.105 50 0 KKAAHN CCCCOc1ccc([C@@](O)(Cc2ccccc2)[C@@H](CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 ZINC000524734105 1069837011 /nfs/dbraw/zinc/83/70/11/1069837011.db2.gz XKLRAYLCHHZTLR-LFGICVIVSA-N 0 3 592.780 6.626 50 0 KKAAHN CN(Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cnsn2)c1)Cc1cccc2cccnc21 ZINC000014960968 1072893678 /nfs/dbraw/zinc/89/36/78/1072893678.db2.gz WUZCDWPOSKNROZ-XMMPIXPASA-N 0 3 501.656 5.182 50 0 KKAAHN COc1ccc(N(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001783732 551698764 /nfs/dbraw/zinc/69/87/64/551698764.db2.gz YSLRPKZZQWXJGE-LJAQVGFWSA-N 0 3 530.690 5.262 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001897548 551728911 /nfs/dbraw/zinc/72/89/11/551728911.db2.gz ULZKVTIAJPOSSB-OCBJUFRSSA-N 0 3 599.481 6.478 50 0 KKAAHN COc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1ccccc1F ZINC000002119065 551769829 /nfs/dbraw/zinc/76/98/29/551769829.db2.gz XTIKATGLUNBFJD-WJOKGBTCSA-N 0 3 508.593 6.709 50 0 biogenic KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000002411515 552113681 /nfs/dbraw/zinc/11/36/81/552113681.db2.gz CFJLSOMVIOXMQA-IARZGTGTSA-N 0 3 538.531 5.105 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000002412842 552113996 /nfs/dbraw/zinc/11/39/96/552113996.db2.gz QUTMYCXWAXWEMC-NXCFDTQHSA-N 0 3 541.431 6.232 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002591563 552132664 /nfs/dbraw/zinc/13/26/64/552132664.db2.gz CXTVRUVNZZWPLP-SXLOSVNLSA-N 0 3 570.645 6.869 50 0 KKAAHN Cc1cc(C)n(-c2nc3sc4c(c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)n2)CC(C)(C)OC4)n1 ZINC000002604219 552135216 /nfs/dbraw/zinc/13/52/16/552135216.db2.gz BTBXKZIJLUSAPG-UHFFFAOYSA-N 0 3 564.759 6.257 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000002967786 552238501 /nfs/dbraw/zinc/23/85/01/552238501.db2.gz KPBFGTCZLONSCL-ZEQRLZLVSA-N 0 3 559.717 5.126 50 0 KKAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccc(F)cc1 ZINC000002968340 552240175 /nfs/dbraw/zinc/24/01/75/552240175.db2.gz GKXHAVVYFFFNCJ-QFIPXVFZSA-N 0 3 506.990 5.078 50 0 KKAAHN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000003061355 552282380 /nfs/dbraw/zinc/28/23/80/552282380.db2.gz YTRMNNRPUFGYGT-UCTFJTRWSA-N 0 3 525.718 6.279 50 0 KKAAHN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000003063265 552283869 /nfs/dbraw/zinc/28/38/69/552283869.db2.gz XDUUVIPSRBLHNM-PPFNPFNJSA-N 0 3 573.762 7.069 50 0 KKAAHN O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000003205914 552304610 /nfs/dbraw/zinc/30/46/10/552304610.db2.gz ZFCISOLEDSXKAK-GDLZYMKVSA-N 0 3 506.473 7.163 50 0 KKAAHN CCOc1ccccc1/C=C/C(=O)Nc1ccc2nc3c(c(Nc4ccc(OC)c(OC)c4)c2c1)CCCC3 ZINC000003646115 552401557 /nfs/dbraw/zinc/40/15/57/552401557.db2.gz YONKRFRIMOQNQU-QGOAFFKASA-N 0 3 523.633 6.925 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cccc(Cl)c4)ccc3nc3c2CCCC3)cc1OC ZINC000003646060 552401614 /nfs/dbraw/zinc/40/16/14/552401614.db2.gz XXSMSUUHFUGZPL-XNTDXEJSSA-N 0 3 514.025 7.180 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)[C@]3(O)c4ccccc4NC(=O)N3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000003670400 552411230 /nfs/dbraw/zinc/41/12/30/552411230.db2.gz UFHSVHIHZKHPNC-GDLZYMKVSA-N 0 3 553.490 5.527 50 0 KKAAHN CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2c(c(=O)nc1SCc1ccc(F)cc1)CCC2 ZINC000003842798 552420261 /nfs/dbraw/zinc/42/02/61/552420261.db2.gz WDPFJWLDPVQCAJ-UHFFFAOYSA-N 0 3 666.785 7.220 50 0 investigational KKAAHN Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000006166780 552556906 /nfs/dbraw/zinc/55/69/06/552556906.db2.gz ZKPYSFYEILIYPT-UHFFFAOYSA-N 0 3 616.076 8.899 50 0 KKAAHN CCCOc1ccc(C(=O)[C@H](CCCC[C@H](CN(C)C)C(=O)c2ccc(OCCC)cc2)CN(C)C)cc1 ZINC000008396642 552995483 /nfs/dbraw/zinc/99/54/83/552995483.db2.gz BTCNXYNOSGRPDI-VSGBNLITSA-N 0 3 524.746 6.246 50 0 KKAAHN O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444826 553052037 /nfs/dbraw/zinc/05/20/37/553052037.db2.gz PDXWEDPGKPWEPA-KEMCIHPCSA-N 0 3 592.504 6.033 50 0 KKAAHN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008454577 553069367 /nfs/dbraw/zinc/06/93/67/553069367.db2.gz FFKCDBDXHGVPGQ-QXNBIECVSA-N 0 3 626.949 6.686 50 0 KKAAHN COc1ccc(/C=C/C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)cc1 ZINC000008591369 553082452 /nfs/dbraw/zinc/08/24/52/553082452.db2.gz SHFLERSLERXBFX-LICLKQGHSA-N 0 3 509.606 6.535 50 0 aggregator KKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4cccc(OC)c4OC)ccc3nc3c2CCCC3)cc1OC ZINC000008591378 553082516 /nfs/dbraw/zinc/08/25/16/553082516.db2.gz GDLCHXBEXYXYFA-SFQUDFHCSA-N 0 3 539.632 6.544 50 0 KKAAHN O=C(NCCN1CCCCC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008614208 553101998 /nfs/dbraw/zinc/10/19/98/553101998.db2.gz JJSFGTOEWWPNLL-UHFFFAOYSA-N 0 3 503.647 5.127 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000008696050 553125483 /nfs/dbraw/zinc/12/54/83/553125483.db2.gz BHRDUEIPRGSBCH-CYTLCNBWSA-N 0 3 595.788 6.397 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000008817827 553153097 /nfs/dbraw/zinc/15/30/97/553153097.db2.gz VQSRNBNMHNOSTP-QFIPXVFZSA-N 0 3 500.437 5.212 50 0 KKAAHN O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC1CCN(Cc2ccccc2F)CC1 ZINC000008912139 553185306 /nfs/dbraw/zinc/18/53/06/553185306.db2.gz KVNBZLICBHMYGW-UHFFFAOYSA-N 0 3 531.701 5.454 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000008913754 553185611 /nfs/dbraw/zinc/18/56/11/553185611.db2.gz OYODENPBMNAAEW-XMMPIXPASA-N 0 3 503.647 5.125 50 0 KKAAHN O=C(c1ccccn1)C1[C@@H](C(=O)c2ccccc2F)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000009015657 553200313 /nfs/dbraw/zinc/20/03/13/553200313.db2.gz HHHGQMKDPJLJQV-YSGXDJDMSA-N 0 3 515.544 5.077 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009164714 553215664 /nfs/dbraw/zinc/21/56/64/553215664.db2.gz NYKMAHGDJZOFFH-NRFANRHFSA-N 0 3 506.391 5.795 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCCCCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000009227822 553222417 /nfs/dbraw/zinc/22/24/17/553222417.db2.gz WLTWHXKOJQOKRP-UHFFFAOYSA-N 0 3 530.113 5.246 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCCCCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000009227833 553222465 /nfs/dbraw/zinc/22/24/65/553222465.db2.gz JKLBCDCWMXSUJR-UHFFFAOYSA-N 0 3 530.113 5.246 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009433192 553262899 /nfs/dbraw/zinc/26/28/99/553262899.db2.gz SDOFMFCDEVRPSV-IZLXSDGUSA-N 0 3 501.696 5.466 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000009433223 553263028 /nfs/dbraw/zinc/26/30/28/553263028.db2.gz YDXBHKORPNXBLF-VSGBNLITSA-N 0 3 501.696 5.249 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433571 553263307 /nfs/dbraw/zinc/26/33/07/553263307.db2.gz DREGXDDIMRKLTI-VMPREFPWSA-N 0 3 513.707 5.752 50 0 KKAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4-c4ccc(C)c(C)c4)c3C)cc2)CC1 ZINC000009610299 553288260 /nfs/dbraw/zinc/28/82/60/553288260.db2.gz QPYLXKGBXRPNHU-UHFFFAOYSA-N 0 3 524.713 5.676 50 0 KKAAHN CN1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccsc2)C3)C1 ZINC000011813097 553343451 /nfs/dbraw/zinc/34/34/51/553343451.db2.gz NTODEFXBXUEMQA-NRFANRHFSA-N 0 3 511.087 5.753 50 0 KKAAHN COc1ccccc1CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCC[C@@H](C)C1 ZINC000011910095 553348710 /nfs/dbraw/zinc/34/87/10/553348710.db2.gz AZIXVFZWCNGRIN-JOCHJYFZSA-N 0 3 516.638 5.061 50 0 KKAAHN CN(Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cn3ccccc3n2)c1)Cc1cccc2cccnc21 ZINC000012151265 553352457 /nfs/dbraw/zinc/35/24/57/553352457.db2.gz HBBHKOAZCVXDBH-NDEPHWFRSA-N 0 3 533.676 5.978 50 0 KKAAHN C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCN(CC(c4ccccc4)c4ccccc4)CC3)c2C1=O ZINC000012149701 553352483 /nfs/dbraw/zinc/35/24/83/553352483.db2.gz MIVPDCFSAGZUOC-QFIPXVFZSA-N 0 3 522.674 5.454 50 0 KKAAHN Clc1ccc(-c2nc3ccccc3c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1Cl ZINC000013757054 553488283 /nfs/dbraw/zinc/48/82/83/553488283.db2.gz KAPBAIOGQFEPHT-UHFFFAOYSA-N 0 3 525.483 7.515 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013786782 553490883 /nfs/dbraw/zinc/49/08/83/553490883.db2.gz BDMBIHLTYMNYJJ-NJDAHSKKSA-N 0 3 508.188 6.351 50 0 KKAAHN COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@@H](C)C2)cc1 ZINC000015002368 553525022 /nfs/dbraw/zinc/52/50/22/553525022.db2.gz RJHAMKMYIAXCGZ-OAQYLSRUSA-N 0 3 502.611 5.018 50 0 KKAAHN Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@H]2C(Oc3ccccc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000017197529 553590186 /nfs/dbraw/zinc/59/01/86/553590186.db2.gz FLUZTMKAFAKIJL-WDYNHAJCSA-N 0 3 512.631 5.628 50 0 KKAAHN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)cc1 ZINC000020149813 553594725 /nfs/dbraw/zinc/59/47/25/553594725.db2.gz VUMNXSGZOHFUCF-UHFFFAOYSA-N 0 3 527.646 5.307 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000070670212 553601040 /nfs/dbraw/zinc/60/10/40/553601040.db2.gz HFQJBUQVKPUIOI-QHCPKHFHSA-N 0 3 621.167 7.278 50 0 biogenic KKAAHN COc1ccc(C(O)=C2C(C(=O)Nc3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000070672317 553602081 /nfs/dbraw/zinc/60/20/81/553602081.db2.gz YUDJOXKWGWQRIQ-KVOHOPFUSA-N 0 3 571.633 5.316 50 0 biogenic KKAAHN O=C(c1ccccn1)C1[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000070672871 553602702 /nfs/dbraw/zinc/60/27/02/553602702.db2.gz HRHXHMJILBVTSX-NAQGONTDSA-N 0 3 531.999 5.591 50 0 biogenic KKAAHN COC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019118075 553612426 /nfs/dbraw/zinc/61/24/26/553612426.db2.gz JDDZUUCBTHMJQH-UHFFFAOYSA-N 0 3 503.606 5.119 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000019731560 553615857 /nfs/dbraw/zinc/61/58/57/553615857.db2.gz QRXDXGBZUDUCJL-HKBQPEDESA-N 0 3 515.701 6.462 50 0 KKAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2ccc3c(c2)c2ccccc2n3CC)CN1Cc1cccc2ccccc21 ZINC000019838629 553623208 /nfs/dbraw/zinc/62/32/08/553623208.db2.gz ZQTSTAHALUPTIN-DICHSLLOSA-N 0 3 504.678 5.836 50 0 KKAAHN CCOC(=O)c1c(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)sc2c1CCCC2 ZINC000020386527 553644106 /nfs/dbraw/zinc/64/41/06/553644106.db2.gz JNAHSFRKKLRWEJ-KRWDZBQOSA-N 0 3 526.728 5.917 50 0 KKAAHN CC1=C2C[C@@H]3[C@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412768 553647147 /nfs/dbraw/zinc/64/71/47/553647147.db2.gz IBCOGKCITUYAKE-WRZLIUBLSA-N 0 3 519.129 6.505 50 0 biogenic KKAAHN Cc1ccc2[nH]c(CN(CCN(Cc3nc4cc(C)ccc4[nH]3)Cc3nc4cc(C)ccc4[nH]3)Cc3nc4cc(C)ccc4[nH]3)nc2c1 ZINC000077029766 553654710 /nfs/dbraw/zinc/65/47/10/553654710.db2.gz KZOLQEUQAFTQFM-UHFFFAOYSA-N 0 3 636.808 7.130 50 0 in-vitro KKAAHN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000020502036 553667786 /nfs/dbraw/zinc/66/77/86/553667786.db2.gz RKSJSKPKKISJJF-UHFFFAOYSA-N 0 3 515.705 6.914 50 0 KKAAHN CC[C@H](C)N(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000020508726 553668425 /nfs/dbraw/zinc/66/84/25/553668425.db2.gz ZMIQZIMIKPRVMV-PWUSVURUSA-N 0 3 533.738 6.371 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@@H]4C2)CCN1C ZINC000085541019 553683112 /nfs/dbraw/zinc/68/31/12/553683112.db2.gz QAFGBLDGRLFICB-WDYNHAJCSA-N 0 3 638.761 6.868 50 0 biogenic,in-vitro KKAAHN O=C(CCCc1cn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12)N1CCCC1 ZINC000020648870 553685403 /nfs/dbraw/zinc/68/54/03/553685403.db2.gz MEONCVYIVMZERO-UHFFFAOYSA-N 0 3 520.721 5.951 50 0 KKAAHN O=C(CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000020726724 553690273 /nfs/dbraw/zinc/69/02/73/553690273.db2.gz JNVLGQHSAYHYAA-IADYIPOJSA-N 0 3 511.691 5.237 50 0 KKAAHN CC(C)N(CCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020726416 553690350 /nfs/dbraw/zinc/69/03/50/553690350.db2.gz PKHJGHLROMYTSB-IMRQLAEWSA-N 0 3 520.098 5.847 50 0 KKAAHN CN(CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020727047 553690645 /nfs/dbraw/zinc/69/06/45/553690645.db2.gz HTKLXQXVJHJZII-ITYLOYPMSA-N 0 3 506.071 5.458 50 0 KKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020737665 553694687 /nfs/dbraw/zinc/69/46/87/553694687.db2.gz KWPZNKJRBDWMGN-XBKLCXBFSA-N 0 3 511.691 5.889 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000095346127 553701167 /nfs/dbraw/zinc/70/11/67/553701167.db2.gz QVOCJQGIFZXWSY-OCBJUFRSSA-N 0 3 522.601 6.078 50 0 KKAAHN CN1CCC(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)c3c(=O)[nH]cc(Br)c3n2)CC1 ZINC000095644293 553706595 /nfs/dbraw/zinc/70/65/95/553706595.db2.gz SXWMIXPJPNCXQQ-UHFFFAOYSA-N 0 3 521.419 5.123 50 0 in-vitro KKAAHN CCOc1ccc(C(=O)[C@@H](C[C@@H](CN2CCCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCCC2)cc1 ZINC000095721557 553710157 /nfs/dbraw/zinc/71/01/57/553710157.db2.gz CHGIQXRICGGUOO-CONSDPRKSA-N 0 3 562.795 6.924 50 0 KKAAHN CCOc1ccc(C(=O)[C@H](CC[C@H](CN2CCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCC2)cc1 ZINC000095785633 553713259 /nfs/dbraw/zinc/71/32/59/553713259.db2.gz YVTKTAFHZHUQOU-LOYHVIPDSA-N 0 3 548.768 6.534 50 0 KKAAHN CCOc1cc(CN(Cc2ccc(OC)c(OCC)c2)[C@H](Cc2ccccc2)c2ccccc2)ccc1OC ZINC000022078858 553725816 /nfs/dbraw/zinc/72/58/16/553725816.db2.gz CYAHCSHHQPVKGY-SSEXGKCCSA-N 0 3 525.689 7.487 50 0 KKAAHN CCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C ZINC000096270216 553731645 /nfs/dbraw/zinc/73/16/45/553731645.db2.gz XVBGRTMNFNMINE-UHFFFAOYSA-N 0 3 638.817 5.142 50 0 in-vitro KKAAHN COc1ccc([C@H](CC(=O)NCCN2CCCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096275512 553732529 /nfs/dbraw/zinc/73/25/29/553732529.db2.gz VZRZEUYGMJPBJM-MHZLTWQESA-N 0 3 511.666 5.500 50 0 KKAAHN CCOc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276563 553733243 /nfs/dbraw/zinc/73/32/43/553733243.db2.gz QNWGALJUVVOTPB-GDLZYMKVSA-N 0 3 513.657 5.961 50 0 KKAAHN Clc1ccc(-c2cc3ccccc3n2CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022454859 553742593 /nfs/dbraw/zinc/74/25/93/553742593.db2.gz VHNBIDMLRRINJR-UHFFFAOYSA-N 0 3 520.120 7.759 50 0 KKAAHN CC(C)Cc1ccc([C@@H](C)CC(=O)OCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 ZINC000096563915 553755771 /nfs/dbraw/zinc/75/57/71/553755771.db2.gz HDRXKOPORHCYMU-VWLOTQADSA-N 0 3 508.703 5.493 50 0 KKAAHN O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000097940116 553763553 /nfs/dbraw/zinc/76/35/53/553763553.db2.gz KUYHIOPCDBYYEW-BSBODGDASA-N 0 3 677.368 5.696 50 0 KKAAHN O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000022873391 553766194 /nfs/dbraw/zinc/76/61/94/553766194.db2.gz VHVJBTKSEFANSC-FTJBHMTQSA-N 0 3 611.584 5.705 50 0 KKAAHN CCN1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022947466 553768409 /nfs/dbraw/zinc/76/84/09/553768409.db2.gz FFVKOMHSNKRTBY-JBASAIQMSA-N 0 3 558.723 5.263 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000097953099 553819127 /nfs/dbraw/zinc/81/91/27/553819127.db2.gz BVKLXVDDFCVWMA-XPWALMASSA-N 0 3 524.791 6.246 50 0 KKAAHN CCCSc1nc2sc3c(c2c(N2CCN(C(c4ccccc4)c4ccccc4)CC2)n1)CC(C)(C)OC3 ZINC000097954500 553823562 /nfs/dbraw/zinc/82/35/62/553823562.db2.gz OYNAWKQEORYPLO-UHFFFAOYSA-N 0 3 544.790 6.956 50 0 KKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccccc4Br)nn3cnc1O2 ZINC000097954752 553825387 /nfs/dbraw/zinc/82/53/87/553825387.db2.gz AULVRMUOKHWWMX-HSZRJFAPSA-N 0 3 535.405 6.334 50 0 KKAAHN Cc1nn2c(nc(C)cc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1Cl ZINC000027585450 553835486 /nfs/dbraw/zinc/83/54/86/553835486.db2.gz SSQBLIBRRAVGGX-UHFFFAOYSA-N 0 3 508.069 6.578 50 0 KKAAHN COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000028116057 553837848 /nfs/dbraw/zinc/83/78/48/553837848.db2.gz WVTKBKWTSCPRNU-KYJUHHDHSA-N 0 3 622.762 7.162 50 0 endogenous,in-man KKAAHN COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4 ZINC000030726947 553855448 /nfs/dbraw/zinc/85/54/48/553855448.db2.gz HGNHIFJNOKGSKI-WDYNHAJCSA-N 0 3 608.735 6.859 50 0 endogenous,in-man KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963606 553892501 /nfs/dbraw/zinc/89/25/01/553892501.db2.gz DAZMVROLEAUXGF-UHFFFAOYSA-N 0 3 581.760 5.478 50 0 KKAAHN O=C(NCCN1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000033252323 553913916 /nfs/dbraw/zinc/91/39/16/553913916.db2.gz GNYXPCBSEXDCJB-UHFFFAOYSA-N 0 3 524.065 5.390 50 0 KKAAHN Cc1ccc(-c2noc(CC(C(=O)CCC(=O)Nc3ccc(C(F)(F)F)cc3)c3nc(-c4ccc(C)cc4)no3)n2)cc1 ZINC000033356859 553945180 /nfs/dbraw/zinc/94/51/80/553945180.db2.gz QTHVYMQMJBJDMZ-DEOSSOPVSA-N 0 3 589.574 6.737 50 0 KKAAHN COc1cc(OC)cc([C@H](CC(=O)NCCN(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000033724991 553970429 /nfs/dbraw/zinc/97/04/29/553970429.db2.gz QCUBHRHQAWVDBA-MHZLTWQESA-N 0 3 503.618 5.046 50 0 KKAAHN CC[C@H](C(=O)Nc1ccc(N2CCCN(Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1 ZINC000034681883 553985083 /nfs/dbraw/zinc/98/50/83/553985083.db2.gz BGXIWZFATUKMDG-HKBQPEDESA-N 0 3 520.677 6.719 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H](CN2CCN(c3ccccc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698407 553991606 /nfs/dbraw/zinc/99/16/06/553991606.db2.gz VKQHZIOKWUMCDC-KCWPFWIISA-N 0 3 511.563 5.523 50 0 KKAAHN Cc1cc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)oc1C ZINC000034699131 553991815 /nfs/dbraw/zinc/99/18/15/553991815.db2.gz HTDMDWOPRKQETE-CUBQBAPOSA-N 0 3 530.606 7.068 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699121 553991993 /nfs/dbraw/zinc/99/19/93/553991993.db2.gz XFOAKDYXTUUMFD-YIXXDRMTSA-N 0 3 515.595 6.197 50 0 KKAAHN CC(C)CN(C[C@H]1CN(Cc2ccsc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699123 553992008 /nfs/dbraw/zinc/99/20/08/553992008.db2.gz CWSPZNYWOHJHMV-ZEQKJWHPSA-N 0 3 518.620 6.920 50 0 KKAAHN COc1ccccc1CN1C[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034699146 553992474 /nfs/dbraw/zinc/99/24/74/553992474.db2.gz WBRNZEMHVSKXTL-RPLLCQBOSA-N 0 3 528.590 6.620 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000034723988 553996445 /nfs/dbraw/zinc/99/64/45/553996445.db2.gz UQJJXYIKUKFGTR-UHFFFAOYSA-N 0 3 519.089 5.267 50 0 KKAAHN CC(C)N(C(=O)COc1cccc(Br)c1)C1(C(=O)Nc2ccc(F)cc2)CCN(C(C)C)CC1 ZINC000097982276 554000593 /nfs/dbraw/zinc/00/05/93/554000593.db2.gz HJCYAWSRDASQOR-UHFFFAOYSA-N 0 3 534.470 5.086 50 0 KKAAHN COc1ccccc1-c1cc(C(=O)N(CCN(C)C)Cc2ccccc2)n2nc(-c3ccccc3)cc2n1 ZINC000034834088 554018602 /nfs/dbraw/zinc/01/86/02/554018602.db2.gz BWKGHZPAHSEAMT-UHFFFAOYSA-N 0 3 505.622 5.276 50 0 KKAAHN O=C(c1nn2c(nc(-c3ccc(Br)o3)cc2C(F)(F)F)c1Br)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098005773 554058535 /nfs/dbraw/zinc/05/85/35/554058535.db2.gz FEYISGXBYJYJJY-UHFFFAOYSA-N 0 3 657.329 6.260 50 0 KKAAHN COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)c3N2)cc1 ZINC000098005994 554060268 /nfs/dbraw/zinc/06/02/68/554060268.db2.gz KMHYZAIQYYMDLL-RIHOBDQLSA-N 0 3 543.634 5.279 50 0 KKAAHN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)cc3N2)cc1OC ZINC000098006283 554061115 /nfs/dbraw/zinc/06/11/15/554061115.db2.gz AYVCODBACZNFIJ-AXWVQCKLSA-N 0 3 573.660 5.287 50 0 KKAAHN COc1cc(OC)cc([C@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000035768865 554072167 /nfs/dbraw/zinc/07/21/67/554072167.db2.gz VAXWGXSHPQDZSQ-LJAQVGFWSA-N 0 3 511.666 5.441 50 0 KKAAHN Cc1ccc(Cn2cc([C@@H](CC(=O)NCCN3CCCCC3)c3cccc(Cl)c3)c3ccccc32)cc1 ZINC000035815830 554078706 /nfs/dbraw/zinc/07/87/06/554078706.db2.gz XEIQSCQBRWVLQI-LJAQVGFWSA-N 0 3 514.113 6.776 50 0 KKAAHN COc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000035836014 554080056 /nfs/dbraw/zinc/08/00/56/554080056.db2.gz AZKAXNYKMNVODI-QHCPKHFHSA-N 0 3 526.559 6.007 50 0 KKAAHN CCOC(=O)c1ccc(NC(=O)N(Cc2ccccc2)C[C@H]2CC(c3ccc(N(C)C)cc3)=NO2)cc1 ZINC000035835978 554080166 /nfs/dbraw/zinc/08/01/66/554080166.db2.gz NQTIPHAAKWSMGI-AREMUKBSSA-N 0 3 500.599 5.157 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842589 554080879 /nfs/dbraw/zinc/08/08/79/554080879.db2.gz KMHSFFQWXINQFH-GDLZYMKVSA-N 0 3 535.773 5.781 50 0 KKAAHN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)C(C)C ZINC000035842601 554081188 /nfs/dbraw/zinc/08/11/88/554081188.db2.gz HZKZHBPVVRKOIZ-SSEXGKCCSA-N 0 3 521.746 5.392 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035843200 554081683 /nfs/dbraw/zinc/08/16/83/554081683.db2.gz JNONEFZBHJQXSE-NGAUBYBASA-N 0 3 519.000 6.055 50 0 KKAAHN COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@H]23)c1 ZINC000035871976 554086421 /nfs/dbraw/zinc/08/64/21/554086421.db2.gz YAFRJORLWKGUDR-AHKZPQOWSA-N 0 3 509.572 5.258 50 0 KKAAHN CCn1cc([C@@H](CC(=O)NC2CCN(Cc3ccccc3)CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872301 554086672 /nfs/dbraw/zinc/08/66/72/554086672.db2.gz JBVGZJKDSZZNLC-PMERELPUSA-N 0 3 525.693 5.981 50 0 KKAAHN COc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098012454 554090855 /nfs/dbraw/zinc/09/08/55/554090855.db2.gz UXQZAOUPAXKGFG-YTTGMZPUSA-N 0 3 583.758 5.012 50 0 KKAAHN CN(C)CCNC(=O)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000098019870 554115072 /nfs/dbraw/zinc/11/50/72/554115072.db2.gz IHDPHBAPJQQVQX-UHFFFAOYSA-N 0 3 618.847 7.238 50 0 KKAAHN CN(c1ccc(NC(=O)C2CC2)cc1CN(C(=O)Nc1cccc(F)c1)C1CCCCC1)C1CCN(C)CC1 ZINC000036015633 554135747 /nfs/dbraw/zinc/13/57/47/554135747.db2.gz NXVVSIBYOJRWLA-UHFFFAOYSA-N 0 3 535.708 6.071 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C(C)C)cc2)cc1 ZINC000036046198 554153774 /nfs/dbraw/zinc/15/37/74/554153774.db2.gz ZGEWMHDFEZDNJM-UHFFFAOYSA-N 0 3 523.681 5.614 50 0 KKAAHN O[C@@H](CNCc1ccccc1)Cn1c2ccc(I)cc2c2cc(I)ccc21 ZINC000098050487 554174999 /nfs/dbraw/zinc/17/49/99/554174999.db2.gz BGTKHNYTCPBHRG-SFHVURJKSA-N 0 3 582.223 5.154 50 0 KKAAHN CCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)cc1 ZINC000036167682 554200009 /nfs/dbraw/zinc/20/00/09/554200009.db2.gz SRZHKCUJXDUPQR-UHFFFAOYSA-N 0 3 501.623 6.002 50 0 KKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@@H](O)COCC(C)C ZINC000036301730 554211944 /nfs/dbraw/zinc/21/19/44/554211944.db2.gz VTDPTGBEPFXRNC-RUZDIDTESA-N 0 3 500.083 6.118 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036304266 554214310 /nfs/dbraw/zinc/21/43/10/554214310.db2.gz KYAXCRBSMHULSO-SANMLTNESA-N 0 3 503.593 6.067 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305193 554215021 /nfs/dbraw/zinc/21/50/21/554215021.db2.gz AUWCUDOATMYMCH-VWLOTQADSA-N 0 3 518.057 6.185 50 0 KKAAHN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COCc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307271 554215839 /nfs/dbraw/zinc/21/58/39/554215839.db2.gz IXQVZYSKMBTJRB-MHZLTWQESA-N 0 3 515.629 5.808 50 0 KKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000100208448 554248690 /nfs/dbraw/zinc/24/86/90/554248690.db2.gz UBUGFDQTDHKARO-VSKRKVRLSA-N 0 3 531.328 5.827 50 0 KKAAHN O=C(Nc1cccc(Cl)c1)NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000037525635 554250641 /nfs/dbraw/zinc/25/06/41/554250641.db2.gz XNCLMZKZPICNMV-UHFFFAOYSA-N 0 3 538.136 5.611 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000049625580 554324207 /nfs/dbraw/zinc/32/42/07/554324207.db2.gz SQHWUCVCWKDAIS-QOEKSOTFSA-N 0 3 541.739 6.976 50 0 KKAAHN CCOc1c(Br)cc([C@@H]2NC[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356903 554344891 /nfs/dbraw/zinc/34/48/91/554344891.db2.gz CEYLFJGEHUEGAU-CLOONOSVSA-N 0 3 537.454 6.179 50 0 KKAAHN COc1cc([C@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000053356150 554345029 /nfs/dbraw/zinc/34/50/29/554345029.db2.gz SBJYLUVEUBELOW-NLGDKJDOSA-N 0 3 552.074 6.980 50 0 KKAAHN COc1ccc([C@H]2C[NH2+][C@@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390750 554348740 /nfs/dbraw/zinc/34/87/40/554348740.db2.gz IALDDJYIZAGUBA-NSJVFKKDSA-N 0 3 537.685 6.284 50 0 KKAAHN COc1ccc([C@@H]2C[NH2+][C@@](C)(c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)c3[nH]c4ccccc4c32)cc1 ZINC000053390744 554348747 /nfs/dbraw/zinc/34/87/47/554348747.db2.gz IALDDJYIZAGUBA-IUDBTDONSA-N 0 3 537.685 6.284 50 0 KKAAHN CCN1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3)CC1 ZINC000059503767 554399794 /nfs/dbraw/zinc/39/97/94/554399794.db2.gz GYZPVZJUMXWBLB-UHFFFAOYSA-N 0 3 549.140 5.409 50 0 KKAAHN c1ccc([C@@H]2CC[C@@H](c3ccccc3)P2CCP2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1 ZINC000060290818 554504933 /nfs/dbraw/zinc/50/49/33/554504933.db2.gz VHHAZLMVLLIMHT-CUPIEXAXSA-N 0 3 506.610 10.503 50 0 KKAAHN CN(C)c1ccc(CN(CCCc2nc(-c3ccccc3)no2)CCCc2nc(-c3ccccc3)no2)cn1 ZINC000062613768 554507451 /nfs/dbraw/zinc/50/74/51/554507451.db2.gz NFQVRDOWNKIVKQ-UHFFFAOYSA-N 0 3 523.641 5.315 50 0 KKAAHN O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1NCCc2ccccc21 ZINC000100927858 554525004 /nfs/dbraw/zinc/52/50/04/554525004.db2.gz XCXCTADEDYBQGZ-OHXOMFROSA-N 0 3 512.997 5.094 50 0 KKAAHN CCC[C@@H](OC)c1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000067664826 554532688 /nfs/dbraw/zinc/53/26/88/554532688.db2.gz QDIGHYCNRQYPFR-JOCHJYFZSA-N 0 3 675.345 7.081 50 0 in-vitro KKAAHN CCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101009615 554557216 /nfs/dbraw/zinc/55/72/16/554557216.db2.gz RADVIKCJDOXKSC-CONSDPRKSA-N 0 3 571.718 5.184 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2cccs2)c(C)c1 ZINC000101052917 554568908 /nfs/dbraw/zinc/56/89/08/554568908.db2.gz JOEOKJXDNKQEDK-LJAQVGFWSA-N 0 3 559.761 5.065 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccsc2)c(C)c1 ZINC000101052896 554568932 /nfs/dbraw/zinc/56/89/32/554568932.db2.gz RNQBQOYYZHSDBW-LJAQVGFWSA-N 0 3 559.761 5.065 50 0 KKAAHN COc1cc(C(=O)N2CCC[C@H](COc3ccc(CN(C)Cc4cccc5ccccc54)cc3)C2)cc(OC)c1OC ZINC000101052864 554568970 /nfs/dbraw/zinc/56/89/70/554568970.db2.gz SZMIGQJOVZYKPA-SANMLTNESA-N 0 3 568.714 6.429 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101115706 554643212 /nfs/dbraw/zinc/64/32/12/554643212.db2.gz AXWGVJBZYGTVMO-NLDZOOGBSA-N 0 3 534.568 5.274 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101115706 554643213 /nfs/dbraw/zinc/64/32/13/554643213.db2.gz AXWGVJBZYGTVMO-NLDZOOGBSA-N 0 3 534.568 5.274 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1Br ZINC000101200817 554672734 /nfs/dbraw/zinc/67/27/34/554672734.db2.gz TWXMRUSISZIMHZ-VSKRKVRLSA-N 0 3 513.775 5.162 50 0 KKAAHN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CCN(CC)CC2)cc1 ZINC000101216658 554684282 /nfs/dbraw/zinc/68/42/82/554684282.db2.gz MPWSXRLDQCEBNO-AREMUKBSSA-N 0 3 606.620 5.141 50 0 KKAAHN CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)CCN3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000101341115 554735250 /nfs/dbraw/zinc/73/52/50/554735250.db2.gz UCFQKCDRLWOBKQ-PMERELPUSA-N 0 3 565.805 5.306 50 0 KKAAHN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000101359301 554741497 /nfs/dbraw/zinc/74/14/97/554741497.db2.gz CKXIUWLCPFUSTG-OVDFTCDZSA-N 0 3 536.678 6.364 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386145 554751147 /nfs/dbraw/zinc/75/11/47/554751147.db2.gz ZQXVFZVLCKCNRN-DHIFEGFHSA-N 0 3 555.767 5.766 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386127 554751256 /nfs/dbraw/zinc/75/12/56/554751256.db2.gz AZJGLKSQJNWUGV-NSJVFKKDSA-N 0 3 582.745 6.340 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)C[C@@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386197 554751452 /nfs/dbraw/zinc/75/14/52/554751452.db2.gz LINHNLOWQAVSJX-CVYDZTKKSA-N 0 3 640.800 6.894 50 0 KKAAHN Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCCN4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506260 554789886 /nfs/dbraw/zinc/78/98/86/554789886.db2.gz ZCXMYTBJPFHNHU-UOZKZNBHSA-N 0 3 630.858 6.921 50 0 KKAAHN COc1cccc(C(=O)N2CCC[C@@H](COc3ccc(CN(C)Cc4cccc5ccccc54)cc3)C2)c1OC ZINC000101603895 554804785 /nfs/dbraw/zinc/80/47/85/554804785.db2.gz VTZDGGPXLGGHMY-AREMUKBSSA-N 0 3 538.688 6.420 50 0 KKAAHN O=C(NCCCN(Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101617760 554806347 /nfs/dbraw/zinc/80/63/47/554806347.db2.gz MRCUCPRDJPJKLX-IHLOFXLRSA-N 0 3 545.749 6.516 50 0 KKAAHN CCCC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(c3cccc(Br)c3)C(=O)C12 ZINC000101629709 554811364 /nfs/dbraw/zinc/81/13/64/554811364.db2.gz SIRLVKGYDCUFAD-QKENHZOPSA-N 0 3 540.457 6.555 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000101637780 554813858 /nfs/dbraw/zinc/81/38/58/554813858.db2.gz WFXKCVPDCZYZLV-UHFFFAOYSA-N 0 3 582.166 5.965 50 0 KKAAHN CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101645524 554815374 /nfs/dbraw/zinc/81/53/74/554815374.db2.gz DEHVEXZFSINEGX-VJBWXMMDSA-N 0 3 589.273 5.415 50 0 KKAAHN CCOc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101645524 554815378 /nfs/dbraw/zinc/81/53/78/554815378.db2.gz DEHVEXZFSINEGX-VJBWXMMDSA-N 0 3 589.273 5.415 50 0 KKAAHN O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)[C@H]1C[C@H]1c1ccccc1 ZINC000101661547 554821874 /nfs/dbraw/zinc/82/18/74/554821874.db2.gz WFFJKQLSEQIELF-XCZPVHLTSA-N 0 3 532.610 6.294 50 0 KKAAHN Cc1ccc(-n2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000101739785 554833900 /nfs/dbraw/zinc/83/39/00/554833900.db2.gz NQMGBMCNHKPPGX-UHFFFAOYSA-N 0 3 571.766 5.998 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101843158 554842959 /nfs/dbraw/zinc/84/29/59/554842959.db2.gz DFSIEZWLZUDNIX-KYJUHHDHSA-N 0 3 544.765 5.009 50 0 KKAAHN CSc1ccc(NC(=O)CC[C@H]2CN(Cc3ccccn3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101889578 554846201 /nfs/dbraw/zinc/84/62/01/554846201.db2.gz NCLFWVRMIBSWFW-QABMSTFYSA-N 0 3 597.751 6.254 50 0 KKAAHN CN(Cc1ccc(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000101956325 554853274 /nfs/dbraw/zinc/85/32/74/554853274.db2.gz JCUSVCKJHRLVMI-UHFFFAOYSA-N 0 3 547.621 6.498 50 0 KKAAHN Cc1ccccc1OC[C@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000102102985 554882062 /nfs/dbraw/zinc/88/20/62/554882062.db2.gz QKIXGMXKLACKEF-JGCGQSQUSA-N 0 3 583.817 6.743 50 0 KKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(CC(C)C)C[C@H](O)COCc1ccccc1 ZINC000102104401 554882396 /nfs/dbraw/zinc/88/23/96/554882396.db2.gz HMFQKLPQKMUUQF-MHZLTWQESA-N 0 3 535.635 6.287 50 0 KKAAHN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCN3CCC(Cc4ccccc4)CC3)cnn2-c2ccccc2Cl)CC1 ZINC000102129857 554884664 /nfs/dbraw/zinc/88/46/64/554884664.db2.gz RJTCUAYJLZALDO-UHFFFAOYSA-N 0 3 606.211 6.325 50 0 KKAAHN COc1cccc(N2CCN(C[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102136029 554887787 /nfs/dbraw/zinc/88/77/87/554887787.db2.gz PFYCXLBTXSSNCF-NEKDWFFYSA-N 0 3 541.589 5.531 50 0 KKAAHN CCCCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)s2)cc1 ZINC000102220234 554898687 /nfs/dbraw/zinc/89/86/87/554898687.db2.gz ZICZSRXUBRJUQF-UHFFFAOYSA-N 0 3 572.804 6.677 50 0 KKAAHN COc1ccc(-c2ccccc2)cc1NC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000102253154 554904047 /nfs/dbraw/zinc/90/40/47/554904047.db2.gz BNKBIOUYEQDIFR-BHBYDHKZSA-N 0 3 548.127 5.957 50 0 KKAAHN O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102300126 554908472 /nfs/dbraw/zinc/90/84/72/554908472.db2.gz YZSPBYUEUJMJPA-QVWWMRLHSA-N 0 3 559.154 6.124 50 0 KKAAHN COc1ccc(CN2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cccc4ccccc43)C2)cc1OC ZINC000102415015 554924557 /nfs/dbraw/zinc/92/45/57/554924557.db2.gz JDELCIKPOLKRNC-XZWHSSHBSA-N 0 3 577.725 5.739 50 0 KKAAHN Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCN(C)C4)c2)OCCN(C(=O)c2cccc(Cn4cccn4)c2)C3)s1 ZINC000102548886 554960535 /nfs/dbraw/zinc/96/05/35/554960535.db2.gz CZZRJWORNLZJDH-RUZDIDTESA-N 0 3 556.732 5.724 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564046 554969395 /nfs/dbraw/zinc/96/93/95/554969395.db2.gz NJMUSOJLJZIDAC-PFBJBMPXSA-N 0 3 559.405 6.264 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564046 554969398 /nfs/dbraw/zinc/96/93/98/554969398.db2.gz NJMUSOJLJZIDAC-PFBJBMPXSA-N 0 3 559.405 6.264 50 0 KKAAHN O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](NCc2cccc(C(F)(F)F)c2)CN1Cc1cccc(Cl)c1 ZINC000102602042 554977977 /nfs/dbraw/zinc/97/79/77/554977977.db2.gz QQVTUVILUGMNRD-DQEYMECFSA-N 0 3 560.016 5.179 50 0 KKAAHN O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](NCc2cccc(C(F)(F)F)c2)CN1Cc1ccc(Cl)cc1 ZINC000102601692 554977990 /nfs/dbraw/zinc/97/79/90/554977990.db2.gz WYFQEWCMLOHOKT-DQEYMECFSA-N 0 3 560.016 5.179 50 0 KKAAHN CCCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1 ZINC000102710556 555016473 /nfs/dbraw/zinc/01/64/73/555016473.db2.gz NWLXEDGWYHCHDE-OZNIXHKMSA-N 0 3 516.594 5.411 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102744919 555036471 /nfs/dbraw/zinc/03/64/71/555036471.db2.gz AEFDWUVQUGACEF-MPFGFTFXSA-N 0 3 534.568 5.274 50 0 KKAAHN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21 ZINC000102745178 555036934 /nfs/dbraw/zinc/03/69/34/555036934.db2.gz FULGUTCIYVSNFL-QHAWAJNXSA-N 0 3 579.665 5.669 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4OC)C(=O)N32)cc1 ZINC000102746935 555040136 /nfs/dbraw/zinc/04/01/36/555040136.db2.gz QTADCTXZAXBEOR-XNMGPUDCSA-N 0 3 583.714 5.073 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)cc4)[C@H]3C2=O)c(C)c1 ZINC000102747758 555041348 /nfs/dbraw/zinc/04/13/48/555041348.db2.gz VTVNOTGYZLGYBT-IDZRBWSNSA-N 0 3 504.586 5.934 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102750378 555044060 /nfs/dbraw/zinc/04/40/60/555044060.db2.gz IPYLSQHNZKETOM-FRXPANAUSA-N 0 3 548.595 5.746 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102751226 555044517 /nfs/dbraw/zinc/04/45/17/555044517.db2.gz UPDAUNONDMLKSA-CCDWMCETSA-N 0 3 523.347 6.444 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@H]3C2=O)c1 ZINC000102755296 555046934 /nfs/dbraw/zinc/04/69/34/555046934.db2.gz KHQGCGYRQIVSDU-TWJOJJKGSA-N 0 3 519.384 6.613 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)[C@@H]2C1=O ZINC000102757292 555049901 /nfs/dbraw/zinc/04/99/01/555049901.db2.gz OCRCVPBFALTMSO-YTCPBCGMSA-N 0 3 534.568 5.356 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)c(Br)c4)[C@H]3C2=O)cc1 ZINC000102759301 555051212 /nfs/dbraw/zinc/05/12/12/555051212.db2.gz YLUNISOTQNJPEO-TZRRMPRUSA-N 0 3 525.374 5.428 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759420 555051241 /nfs/dbraw/zinc/05/12/41/555051241.db2.gz CPSGHXNMBSAQQG-PCCBWWKXSA-N 0 3 501.739 5.293 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(Br)ccc4OC)[C@H]3C2=O)cc1 ZINC000102759973 555051804 /nfs/dbraw/zinc/05/18/04/555051804.db2.gz SCCKIMDCSYGQJK-DSNGMDLFSA-N 0 3 537.410 5.298 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000102763004 555053704 /nfs/dbraw/zinc/05/37/04/555053704.db2.gz MENVRHRUVZKQLR-CCDWMCETSA-N 0 3 537.410 5.298 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000102768339 555056112 /nfs/dbraw/zinc/05/61/12/555056112.db2.gz YXZMETQFKGFUTE-KMDXXIMOSA-N 0 3 507.384 5.289 50 0 KKAAHN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000102787448 555068044 /nfs/dbraw/zinc/06/80/44/555068044.db2.gz OGYAOWRGUYNXCT-LZBRRTOVSA-N 0 3 616.831 6.613 50 0 KKAAHN CCN1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000102791118 555068958 /nfs/dbraw/zinc/06/89/58/555068958.db2.gz WZHPSMDKZMIHFA-OFWBYEQRSA-N 0 3 540.733 5.042 50 0 KKAAHN CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@H]3c4cc(OC)c(OC)cc4CCN3C[C@@H]2CC)cc1 ZINC000102807544 555073534 /nfs/dbraw/zinc/07/35/34/555073534.db2.gz KQLDASGMVSYSES-WBRRLNHMSA-N 0 3 628.810 6.895 50 0 biogenic KKAAHN O=C(CCN1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839185 555080667 /nfs/dbraw/zinc/08/06/67/555080667.db2.gz FMVBMVQXNSQGMM-MHZLTWQESA-N 0 3 542.532 5.767 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C1=O)CCCC2 ZINC000102860583 555090610 /nfs/dbraw/zinc/09/06/10/555090610.db2.gz IWFOOAMFMMDWIE-KMDXXIMOSA-N 0 3 605.927 6.815 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4C)[C@@H](c4cccs4)[C@H]3C1=O)CCCC2 ZINC000102860640 555090903 /nfs/dbraw/zinc/09/09/03/555090903.db2.gz QDOVJPPZPYWNSY-XPWALMASSA-N 0 3 522.648 5.225 50 0 KKAAHN CCOC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000102862155 555092228 /nfs/dbraw/zinc/09/22/28/555092228.db2.gz XGGRGRIBRQXWRZ-DSNGMDLFSA-N 0 3 516.619 5.163 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000102863280 555093231 /nfs/dbraw/zinc/09/32/31/555093231.db2.gz XCFNHJLMJLEOPY-TZRRMPRUSA-N 0 3 504.608 5.210 50 0 KKAAHN O=C(c1ccccc1Cl)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000102885529 555115836 /nfs/dbraw/zinc/11/58/36/555115836.db2.gz OQXIXKSPTORELV-BYBRNZAOSA-N 0 3 571.485 6.911 50 0 KKAAHN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102897231 555137547 /nfs/dbraw/zinc/13/75/47/555137547.db2.gz KDWRELCAWIZHRN-JBOQNHBVSA-N 0 3 555.030 6.369 50 0 KKAAHN Cc1cc(C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C(=O)C4ON3c3ccccc3)cc2)n(C)n1 ZINC000102928774 555154521 /nfs/dbraw/zinc/15/45/21/555154521.db2.gz PCLIYQSQRUVLBO-NXCFDTQHSA-N 0 3 577.424 5.306 50 0 KKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2cccc(Br)c2)cc1 ZINC000103025147 555215536 /nfs/dbraw/zinc/21/55/36/555215536.db2.gz YSNVCRQLJRUZRP-DNVJHFABSA-N 0 3 511.803 5.770 50 0 KKAAHN COc1ccc(CN(CCN(C)C)C(=O)c2ccccc2Cl)cc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103075515 555255224 /nfs/dbraw/zinc/25/52/24/555255224.db2.gz LHFKYYSOKWJVOA-UHFFFAOYSA-N 0 3 571.910 5.627 50 0 KKAAHN CCOC(=O)c1ccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000103109473 555284565 /nfs/dbraw/zinc/28/45/65/555284565.db2.gz ZQYBLDVERXDKQT-AGUBCAFJSA-N 0 3 566.742 6.533 50 0 KKAAHN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)CC2)cc1 ZINC000103146505 555313809 /nfs/dbraw/zinc/31/38/09/555313809.db2.gz MBRLUOZMEKATMW-UHFFFAOYSA-N 0 3 565.824 5.331 50 0 KKAAHN COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CCN(C)C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000103269206 555348564 /nfs/dbraw/zinc/34/85/64/555348564.db2.gz IVGFQOMRCKZXED-UHFFFAOYSA-N 0 3 566.489 5.497 50 0 KKAAHN COc1cccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000103278728 555350768 /nfs/dbraw/zinc/35/07/68/555350768.db2.gz UHIDOZFZKKIJFV-UHFFFAOYSA-N 0 3 565.596 5.209 50 0 KKAAHN COc1ccc(C(=O)N(CCN(C)C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2cccc(C)c2)cc1 ZINC000103306247 555356390 /nfs/dbraw/zinc/35/63/90/555356390.db2.gz JQLCJCGDMZTSBB-UHFFFAOYSA-N 0 3 546.071 5.152 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000103307668 555356791 /nfs/dbraw/zinc/35/67/91/555356791.db2.gz WMDFMHWRZXWSPH-UHFFFAOYSA-N 0 3 549.115 5.032 50 0 KKAAHN O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)NCCN1CCCC1 ZINC000103420775 555401354 /nfs/dbraw/zinc/40/13/54/555401354.db2.gz IMLBZPJYUUDNNW-MGBGTMOVSA-N 0 3 543.711 7.216 50 0 KKAAHN CC(C)(C)C(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103530867 555431187 /nfs/dbraw/zinc/43/11/87/555431187.db2.gz AZKFRKYWHBXYFA-ZGQJUUMOSA-N 0 3 545.466 6.582 50 0 KKAAHN CC1=CC(=O)N(N=c2nc(-c3cccs3)[nH]c3scc(-c4ccc(OCCN5CCCCC5)cc4)c32)C1=O ZINC000138848380 562832187 /nfs/dbraw/zinc/83/21/87/562832187.db2.gz OXNBMLGWGCJMBQ-UHFFFAOYSA-N 0 3 545.690 5.594 50 0 KKAAHN COc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000104784344 571386024 /nfs/dbraw/zinc/38/60/24/571386024.db2.gz ILVCQAXIJWUZNV-BHIFYINESA-N 0 3 575.246 5.024 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000105795881 571408694 /nfs/dbraw/zinc/40/86/94/571408694.db2.gz YPNBMVQWNKQRHU-OJDZSJEKSA-N 0 3 596.611 5.893 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000105795862 571408746 /nfs/dbraw/zinc/40/87/46/571408746.db2.gz RFPUSBURMCLQQW-IEMSDXTESA-N 0 3 590.701 6.320 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000105863849 571409061 /nfs/dbraw/zinc/40/90/61/571409061.db2.gz YZRKFWBJWMWSRQ-UEPSORHFSA-N 0 3 570.822 6.146 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4OS(=O)(=O)c4ccccc4)[C@H]3C2=O)cc1 ZINC000106015063 571410376 /nfs/dbraw/zinc/41/03/76/571410376.db2.gz XFELALQDBMLPHO-DYIKCSJPSA-N 0 3 584.650 5.294 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5cc(Cl)ccc5Cl)o4)[C@H]3C2=O)cc1 ZINC000106015209 571410379 /nfs/dbraw/zinc/41/03/79/571410379.db2.gz JUWJHVJHPZTPOU-JCYYIGJDSA-N 0 3 563.437 7.093 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)c(Cl)c5)o4)[C@@H]3C2=O)cc1 ZINC000106018534 571410479 /nfs/dbraw/zinc/41/04/79/571410479.db2.gz BTHXBGCMBIWQBY-HZFUHODCSA-N 0 3 563.437 7.093 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Br)cc5)o4)[C@H]3C2=O)cc1 ZINC000106018571 571410601 /nfs/dbraw/zinc/41/06/01/571410601.db2.gz JLVJUJUWUPBZTE-OZNIXHKMSA-N 0 3 573.443 6.549 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000106019727 571410714 /nfs/dbraw/zinc/41/07/14/571410714.db2.gz ONBXBWJKOBDODI-BHIFYINESA-N 0 3 552.439 5.565 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106019534 571410770 /nfs/dbraw/zinc/41/07/70/571410770.db2.gz DMRFTMFYUPUYNI-JCYYIGJDSA-N 0 3 554.986 5.619 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000106020958 571410929 /nfs/dbraw/zinc/41/09/29/571410929.db2.gz UXFKNZYGKMLBPR-YKILCQELSA-N 0 3 564.638 6.114 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2cccnc2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000106103537 571411391 /nfs/dbraw/zinc/41/13/91/571411391.db2.gz UBUUVUDADUWAJX-BOPYDDIESA-N 0 3 621.870 6.579 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C2=O)cc1 ZINC000137883755 571450581 /nfs/dbraw/zinc/45/05/81/571450581.db2.gz XBGLYYZHIOZHGA-KMDXXIMOSA-N 0 3 512.484 5.425 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[C@@H]3C2=O)c1 ZINC000137829679 571450713 /nfs/dbraw/zinc/45/07/13/571450713.db2.gz UDLZVMLPKSEDRB-UNCTUWKVSA-N 0 3 512.650 6.347 50 0 KKAAHN Cc1ccc(N2CCN(C[C@H](O)Cn3c4ccc(I)cc4c4cc(I)ccc43)CC2)cc1 ZINC000150344763 571459448 /nfs/dbraw/zinc/45/94/48/571459448.db2.gz SAGMBZVDSGRPPG-QFIPXVFZSA-N 0 3 651.330 5.495 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000150344813 571459480 /nfs/dbraw/zinc/45/94/80/571459480.db2.gz JLVIBXZXLSSJGK-WMPKNSHKSA-N 0 3 848.272 7.992 50 0 KKAAHN Cc1ccc(N2CCN(C[C@@H](O)Cn3c4ccc(I)cc4c4cc(I)ccc43)CC2)cc1 ZINC000150344764 571459507 /nfs/dbraw/zinc/45/95/07/571459507.db2.gz SAGMBZVDSGRPPG-JOCHJYFZSA-N 0 3 651.330 5.495 50 0 KKAAHN CN(C)c1ccc(NC(=O)C2(N(Cc3ccc(C(F)(F)F)cc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CCN(C)CC2)cc1 ZINC000150346458 571460498 /nfs/dbraw/zinc/46/04/98/571460498.db2.gz CHBHFXPNMOLXSG-LJAQVGFWSA-N 0 3 652.787 5.135 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150346641 571460604 /nfs/dbraw/zinc/46/06/04/571460604.db2.gz LLOMTMXQLYGCNY-PZSMLTKBSA-N 0 3 715.861 7.593 50 0 KKAAHN CCOc1ccc(-c2nc(CN(Cc3csc(-c4ccc(OCC)c(OC)c4)n3)C3CCN(Cc4ccccc4)CC3)cs2)cc1OC ZINC000150385760 571468966 /nfs/dbraw/zinc/46/89/66/571468966.db2.gz UDYUOQFHJILEKW-UHFFFAOYSA-N 0 3 684.928 8.415 50 0 KKAAHN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1 ZINC000150388988 571471327 /nfs/dbraw/zinc/47/13/27/571471327.db2.gz XHOIIYVGNVQGMV-UHFFFAOYSA-N 0 3 665.793 10.187 50 0 KKAAHN COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000150389085 571471465 /nfs/dbraw/zinc/47/14/65/571471465.db2.gz KZIZGKNJCBILNH-UHFFFAOYSA-N 0 3 685.736 8.580 50 0 KKAAHN Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)ccc1Cl ZINC000150389058 571471473 /nfs/dbraw/zinc/47/14/73/571471473.db2.gz OWGMKWDHZRYUEM-UHFFFAOYSA-N 0 3 684.966 10.206 50 0 KKAAHN CC(C)CN(Cc1c(OC(=O)/C=C/c2ccccc2Cl)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389189 571471570 /nfs/dbraw/zinc/47/15/70/571471570.db2.gz XZNOQOMCPZIAQF-CXUHLZMHSA-N 0 3 662.532 9.644 50 0 KKAAHN COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150389222 571471649 /nfs/dbraw/zinc/47/16/49/571471649.db2.gz MLUDJARQLMYGFK-CXUHLZMHSA-N 0 3 672.140 9.307 50 0 KKAAHN CC(C)CN(Cc1c(OC(=O)/C=C/c2ccc(C(C)C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389237 571471680 /nfs/dbraw/zinc/47/16/80/571471680.db2.gz BRBMUIXTTJTTSQ-GIJQJNRQSA-N 0 3 670.168 10.114 50 0 KKAAHN COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150389206 571471706 /nfs/dbraw/zinc/47/17/06/571471706.db2.gz TZTAIFVSBUCUEN-GZTJUZNOSA-N 0 3 651.722 8.962 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150457388 571504874 /nfs/dbraw/zinc/50/48/74/571504874.db2.gz QBRYVBBYJJPODK-NHKHRBQYSA-N 0 3 664.350 6.850 50 0 KKAAHN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)[C@H](C)N(c4ccccc4)C3=O)c2)c(C(C)(C)CC)c1 ZINC000150483858 571514616 /nfs/dbraw/zinc/51/46/16/571514616.db2.gz GXNLGABIANNWMM-WMELESEDSA-N 0 3 759.388 9.293 50 0 KKAAHN CN(C)CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)N1CC2=C(C1=O)[C@@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2C ZINC000150522465 571520155 /nfs/dbraw/zinc/52/01/55/571520155.db2.gz TZBJSKJBOIGZBE-MSEJLTFDSA-N 0 3 643.788 5.473 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150602762 571522636 /nfs/dbraw/zinc/52/26/36/571522636.db2.gz VGBLLXYHSNXODN-JJQXXVEZSA-N 0 3 665.854 6.714 50 0 KKAAHN O[C@H](CC1c2ccccc2-c2ccccc21)CN1CCN(C[C@H](O)C[C@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000150631406 571524125 /nfs/dbraw/zinc/52/41/25/571524125.db2.gz NFKZAYGAZSLISU-ACHOWJBZSA-N 0 3 767.400 8.019 50 0 KKAAHN O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000158987911 571529941 /nfs/dbraw/zinc/52/99/41/571529941.db2.gz NSLBTBGUFUPTCR-IZZNHLLZSA-N 0 3 759.370 7.774 50 0 KKAAHN O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@@H]12 ZINC000169677730 571555222 /nfs/dbraw/zinc/55/52/22/571555222.db2.gz GEDCOQQPMHRGRC-SQHAQQRYSA-N 0 3 511.563 5.067 50 0 KKAAHN COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(CCc4ccccc4)C[C@@H]23)c1 ZINC000169679070 571556305 /nfs/dbraw/zinc/55/63/05/571556305.db2.gz YAFRJORLWKGUDR-VPUSJEBWSA-N 0 3 509.572 5.258 50 0 KKAAHN Cc1ccccc1[C@@H]1c2ccsc2CCN1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000169681614 571557480 /nfs/dbraw/zinc/55/74/80/571557480.db2.gz ZRLFWKYXLLYDCH-RBTNQOKQSA-N 0 3 522.114 5.421 50 0 KKAAHN COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c1 ZINC000169695572 571558780 /nfs/dbraw/zinc/55/87/80/571558780.db2.gz AENSTMZWOKUDJL-RJGXRXQPSA-N 0 3 605.272 5.033 50 0 KKAAHN COc1ccc(OC)c([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)c1 ZINC000169695572 571558782 /nfs/dbraw/zinc/55/87/82/571558782.db2.gz AENSTMZWOKUDJL-RJGXRXQPSA-N 0 3 605.272 5.033 50 0 KKAAHN COc1cccc(CN2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)Nc3cccc(C)c3)C2)c1OC ZINC000299764756 572135634 /nfs/dbraw/zinc/13/56/34/572135634.db2.gz DSFKMEMAHPHFQJ-FREGXXQWSA-N 0 3 574.741 5.583 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226821073 572142466 /nfs/dbraw/zinc/14/24/66/572142466.db2.gz LKDPKYSTNRLRGA-ZGIBFIJWSA-N 0 3 508.574 5.688 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226821170 572142699 /nfs/dbraw/zinc/14/26/99/572142699.db2.gz YOUZGMQPDKYUSK-ZGIBFIJWSA-N 0 3 530.621 5.714 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000226832006 572142817 /nfs/dbraw/zinc/14/28/17/572142817.db2.gz LMJKUQKVRQKBDU-ZONZVBGPSA-N 0 3 542.950 5.749 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000226893104 572144493 /nfs/dbraw/zinc/14/44/93/572144493.db2.gz UZAVEVBWGKVKHW-AOFBEVEVSA-N 0 3 544.582 5.690 50 0 KKAAHN COc1ccc(C(=O)[C@@H]2C(C(=O)c3ccccc3F)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000226893104 572144497 /nfs/dbraw/zinc/14/44/97/572144497.db2.gz UZAVEVBWGKVKHW-AOFBEVEVSA-N 0 3 544.582 5.690 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000226922284 572145227 /nfs/dbraw/zinc/14/52/27/572145227.db2.gz WTVFNLGSSLDTBR-CILKRHGOSA-N 0 3 514.556 5.682 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913365 572145487 /nfs/dbraw/zinc/14/54/87/572145487.db2.gz UUSRNNSJYSJHQE-DCMQHHMNSA-N 0 3 544.676 6.611 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226931832 572145961 /nfs/dbraw/zinc/14/59/61/572145961.db2.gz FGYBWTFVCYLGRF-ZONZVBGPSA-N 0 3 524.960 5.610 50 0 KKAAHN O=c1sc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226983113 572146652 /nfs/dbraw/zinc/14/66/52/572146652.db2.gz HYVPREUZPFQWON-PWRODBHTSA-N 0 3 582.863 5.366 50 0 KKAAHN O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226989632 572146940 /nfs/dbraw/zinc/14/69/40/572146940.db2.gz JBLXWAXDZJLTKI-NJDAHSKKSA-N 0 3 538.412 5.257 50 0 KKAAHN O=c1sc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)c(Cl)n1-c1ccccc1 ZINC000226989632 572146943 /nfs/dbraw/zinc/14/69/43/572146943.db2.gz JBLXWAXDZJLTKI-NJDAHSKKSA-N 0 3 538.412 5.257 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@@H]2C1=O ZINC000227084380 572149687 /nfs/dbraw/zinc/14/96/87/572149687.db2.gz LRQBUERZYYWJBX-HZFUHODCSA-N 0 3 575.042 5.467 50 0 KKAAHN O=C(c1cccs1)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000227085575 572149752 /nfs/dbraw/zinc/14/97/52/572149752.db2.gz OQXIXKSPTORELV-ALBQUZEBSA-N 0 3 571.485 6.911 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227236656 572151691 /nfs/dbraw/zinc/15/16/91/572151691.db2.gz XDHCAZPPMAKEJD-ZXFZPVEDSA-N 0 3 574.608 5.699 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(F)(F)F)cc4)[C@@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000229891617 572165696 /nfs/dbraw/zinc/16/56/96/572165696.db2.gz KROIFPPGQFBDDD-TYKYNWMQSA-N 0 3 628.669 6.635 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(-c5ccc(Br)cc5)o4)[C@@H]3C2=O)cc1 ZINC000229933210 572171151 /nfs/dbraw/zinc/17/11/51/572171151.db2.gz JLVJUJUWUPBZTE-UPRLRBBYSA-N 0 3 573.443 6.549 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000229934387 572171157 /nfs/dbraw/zinc/17/11/57/572171157.db2.gz IZYUSRPEZVHJJA-ZGIBFIJWSA-N 0 3 555.417 7.458 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000229967985 572174429 /nfs/dbraw/zinc/17/44/29/572174429.db2.gz FDCZYOXXXBUMBF-PWRODBHTSA-N 0 3 531.417 5.509 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3cccs3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000229967276 572174810 /nfs/dbraw/zinc/17/48/10/572174810.db2.gz UUSRNNSJYSJHQE-YUAOJYLXSA-N 0 3 544.676 6.611 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4ccc(OC)cc4OC)[C@@H]3C1=O)CCCC2 ZINC000229968719 572175493 /nfs/dbraw/zinc/17/54/93/572175493.db2.gz RFRBKAHNUSAJDB-ISJGIBHGSA-N 0 3 583.062 5.135 50 0 KKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000229975862 572175848 /nfs/dbraw/zinc/17/58/48/572175848.db2.gz WCOFXYXKDHFUEJ-PWRODBHTSA-N 0 3 518.194 5.807 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000229975862 572175851 /nfs/dbraw/zinc/17/58/51/572175851.db2.gz WCOFXYXKDHFUEJ-PWRODBHTSA-N 0 3 518.194 5.807 50 0 KKAAHN Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 ZINC000230020742 572179098 /nfs/dbraw/zinc/17/90/98/572179098.db2.gz XVOPXTZPMAYANC-UPRLRBBYSA-N 0 3 504.542 5.265 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)c1 ZINC000230020742 572179102 /nfs/dbraw/zinc/17/91/02/572179102.db2.gz XVOPXTZPMAYANC-UPRLRBBYSA-N 0 3 504.542 5.265 50 0 KKAAHN CN(C)[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1cccc(C(F)(F)F)c1 ZINC000238899394 572188945 /nfs/dbraw/zinc/18/89/45/572188945.db2.gz GFOXWFGNFKAEBK-QFIPXVFZSA-N 0 3 503.528 6.685 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000238950691 572189968 /nfs/dbraw/zinc/18/99/68/572189968.db2.gz ZIJMFWKGPORGGN-YPAWHYETSA-N 0 3 510.999 5.164 50 0 KKAAHN COc1ccc([C@H](C)N(C[C@@H](O)CO[C@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000245224678 572202400 /nfs/dbraw/zinc/20/24/00/572202400.db2.gz BGILIDOZSPNEAV-JAYNAORVSA-N 0 3 577.737 6.108 50 0 KKAAHN O=C(c1ccccc1Cl)C1[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245240457 572214147 /nfs/dbraw/zinc/21/41/47/572214147.db2.gz TZKKNIYAEZJSNX-BYBRNZAOSA-N 0 3 537.040 6.258 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245240487 572214181 /nfs/dbraw/zinc/21/41/81/572214181.db2.gz WTVFNLGSSLDTBR-YGGCMVMVSA-N 0 3 514.556 5.682 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(C(=O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245246076 572218600 /nfs/dbraw/zinc/21/86/00/572218600.db2.gz HEWPIHIHNPBOJG-CKXMCULTSA-N 0 3 585.512 7.301 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC(=O)c5ccc(F)cc5)c(OC)c4)[C@H]3C2=O)cc1 ZINC000245246061 572218767 /nfs/dbraw/zinc/21/87/67/572218767.db2.gz GWKJFVPKSTWKQX-DYIKCSJPSA-N 0 3 582.584 5.503 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3sc(=O)n(-c4ccccc4)c3Cl)[C@H]2C1=O ZINC000245246805 572219923 /nfs/dbraw/zinc/21/99/23/572219923.db2.gz ONBXBWJKOBDODI-YPAWHYETSA-N 0 3 552.439 5.565 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccc(SC)cc4)[C@H]3C1=O)C[C@H](C(C)(C)C)CC2 ZINC000245246852 572220279 /nfs/dbraw/zinc/22/02/79/572220279.db2.gz PTDBYXRJBFKEMT-CEWWTIOHSA-N 0 3 590.767 6.459 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@H]3C2=O)cc1 ZINC000245247515 572220908 /nfs/dbraw/zinc/22/09/08/572220908.db2.gz UJKPEIUPKIPDQJ-JFHPUIQFSA-N 0 3 562.622 6.136 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245309106 572227099 /nfs/dbraw/zinc/22/70/99/572227099.db2.gz BCEGFARFUFCHIC-AOFBEVEVSA-N 0 3 528.583 5.990 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245309070 572227107 /nfs/dbraw/zinc/22/71/07/572227107.db2.gz AMHLAVZLNYUKGP-NXNJFABFSA-N 0 3 537.830 6.209 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C1=O)C[C@@H](C(C)(C)C)CC2 ZINC000245310062 572228189 /nfs/dbraw/zinc/22/81/89/572228189.db2.gz GYFODTYWKZNASI-HCRCJJAXSA-N 0 3 544.673 5.737 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000245310666 572228639 /nfs/dbraw/zinc/22/86/39/572228639.db2.gz JNONEFZBHJQXSE-OGQOOFKISA-N 0 3 519.000 6.055 50 0 KKAAHN CCCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(=O)OC)cc4)[C@H]3C2=O)cc1 ZINC000245325656 572231907 /nfs/dbraw/zinc/23/19/07/572231907.db2.gz GWRWWWDNIQLMGE-ZONZVBGPSA-N 0 3 514.578 5.093 50 0 KKAAHN Cc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)o1 ZINC000245329985 572236148 /nfs/dbraw/zinc/23/61/48/572236148.db2.gz WHJKGIFSNRYXGY-LSYYVWMOSA-N 0 3 512.616 6.929 50 0 KKAAHN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247874543 572247557 /nfs/dbraw/zinc/24/75/57/572247557.db2.gz SKAMYPCUDVRBKN-SSEXGKCCSA-N 0 3 648.649 6.934 50 0 KKAAHN CC(C)N(C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247974597 572251197 /nfs/dbraw/zinc/25/11/97/572251197.db2.gz FIKKHZGZLLGDJB-HOFKKMOUSA-N 0 3 533.009 7.264 50 0 KKAAHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000248156204 572255933 /nfs/dbraw/zinc/25/59/33/572255933.db2.gz IOJSFOKYYCHIOW-VRGUBSQPSA-N 0 3 656.864 7.531 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccsc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248210357 572256662 /nfs/dbraw/zinc/25/66/62/572256662.db2.gz CWSPZNYWOHJHMV-OZXSUGGESA-N 0 3 518.620 6.920 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccn1)[C@@]21C(=O)Nc2ccccc21 ZINC000248330037 572258141 /nfs/dbraw/zinc/25/81/41/572258141.db2.gz FENAJJSBOYTMHK-CILKRHGOSA-N 0 3 511.581 5.328 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccn1)[C@]21c2ccccc2NC1=O ZINC000248330037 572258142 /nfs/dbraw/zinc/25/81/42/572258142.db2.gz FENAJJSBOYTMHK-CILKRHGOSA-N 0 3 511.581 5.328 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C([O-])c1ccccn1)[C@]21C(=O)Nc2ccccc21 ZINC000248330034 572258182 /nfs/dbraw/zinc/25/81/82/572258182.db2.gz FENAJJSBOYTMHK-AGKKXDHOSA-N 0 3 511.581 5.328 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccn1)[C@@]21c2ccccc2NC1=O ZINC000248330034 572258183 /nfs/dbraw/zinc/25/81/83/572258183.db2.gz FENAJJSBOYTMHK-AGKKXDHOSA-N 0 3 511.581 5.328 50 0 KKAAHN Cc1noc(C)c1C(=O)N1CCC(N2CCC(N(C(=O)C3CCCCC3)c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252496564 572261739 /nfs/dbraw/zinc/26/17/39/572261739.db2.gz PLOJSUPHUQYDFO-UHFFFAOYSA-N 0 3 561.649 5.388 50 0 KKAAHN COc1ccc([C@](O)([C@@H](CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734251 1069838146 /nfs/dbraw/zinc/83/81/46/1069838146.db2.gz NCHYNYKOJPQQIY-QARUCVQPSA-N 0 3 609.254 8.308 50 0 KKAAHN COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)c(OC)c1OC ZINC000102020665 1069840411 /nfs/dbraw/zinc/84/04/11/1069840411.db2.gz NTJCENNQVAJCFU-MUUNZHRXSA-N 0 3 583.729 6.356 50 0 KKAAHN COc1cc2cc(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000102694467 1069862192 /nfs/dbraw/zinc/86/21/92/1069862192.db2.gz DVUNACRFCSGLJY-UHFFFAOYSA-N 0 3 566.620 5.878 50 0 KKAAHN Cc1ccsc1C(=O)N1CCCC[C@H]1CCOc1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC000012037577 1071234534 /nfs/dbraw/zinc/23/45/34/1071234534.db2.gz NDAZPQIMUQCNNS-MHZLTWQESA-N 0 3 513.707 6.701 50 0 KKAAHN Cc1ccc(-c2nc3nc(-c4ccccc4)oc3c(NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)n2)cc1 ZINC000825182598 1071286604 /nfs/dbraw/zinc/28/66/04/1071286604.db2.gz BSBTVVMZLJTADX-AREMUKBSSA-N 0 3 524.068 7.553 50 0 KKAAHN Cc1nc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN(C)Cc3cccc4cccnc43)c2)cs1 ZINC000014990418 1072894497 /nfs/dbraw/zinc/89/44/97/1072894497.db2.gz RLBMLHWQAYNIRC-SANMLTNESA-N 0 3 514.695 6.096 50 0 KKAAHN C[C@@H]1CC[C@@H](c2ccoc2)N2[C@@H]1CC[C@@]1(CS[C@]3(C1)CC[C@H]1[C@H](C)CC[C@@H](c4ccoc4)N1[C@@H]3O)[C@@H]2O ZINC001501058421 1072922456 /nfs/dbraw/zinc/92/24/56/1072922456.db2.gz DYEOLAMWQVWASS-DFXIFZGQSA-N 0 3 526.743 5.943 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(Cc2ccccc2)CC1 ZINC000000626554 551503967 /nfs/dbraw/zinc/50/39/67/551503967.db2.gz MUTYIBZJFUUPAA-JOCHJYFZSA-N 0 3 557.330 5.498 50 0 KKAAHN Cc1ccc(NC(=O)N(CCN2CCCC2)CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)cc1C ZINC000000696536 551528267 /nfs/dbraw/zinc/52/82/67/551528267.db2.gz OMJKCULCTJFPIZ-UHFFFAOYSA-N 0 3 522.690 5.663 50 0 KKAAHN O=C(c1ccc(Cl)cc1Cl)C1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000001278326 551636048 /nfs/dbraw/zinc/63/60/48/551636048.db2.gz DRKWHMYCGUOUMF-ZGZOUGAKSA-N 0 3 552.845 5.661 50 0 KKAAHN COc1ccc([C@@H]2CC(=O)[C@H]([C@@H]3NCCc4ccccc43)C(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001404095 551661258 /nfs/dbraw/zinc/66/12/58/551661258.db2.gz ZQUBRKJSKNTGGQ-BPUWIUIQSA-N 0 3 528.958 5.675 50 0 KKAAHN O=S(=O)(c1ccccc1)N(C[C@H](O)CN(Cc1ccccc1)Cc1ccccc1)c1cccc2ccccc21 ZINC000001781247 551698375 /nfs/dbraw/zinc/69/83/75/551698375.db2.gz WADUASDYGFYHCL-SSEXGKCCSA-N 0 3 536.697 6.098 50 0 KKAAHN Cc1ccc(N(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001834449 551712085 /nfs/dbraw/zinc/71/20/85/551712085.db2.gz IKCFXCYNCXZCAW-GDLZYMKVSA-N 0 3 500.664 5.254 50 0 KKAAHN COc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1COc1cccc(C)c1C ZINC000001836026 551712444 /nfs/dbraw/zinc/71/24/44/551712444.db2.gz JUWWVQCOIOMOGR-XIFFEERXSA-N 0 3 518.657 7.186 50 0 biogenic KKAAHN COc1ccccc1C(=O)Nc1c(Br)cc(Br)cc1CN(C)C1CCCCC1 ZINC000002088295 551757967 /nfs/dbraw/zinc/75/79/67/551757967.db2.gz VPDXOYCWTCYASS-UHFFFAOYSA-N 0 3 510.270 6.237 50 0 KKAAHN CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCN(Cc5ccccc5)CC4)CC(=O)N23)cc1 ZINC000002093863 551760159 /nfs/dbraw/zinc/76/01/59/551760159.db2.gz KHVNMXCEWAZZBH-AFPLUKJUSA-N 0 3 546.715 5.641 50 0 biogenic KKAAHN O=C1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](CCc3ccccc3)N12 ZINC000002095371 551761249 /nfs/dbraw/zinc/76/12/49/551761249.db2.gz YQDSLHNSWXPUOW-ACHIHNKUSA-N 0 3 546.715 5.350 50 0 biogenic KKAAHN OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000002193221 551791352 /nfs/dbraw/zinc/79/13/52/551791352.db2.gz ZEHAEZWSKQHRID-AREMUKBSSA-N 0 3 568.488 7.708 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000002233575 552082411 /nfs/dbraw/zinc/08/24/11/552082411.db2.gz KQNQGMTYKQPGDF-XPWALMASSA-N 0 3 534.797 5.702 50 0 KKAAHN Clc1ccc(Cn2ncc3c2ncnc3N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000002340646 552098098 /nfs/dbraw/zinc/09/80/98/552098098.db2.gz CUUCLGNXMRCZHT-UHFFFAOYSA-N 0 3 529.475 6.093 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000002400110 552111214 /nfs/dbraw/zinc/11/12/14/552111214.db2.gz JSGQRPYSFKALDC-YPKYBTACSA-N 0 3 536.628 6.469 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002401515 552111495 /nfs/dbraw/zinc/11/14/95/552111495.db2.gz JPHYZFCYTPLGCN-VJGNERBWSA-N 0 3 524.960 5.610 50 0 KKAAHN O=C(c1cccc(Br)c1)N1N[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21 ZINC000002959940 552233417 /nfs/dbraw/zinc/23/34/17/552233417.db2.gz FULGUTCIYVSNFL-HKBOAZHASA-N 0 3 579.665 5.669 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000002968223 552239460 /nfs/dbraw/zinc/23/94/60/552239460.db2.gz BEQKOZONJSIBKG-FTJBHMTQSA-N 0 3 553.688 5.065 50 0 KKAAHN CCc1ccc(NC(=O)[C@@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000002968218 552239516 /nfs/dbraw/zinc/23/95/16/552239516.db2.gz BEQKOZONJSIBKG-IZZNHLLZSA-N 0 3 553.688 5.065 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000002968219 552239538 /nfs/dbraw/zinc/23/95/38/552239538.db2.gz BEQKOZONJSIBKG-UIOOFZCWSA-N 0 3 553.688 5.065 50 0 KKAAHN CC[C@H](SC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N21)C(=O)Nc1ccc(Cl)cc1 ZINC000002968267 552239801 /nfs/dbraw/zinc/23/98/01/552239801.db2.gz HVSPWGNSWPQGPT-RPWUZVMVSA-N 0 3 560.079 5.156 50 0 KKAAHN O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccc(F)cc1 ZINC000002968339 552240213 /nfs/dbraw/zinc/24/02/13/552240213.db2.gz VMFWLJBMCJGRIQ-JOCHJYFZSA-N 0 3 506.990 5.078 50 0 KKAAHN CCN(CC)CCn1c2nc(SCc3ccccc3C)n(-c3ccccc3OC)c(=O)c2sc1=S ZINC000003034081 552268585 /nfs/dbraw/zinc/26/85/85/552268585.db2.gz YHUIPKFTARGIFK-UHFFFAOYSA-N 0 3 526.753 5.929 50 0 KKAAHN CN(CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054693 552279839 /nfs/dbraw/zinc/27/98/39/552279839.db2.gz YZYBCAYFXYUGAB-KOEQRZSOSA-N 0 3 536.495 5.177 50 0 KKAAHN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCCCCC4)cc3)C2=O)c1 ZINC000003061296 552282111 /nfs/dbraw/zinc/28/21/11/552282111.db2.gz RVEFLANNGIWPOW-JBASAIQMSA-N 0 3 525.718 6.281 50 0 KKAAHN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CNCCSc2ccc(Br)cc2)cc1 ZINC000003355901 552369071 /nfs/dbraw/zinc/36/90/71/552369071.db2.gz DNQSXGRFIYQFFM-HSZRJFAPSA-N 0 3 500.502 5.897 50 0 KKAAHN COc1ccc(NC(=O)COc2ccc([C@@H]3NC[C@@H](c4ccccc4)c4c5ccccc5[nH]c43)cc2OC)cc1Cl ZINC000003410213 552381905 /nfs/dbraw/zinc/38/19/05/552381905.db2.gz DQJZKQXBCINRDZ-BNHRFMORSA-N 0 3 568.073 6.681 50 0 KKAAHN COc1ccc(Nc2c3cc(NC(=O)/C=C/c4ccccc4Cl)ccc3nc3c2CCCC3)cc1OC ZINC000003646068 552401574 /nfs/dbraw/zinc/40/15/74/552401574.db2.gz HTSWDWVLTYKABZ-LFIBNONCSA-N 0 3 514.025 7.180 50 0 KKAAHN CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000004489049 552461824 /nfs/dbraw/zinc/46/18/24/552461824.db2.gz WFVVMUOCJWVLFU-GDYKHXCGSA-N 0 3 597.759 6.665 50 0 KKAAHN c1ccc([C@H]2CC(c3ccc(C4=NN(c5ccccc5)[C@@H](c5ccccc5)C4)cc3)=NN2c2ccccc2)cc1 ZINC000005395778 552500909 /nfs/dbraw/zinc/50/09/09/552500909.db2.gz HUDFQTTYMSMMGU-LQFQNGICSA-N 0 3 518.664 8.398 50 0 KKAAHN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000006166804 552556986 /nfs/dbraw/zinc/55/69/86/552556986.db2.gz VOEGSCNMFMMFSJ-UHFFFAOYSA-N 0 3 613.648 8.693 50 0 KKAAHN Clc1ccc(N=C(NCCCNC(=Nc2ccc(Cl)cc2)C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000008427157 553019578 /nfs/dbraw/zinc/01/95/78/553019578.db2.gz DLRVIONCADASLN-UHFFFAOYSA-N 0 3 681.711 10.921 50 0 KKAAHN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3n2)s1 ZINC000008455444 553072582 /nfs/dbraw/zinc/07/25/82/553072582.db2.gz XBEKRSJHCSSLLH-UHFFFAOYSA-N 0 3 513.589 5.433 50 0 KKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cnn(-c4ccc(C)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000008597109 553091861 /nfs/dbraw/zinc/09/18/61/553091861.db2.gz GNKRILAVIKCVRL-UHFFFAOYSA-N 0 3 585.793 6.246 50 0 KKAAHN Cc1ccc(-n2ncc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008619123 553102917 /nfs/dbraw/zinc/10/29/17/553102917.db2.gz UHPAWJYFOVTCEJ-UHFFFAOYSA-N 0 3 585.793 5.980 50 0 KKAAHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000008763380 553137834 /nfs/dbraw/zinc/13/78/34/553137834.db2.gz WDSMVGBNMQDOOZ-LJAQVGFWSA-N 0 3 514.691 7.263 50 0 KKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008836253 553162811 /nfs/dbraw/zinc/16/28/11/553162811.db2.gz WTSCZGUKFYBRBM-NRFANRHFSA-N 0 3 519.281 5.957 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009272263 553231448 /nfs/dbraw/zinc/23/14/48/553231448.db2.gz OMIHDSULDICLNE-OAQYLSRUSA-N 0 3 509.275 6.500 50 0 KKAAHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2cc(OC)c(OC)cc2OC)Nc2ccccc2S3)cc1 ZINC000009291120 553234617 /nfs/dbraw/zinc/23/46/17/553234617.db2.gz FWYQXGXFJLDYGS-VWLOTQADSA-N 0 3 502.592 5.361 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009360858 553248671 /nfs/dbraw/zinc/24/86/71/553248671.db2.gz HOBRZDUCKCYXAT-HHHXNRCGSA-N 0 3 516.483 6.860 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN(Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009433319 553263076 /nfs/dbraw/zinc/26/30/76/553263076.db2.gz NQXXNRNWPQCWOE-FQLXRVMXSA-N 0 3 533.738 6.229 50 0 KKAAHN O=C(NCCN(Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433691 553263316 /nfs/dbraw/zinc/26/33/16/553263316.db2.gz HPUUZLKCBMJUKJ-VMPREFPWSA-N 0 3 531.722 6.125 50 0 KKAAHN CCN1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(-c5ccc(F)cc5)c(C)nn4c3C)cc2)CC1 ZINC000009609446 553287891 /nfs/dbraw/zinc/28/78/91/553287891.db2.gz OOFHPAUWHARUQQ-UHFFFAOYSA-N 0 3 514.649 5.174 50 0 KKAAHN Cc1noc(C)c1CC(=O)N1CCCC[C@H]1CCOc1cccc(CN(C)Cc2cccc3cccnc32)c1 ZINC000011788595 553343076 /nfs/dbraw/zinc/34/30/76/553343076.db2.gz HOTBZHYHGFCUBJ-NDEPHWFRSA-N 0 3 526.681 5.864 50 0 KKAAHN Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)NCc2ccccc2Cl)CC1 ZINC000011841012 553343485 /nfs/dbraw/zinc/34/34/85/553343485.db2.gz GVLPYJHETSVKCE-UHFFFAOYSA-N 0 3 530.072 5.210 50 0 KKAAHN COc1cc(CNC(=O)COc2ccc(-c3csc4ccccc43)cc2CN2CCCC2)cc(OC)c1OC ZINC000012200616 553354079 /nfs/dbraw/zinc/35/40/79/553354079.db2.gz DBPSEROHLLYLQZ-UHFFFAOYSA-N 0 3 546.689 5.885 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013770296 553489428 /nfs/dbraw/zinc/48/94/28/553489428.db2.gz WKXZDSIZVUCERD-UBFVSLLYSA-N 0 3 505.357 6.305 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000013786784 553490865 /nfs/dbraw/zinc/49/08/65/553490865.db2.gz BDMBIHLTYMNYJJ-QHAWAJNXSA-N 0 3 508.188 6.351 50 0 KKAAHN Cc1cccc(-c2nc3c(C)cccc3cc2CN(CCN(C)C)C(=O)c2cc3c([nH]c2=O)CCCC3)c1 ZINC000015005737 553525109 /nfs/dbraw/zinc/52/51/09/553525109.db2.gz JUESNYZNGSKWOS-UHFFFAOYSA-N 0 3 508.666 5.290 50 0 KKAAHN Cc1ccc(NC(=O)c2c(NC(=O)CNCCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000015946074 553544406 /nfs/dbraw/zinc/54/44/06/553544406.db2.gz CYMYDNYYVCRHQS-HSZRJFAPSA-N 0 3 517.739 6.539 50 0 KKAAHN CC(=O)[C@@H]1C(C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000016000203 553549685 /nfs/dbraw/zinc/54/96/85/553549685.db2.gz RXRRNGSZPYTQOJ-XVOBZGQLSA-N 0 3 503.385 5.556 50 0 KKAAHN CCOC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2n1CCN(Cc1ccccc1)Cc1ccccc1 ZINC000068705072 553593178 /nfs/dbraw/zinc/59/31/78/553593178.db2.gz QOCQTMXCADLDNP-UHFFFAOYSA-N 0 3 518.657 7.196 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)C3ON2c2ccccc2)cc1Br ZINC000017723784 553599293 /nfs/dbraw/zinc/59/92/93/553599293.db2.gz VOGICXLSCLNYCX-SMIHKQSGSA-N 0 3 507.384 5.126 50 0 KKAAHN O=C(Nc1ccccc1)C1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000070672742 553602757 /nfs/dbraw/zinc/60/27/57/553602757.db2.gz VPSLASCOTOGLRD-VGBJTSDXSA-N 0 3 511.581 5.299 50 0 biogenic KKAAHN O=C(NCCN1CCCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000020179534 553603494 /nfs/dbraw/zinc/60/34/94/553603494.db2.gz XJKWNZDYYQBFCD-DIBXZPPDSA-N 0 3 501.627 5.331 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018101412 553604457 /nfs/dbraw/zinc/60/44/57/553604457.db2.gz ACMGXGJEOXNCQB-VJGNERBWSA-N 0 3 521.013 5.969 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000018130410 553605732 /nfs/dbraw/zinc/60/57/32/553605732.db2.gz DKJWBJSUKOFCSM-PFBJBMPXSA-N 0 3 521.013 5.969 50 0 KKAAHN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc5c(c4)c4ccccc4n5CC)CC3)ccc21 ZINC000019369883 553614048 /nfs/dbraw/zinc/61/40/48/553614048.db2.gz AXQZCUAUOXOVRF-UHFFFAOYSA-N 0 3 500.690 7.260 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000019731562 553615723 /nfs/dbraw/zinc/61/57/23/553615723.db2.gz QRXDXGBZUDUCJL-WJOKGBTCSA-N 0 3 515.701 6.462 50 0 KKAAHN CCN(CC)c1nc2c(cnn2-c2ccccc2)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019938688 553637738 /nfs/dbraw/zinc/63/77/38/553637738.db2.gz MUWCKCBJURZGFZ-UHFFFAOYSA-N 0 3 517.681 5.573 50 0 KKAAHN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1Cc3ccccc3CN1[C@@H]2c1ccc(Br)cc1 ZINC000020326662 553638840 /nfs/dbraw/zinc/63/88/40/553638840.db2.gz ZERLQXGGLHJKQZ-MOUTVQLLSA-N 0 3 507.815 5.390 50 0 KKAAHN CC1=C2C[C@@H]3[C@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412778 553647117 /nfs/dbraw/zinc/64/71/17/553647117.db2.gz IBCOGKCITUYAKE-QDJWJZQCSA-N 0 3 519.129 6.505 50 0 biogenic KKAAHN C[C@H](CCC(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000079188261 553666627 /nfs/dbraw/zinc/66/66/27/553666627.db2.gz BBUYYEWFMUTOCX-XHQCMKAISA-N 0 3 580.854 5.145 50 0 biogenic KKAAHN CC(=O)Nc1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)ccc1Sc1ccc(C)cc1 ZINC000020685618 553688496 /nfs/dbraw/zinc/68/84/96/553688496.db2.gz YVHHVFVFNPWZOS-UHFFFAOYSA-N 0 3 516.711 5.042 50 0 KKAAHN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000020864727 553700808 /nfs/dbraw/zinc/70/08/08/553700808.db2.gz YXZXGZUIGAEWEU-UHFFFAOYSA-N 0 3 518.658 5.141 50 0 KKAAHN CCOc1ccc(C(=O)[C@H](CCCC[C@@H](CN2CCCCC2)C(=O)c2ccc(OCC)cc2)CN2CCCCC2)cc1 ZINC000095740269 553711638 /nfs/dbraw/zinc/71/16/38/553711638.db2.gz UYHDWGIIEJMIPY-MEKGRNQZSA-N 0 3 576.822 7.314 50 0 KKAAHN O[C@H](Cn1c2ccccc2c2ccccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000022795961 553750846 /nfs/dbraw/zinc/75/08/46/553750846.db2.gz JSINNAXMFTZUHV-UIOOFZCWSA-N 0 3 601.578 6.249 50 0 KKAAHN O[C@H](COc1ccccc1)CN(CCN(C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000097940054 553763561 /nfs/dbraw/zinc/76/35/61/553763561.db2.gz BMNASIGFPCNXFN-COCZKOEFSA-N 0 3 692.900 8.049 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000097953122 553819492 /nfs/dbraw/zinc/81/94/92/553819492.db2.gz KQNQGMTYKQPGDF-DNVJHFABSA-N 0 3 534.797 5.702 50 0 KKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000097956242 553836972 /nfs/dbraw/zinc/83/69/72/553836972.db2.gz SGDVRVNYSAPEBY-KRWDZBQOSA-N 0 3 525.310 6.017 50 0 KKAAHN COc1ccccc1OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccc(Cl)cc1)C3c1ccco1 ZINC000097956728 553841103 /nfs/dbraw/zinc/84/11/03/553841103.db2.gz KLHDQEIMKGMNER-XMMPIXPASA-N 0 3 540.967 5.738 50 0 KKAAHN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)cc1 ZINC000097963593 553892040 /nfs/dbraw/zinc/89/20/40/553892040.db2.gz AWTAQFSEGFYDNL-UHFFFAOYSA-N 0 3 549.759 5.147 50 0 KKAAHN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2c1CC(C)(C)NC2(C)C ZINC000097963607 553892495 /nfs/dbraw/zinc/89/24/95/553892495.db2.gz PUDQKBLLJKLTIQ-UHFFFAOYSA-N 0 3 581.760 5.084 50 0 KKAAHN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000033354940 553932228 /nfs/dbraw/zinc/93/22/28/553932228.db2.gz WDJNIEADSJLIEA-KFCNMZSLSA-N 0 3 548.053 5.923 50 0 KKAAHN COc1cc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669907 553982168 /nfs/dbraw/zinc/98/21/68/553982168.db2.gz GQFCRXRYAJLBCZ-YIXXDRMTSA-N 0 3 512.572 5.992 50 0 KKAAHN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1)NCCN1CCCC1 ZINC000034679886 553984322 /nfs/dbraw/zinc/98/43/22/553984322.db2.gz DXUCIHZOZNNJII-UHFFFAOYSA-N 0 3 510.465 5.595 50 0 KKAAHN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1)NCCN1CCCCC1 ZINC000034680016 553984349 /nfs/dbraw/zinc/98/43/49/553984349.db2.gz FBIWDHJQKLNHOZ-UHFFFAOYSA-N 0 3 508.037 5.471 50 0 KKAAHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](CN2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697682 553991047 /nfs/dbraw/zinc/99/10/47/553991047.db2.gz BFUDEVFTBRJZIS-WNCULLNHSA-N 0 3 511.563 5.523 50 0 KKAAHN COc1cccc(N2CCN(C[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034698099 553991234 /nfs/dbraw/zinc/99/12/34/553991234.db2.gz YBQYUFAOVUFATD-UFHPHHKVSA-N 0 3 523.599 5.392 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698857 553991803 /nfs/dbraw/zinc/99/18/03/553991803.db2.gz UMDXQFSJIDKGJV-OFSOJUDTSA-N 0 3 501.114 7.339 50 0 KKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699141 553992404 /nfs/dbraw/zinc/99/24/04/553992404.db2.gz WHJKGIFSNRYXGY-LEAFIULHSA-N 0 3 512.616 6.929 50 0 KKAAHN COc1ccccc1CN1C[C@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034699147 553992437 /nfs/dbraw/zinc/99/24/37/553992437.db2.gz WBRNZEMHVSKXTL-SHQCIBLASA-N 0 3 528.590 6.620 50 0 KKAAHN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1 ZINC000034716589 553995647 /nfs/dbraw/zinc/99/56/47/553995647.db2.gz GLMDYCBUKYPIDM-VXKWHMMOSA-N 0 3 504.955 6.420 50 0 KKAAHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000034725164 553996807 /nfs/dbraw/zinc/99/68/07/553996807.db2.gz GBXZLQRGGMQKMJ-UHFFFAOYSA-N 0 3 534.104 5.659 50 0 KKAAHN CC[C@H](C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830208 554014862 /nfs/dbraw/zinc/01/48/62/554014862.db2.gz KJVJFTYMPTXSBF-QCDSWUKFSA-N 0 3 515.723 5.259 50 0 KKAAHN Cc1ccccc1[C@H]1c2ccsc2CCN1CCC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830235 554014884 /nfs/dbraw/zinc/01/48/84/554014884.db2.gz CBVRTSPIBICAQR-PMERELPUSA-N 0 3 507.744 5.425 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833738 554018286 /nfs/dbraw/zinc/01/82/86/554018286.db2.gz MFWMAXPGYIGJBN-UHFFFAOYSA-N 0 3 522.052 6.111 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn2c(n1)CC[C@H](c1ccc(Oc3ccccc3)cc1)C2 ZINC000034898949 554023884 /nfs/dbraw/zinc/02/38/84/554023884.db2.gz FZAQUBVCPCGPHX-SANMLTNESA-N 0 3 506.650 5.800 50 0 KKAAHN O=C(CN(CCN1CCCC1)C(=O)Nc1cccc(Cl)c1)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000035085808 554034461 /nfs/dbraw/zinc/03/44/61/554034461.db2.gz AQVUKNJROHSXOB-UHFFFAOYSA-N 0 3 529.081 5.699 50 0 KKAAHN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5Br)nc4c32)cc1 ZINC000098000233 554049626 /nfs/dbraw/zinc/04/96/26/554049626.db2.gz DXQBHZJLKVNWAD-XMMPIXPASA-N 0 3 565.431 6.342 50 0 KKAAHN COc1cc2c(cc1Br)n(C)c(COc1ccc(Br)cc1Br)c2C(=O)OCCN(C)C ZINC000098007345 554063565 /nfs/dbraw/zinc/06/35/65/554063565.db2.gz USNTZKOOSKYKLI-UHFFFAOYSA-N 0 3 619.148 5.772 50 0 KKAAHN Cc1ccsc1[C@@H]1SCC(=O)N(CC(=O)NCCN(C)C)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C ZINC000098011274 554079211 /nfs/dbraw/zinc/07/92/11/554079211.db2.gz VFYQVXCJJOQPTA-SSEXGKCCSA-N 0 3 573.788 5.373 50 0 KKAAHN Cc1cccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@H]3c2ccccc2F)c1C ZINC000098011318 554079716 /nfs/dbraw/zinc/07/97/16/554079716.db2.gz DOOUVCNGWYGENF-HKBQPEDESA-N 0 3 571.722 5.142 50 0 KKAAHN COc1ccccc1NC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000035836016 554080111 /nfs/dbraw/zinc/08/01/11/554080111.db2.gz AZKAXNYKMNVODI-HSZRJFAPSA-N 0 3 526.559 6.007 50 0 KKAAHN CC(C)COC[C@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000035842596 554081376 /nfs/dbraw/zinc/08/13/76/554081376.db2.gz WTHGOCHRDRLTCG-SSEXGKCCSA-N 0 3 549.800 6.028 50 0 KKAAHN C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035871462 554085675 /nfs/dbraw/zinc/08/56/75/554085675.db2.gz LJGZUDQKQVFSON-GGPAXRDESA-N 0 3 507.600 5.488 50 0 KKAAHN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000035891977 554090919 /nfs/dbraw/zinc/09/09/19/554090919.db2.gz FOQDGKPFGJLQIQ-DEOSSOPVSA-N 0 3 506.477 6.778 50 0 KKAAHN CC(C)(C)c1ccc(-c2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042728 554121756 /nfs/dbraw/zinc/12/17/56/554121756.db2.gz UZVVSCMEVPRWLR-UHFFFAOYSA-N 0 3 586.618 7.688 50 0 KKAAHN CCOC(=O)c1c2cc(OC[C@H](O)CN3CCCCC3)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000098045746 554133570 /nfs/dbraw/zinc/13/35/70/554133570.db2.gz NOSDQNXHQJWNKU-LJQANCHMSA-N 0 3 561.542 5.635 50 0 KKAAHN Cc1ccc(CSc2nnc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3ccccc3F)s2)cc1 ZINC000098046933 554145118 /nfs/dbraw/zinc/14/51/18/554145118.db2.gz YVQUJRWOKZECKU-HSZRJFAPSA-N 0 3 529.618 6.443 50 0 KKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCN(C[C@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048141 554159813 /nfs/dbraw/zinc/15/98/13/554159813.db2.gz VZODFMDSMOQRNS-PIYFIQLCSA-N 0 3 765.014 9.920 50 0 KKAAHN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3C4=C(CCCC4)C(=O)N3C[C@@H]3CCCO3)CCC[C@@]21C ZINC000036139313 554196880 /nfs/dbraw/zinc/19/68/80/554196880.db2.gz BEEWXJLOUGNKKP-PSXWTVODSA-N 0 3 504.759 6.628 50 0 KKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036301723 554211826 /nfs/dbraw/zinc/21/18/26/554211826.db2.gz OAIDNJLZMUCPOG-HHHXNRCGSA-N 0 3 504.074 6.688 50 0 KKAAHN COc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)COCc3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000036302358 554212388 /nfs/dbraw/zinc/21/23/88/554212388.db2.gz QXCMYGNPDYIWRL-RUZDIDTESA-N 0 3 519.642 5.610 50 0 KKAAHN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036316112 554219608 /nfs/dbraw/zinc/21/96/08/554219608.db2.gz BCRMIDXPHJGWTF-QFIPXVFZSA-N 0 3 501.618 5.792 50 0 KKAAHN Cc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)NCCN2CCCC2)cc1 ZINC000037587834 554253013 /nfs/dbraw/zinc/25/30/13/554253013.db2.gz VIHGBEFUNDSDTJ-UHFFFAOYSA-N 0 3 523.599 5.615 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000038144544 554266171 /nfs/dbraw/zinc/26/61/71/554266171.db2.gz MRALEWQMYQUEFT-UHFFFAOYSA-N 0 3 596.775 5.517 50 0 KKAAHN COc1ccc(C(=O)[C@@H](CCCC[C@@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000044460018 554302169 /nfs/dbraw/zinc/30/21/69/554302169.db2.gz WZVXOSLRDCQYGW-KYJUHHDHSA-N 0 3 548.768 6.534 50 0 KKAAHN O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000049763204 554325355 /nfs/dbraw/zinc/32/53/55/554325355.db2.gz GXJZUJYXQQSZAJ-KKLWWLSJSA-N 0 3 722.930 5.941 50 0 KKAAHN CCOc1c(Br)cc([C@H]2NC[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000053356913 554345005 /nfs/dbraw/zinc/34/50/05/554345005.db2.gz CEYLFJGEHUEGAU-UQBPGWFLSA-N 0 3 537.454 6.179 50 0 KKAAHN CCCN1CCC2(CC1)Oc1c(Br)cc(Br)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000100684078 554448902 /nfs/dbraw/zinc/44/89/02/554448902.db2.gz YJYZLUOIRGJXDO-VWLOTQADSA-N 0 3 569.341 7.110 50 0 KKAAHN COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)N2CCN([C@H](c3c(C)[nH]c4ccccc43)c3ccc(OC)cc3)CC2)cc1 ZINC000100868770 554497397 /nfs/dbraw/zinc/49/73/97/554497397.db2.gz YPTZLBMZADCDLD-UWXQCODUSA-N 0 3 584.764 7.780 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2c(cccc2Cl)s1 ZINC000060209995 554503818 /nfs/dbraw/zinc/50/38/18/554503818.db2.gz FQYGFEGASWNYIF-UHFFFAOYSA-N 0 3 535.135 5.113 50 0 KKAAHN CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210104 554504004 /nfs/dbraw/zinc/50/40/04/554504004.db2.gz NTLQMAIWMBFKOM-UHFFFAOYSA-N 0 3 594.759 5.271 50 0 KKAAHN CCCCOc1ccc([C@@](O)(CCC)[C@H](CN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426879 554508899 /nfs/dbraw/zinc/50/88/99/554508899.db2.gz YIJMZLISLQQENO-NDKRRWIDSA-N 0 3 516.726 6.468 50 0 KKAAHN CCCCOc1ccc([C@](O)(CCC)[C@@H](CN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426878 554508905 /nfs/dbraw/zinc/50/89/05/554508905.db2.gz YIJMZLISLQQENO-BZKUTMRRSA-N 0 3 516.726 6.468 50 0 KKAAHN CCCCOc1ccc([C@](O)(CCC)[C@H](CN2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000063426880 554508999 /nfs/dbraw/zinc/50/89/99/554508999.db2.gz YIJMZLISLQQENO-LXANVCGNSA-N 0 3 516.726 6.468 50 0 KKAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCCN5CCCCCC5)CC4)ccc3o2)cc1 ZINC000065006119 554524378 /nfs/dbraw/zinc/52/43/78/554524378.db2.gz XNEHBDRICUYNEN-HSZRJFAPSA-N 0 3 516.686 5.284 50 0 KKAAHN Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCCN5CCCCCC5)CC4)ccc3o2)cc1 ZINC000065006122 554524394 /nfs/dbraw/zinc/52/43/94/554524394.db2.gz XNEHBDRICUYNEN-QHCPKHFHSA-N 0 3 516.686 5.284 50 0 KKAAHN COc1cc(C[C@@H]2NCCc3cc(OCc4ccccc4)c(OCc4ccccc4)c(OC)c32)ccc1OCc1ccccc1 ZINC000101013569 554558969 /nfs/dbraw/zinc/55/89/69/554558969.db2.gz WEWHXOWKLPPEOF-XIFFEERXSA-N 0 3 601.743 7.870 50 0 KKAAHN Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCCN(C)C)C(=O)CS[C@@H]3c2ccsc2)c(C)c1 ZINC000101052900 554568926 /nfs/dbraw/zinc/56/89/26/554568926.db2.gz RNQBQOYYZHSDBW-GDLZYMKVSA-N 0 3 559.761 5.065 50 0 KKAAHN COc1cc(C(=O)N2CCC[C@@H](COc3ccc(CN(C)Cc4cccc5ccccc54)cc3)C2)cc(OC)c1OC ZINC000101052859 554568977 /nfs/dbraw/zinc/56/89/77/554568977.db2.gz SZMIGQJOVZYKPA-AREMUKBSSA-N 0 3 568.714 6.429 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101075942 554577409 /nfs/dbraw/zinc/57/74/09/554577409.db2.gz BOSBRCJAAOCVFI-UBFVSLLYSA-N 0 3 584.253 7.067 50 0 KKAAHN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccn1)[C@@]21c2ccccc2NC1=O ZINC000101107631 554640227 /nfs/dbraw/zinc/64/02/27/554640227.db2.gz FENAJJSBOYTMHK-UUQNIDNHSA-N 0 3 511.581 5.328 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101148367 554656602 /nfs/dbraw/zinc/65/66/02/554656602.db2.gz AVFPRVAOUSFFCL-VJGNERBWSA-N 0 3 508.505 5.096 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101185776 554668960 /nfs/dbraw/zinc/66/89/60/554668960.db2.gz RPAOVPSORWAUDF-JVPIYLDOSA-N 0 3 525.048 6.237 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101192935 554671288 /nfs/dbraw/zinc/67/12/88/554671288.db2.gz JWKRFLWMYGXAHP-NLDZOOGBSA-N 0 3 530.621 5.714 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101220372 554686355 /nfs/dbraw/zinc/68/63/55/554686355.db2.gz CMVWLEGROGMBLI-PFBJBMPXSA-N 0 3 504.558 5.454 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000101237433 554691957 /nfs/dbraw/zinc/69/19/57/554691957.db2.gz ACMGXGJEOXNCQB-PFBJBMPXSA-N 0 3 521.013 5.969 50 0 KKAAHN COc1cc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260299 554697291 /nfs/dbraw/zinc/69/72/91/554697291.db2.gz RMZDPVZMBJRRKO-DNQXCXABSA-N 0 3 544.589 6.092 50 0 KKAAHN O=C(C1CCN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000101329071 554730237 /nfs/dbraw/zinc/73/02/37/554730237.db2.gz MHJMNSJDVNESJQ-UHFFFAOYSA-N 0 3 559.776 5.186 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000101385865 554750459 /nfs/dbraw/zinc/75/04/59/554750459.db2.gz CRJUZKVLPMHWSH-VMPREFPWSA-N 0 3 608.768 5.097 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386148 554751168 /nfs/dbraw/zinc/75/11/68/554751168.db2.gz ZQXVFZVLCKCNRN-JTSJOTPCSA-N 0 3 555.767 5.766 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3cccnc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)c(OC)c1 ZINC000101386167 554751306 /nfs/dbraw/zinc/75/13/06/554751306.db2.gz GJRJSGAKIAPDFN-GVYVVWIYSA-N 0 3 623.798 6.150 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N(C)C)cc3)CCN(C)CC2)C1(C)C ZINC000101386200 554751464 /nfs/dbraw/zinc/75/14/64/554751464.db2.gz NUWQCCWWFGRSRO-QGRQJHSQSA-N 0 3 623.817 6.943 50 0 KKAAHN COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)C[C@H]3[C@@H](c4c(C)[nH]c5ccccc54)C3(C)C)CCN(C)CC2)cc1 ZINC000101386243 554751747 /nfs/dbraw/zinc/75/17/47/554751747.db2.gz OICWGDKCYXFDBU-NHZFLZHXSA-N 0 3 592.784 6.747 50 0 KKAAHN CCc1ccc(-c2nc(CN3CCC(C(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)CC3)c(C)o2)cc1 ZINC000101449999 554775441 /nfs/dbraw/zinc/77/54/41/554775441.db2.gz MXLYXHSIBVIHTR-UHFFFAOYSA-N 0 3 550.147 5.016 50 0 KKAAHN CCCCN(CCCC)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000101454579 554776487 /nfs/dbraw/zinc/77/64/87/554776487.db2.gz LPYAKSMZYGXNQY-LDLOPFEMSA-N 0 3 549.712 5.785 50 0 KKAAHN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN(CC(C)C)CC(C)C)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101456890 554777579 /nfs/dbraw/zinc/77/75/79/554777579.db2.gz ONHROEQQXIKAMX-UHFFFAOYSA-N 0 3 575.775 5.640 50 0 KKAAHN Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000101506529 554790436 /nfs/dbraw/zinc/79/04/36/554790436.db2.gz QXGPIECVZDOULM-SNCSUOKWSA-N 0 3 565.783 7.074 50 0 KKAAHN Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CCN(C5CCCCC5)CC4)cc3)C2=O)c1 ZINC000101506551 554790496 /nfs/dbraw/zinc/79/04/96/554790496.db2.gz OKPYRTOHCIKCLU-MDAYZVFASA-N 0 3 592.784 6.032 50 0 KKAAHN COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3ccc(CN(C)Cc4ccc5ncccc5c4)cc3)CC2)c1 ZINC000101514611 554793608 /nfs/dbraw/zinc/79/36/08/554793608.db2.gz LCCZMJFAFLRPJK-UHFFFAOYSA-N 0 3 561.704 5.116 50 0 KKAAHN O=C(NCCCN(Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101617767 554806360 /nfs/dbraw/zinc/80/63/60/554806360.db2.gz MRCUCPRDJPJKLX-LOYHVIPDSA-N 0 3 545.749 6.516 50 0 KKAAHN CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCN4CCC(Cc5ccccc5)CC4)c3c2)CC1 ZINC000101687089 554829685 /nfs/dbraw/zinc/82/96/85/554829685.db2.gz AGKQYYVXGGVXBO-UHFFFAOYSA-N 0 3 611.812 5.402 50 0 KKAAHN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101843142 554843097 /nfs/dbraw/zinc/84/30/97/554843097.db2.gz DFSIEZWLZUDNIX-LOYHVIPDSA-N 0 3 544.765 5.009 50 0 KKAAHN COc1ccccc1-c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000101905044 554848395 /nfs/dbraw/zinc/84/83/95/554848395.db2.gz KJWZMHQYBMVXPJ-UHFFFAOYSA-N 0 3 552.078 6.120 50 0 KKAAHN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000102102977 554882026 /nfs/dbraw/zinc/88/20/26/554882026.db2.gz BEUCYLDGULLRKH-WJOKGBTCSA-N 0 3 569.790 6.435 50 0 KKAAHN CC[C@H](C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN2CCN(c3cccc(OC)c3)CC2)C1)c1ccccc1 ZINC000102136066 554887777 /nfs/dbraw/zinc/88/77/77/554887777.db2.gz IPSDASVBSOCDAK-JOYXZSCHSA-N 0 3 565.680 6.272 50 0 KKAAHN COc1cccc(NC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102299273 554908191 /nfs/dbraw/zinc/90/81/91/554908191.db2.gz RFYKGMBYUGOKGL-SUYBVONHSA-N 0 3 580.695 6.146 50 0 KKAAHN O=C1c2cccc(N3CCN(CC(c4ccccc4)c4ccccc4)CC3)c2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102338042 554912906 /nfs/dbraw/zinc/91/29/06/554912906.db2.gz ABLQPUZAIUBCFU-UHFFFAOYSA-N 0 3 545.639 5.166 50 0 KKAAHN COc1cccc([C@H]2CN(Cc3ccccc3C(F)(F)F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102576530 554971729 /nfs/dbraw/zinc/97/17/29/554971729.db2.gz WAVLQOGKLZLFIK-LEAFIULHSA-N 0 3 542.617 6.867 50 0 KKAAHN COc1ccc(CNC(=O)CC[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]2N2CCN(c3ccccc3OC)CC2)cc1 ZINC000102684141 555006677 /nfs/dbraw/zinc/00/66/77/555006677.db2.gz LCSGFXWGJVHZAT-QCENPCRXSA-N 0 3 591.196 5.467 50 0 KKAAHN Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000102744994 555036393 /nfs/dbraw/zinc/03/63/93/555036393.db2.gz UPXBEVAYFJAZCX-FKBYEOEOSA-N 0 3 559.247 5.324 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102745155 555037019 /nfs/dbraw/zinc/03/70/19/555037019.db2.gz AXWGVJBZYGTVMO-MPFGFTFXSA-N 0 3 534.568 5.274 50 0 KKAAHN CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCCC3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746808 555039622 /nfs/dbraw/zinc/03/96/22/555039622.db2.gz FKMWAADKCPNCJD-LJAQVGFWSA-N 0 3 560.720 5.006 50 0 KKAAHN CCc1ccc(NC(=O)[C@H](CC)SC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccccc4OC)C(=O)N32)cc1 ZINC000102746948 555040111 /nfs/dbraw/zinc/04/01/11/555040111.db2.gz QTADCTXZAXBEOR-BDYUSTAISA-N 0 3 583.714 5.073 50 0 KKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC(=O)c5ccccc5)cc4)[C@@H]3C2=O)cc1 ZINC000102747460 555041131 /nfs/dbraw/zinc/04/11/31/555041131.db2.gz HOFYLJBFMFOMSY-UPRLRBBYSA-N 0 3 504.542 5.265 50 0 KKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000102748149 555042128 /nfs/dbraw/zinc/04/21/28/555042128.db2.gz XBLQPYODUNULTQ-RWYGWLOXSA-N 0 3 584.141 6.062 50 0 KKAAHN O=C(Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102752987 555045125 /nfs/dbraw/zinc/04/51/25/555045125.db2.gz AVFPRVAOUSFFCL-ZONZVBGPSA-N 0 3 508.505 5.096 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102755079 555047044 /nfs/dbraw/zinc/04/70/44/555047044.db2.gz KPHCPOAPZBEPFP-IDZRBWSNSA-N 0 3 538.575 5.855 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102763243 555053788 /nfs/dbraw/zinc/05/37/88/555053788.db2.gz HEIXCPSUDITZCJ-PCCBWWKXSA-N 0 3 517.301 5.519 50 0 KKAAHN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1Br ZINC000102766497 555055263 /nfs/dbraw/zinc/05/52/63/555055263.db2.gz HLOTYTHFZXMWAA-TWJOJJKGSA-N 0 3 529.390 5.662 50 0 KKAAHN Cc1cccc(CN2c3cc(C(=O)NCCCN4CCc5ccccc5C4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102788283 555068273 /nfs/dbraw/zinc/06/82/73/555068273.db2.gz MCOFBGSQGCDHEZ-VQNDASPWSA-N 0 3 573.762 6.853 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccccc3C)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1=O ZINC000102860602 555090946 /nfs/dbraw/zinc/09/09/46/555090946.db2.gz FTDBOAQUTSQRPF-RJGXRXQPSA-N 0 3 559.471 6.208 50 0 KKAAHN COC(=O)c1c2c(sc1N1C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(C)cc4)[C@H]3C1=O)CCCC2 ZINC000102861287 555091604 /nfs/dbraw/zinc/09/16/04/555091604.db2.gz BOQFXVGHBOHFIB-TZRRMPRUSA-N 0 3 537.037 5.426 50 0 KKAAHN COC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000102863231 555092918 /nfs/dbraw/zinc/09/29/18/555092918.db2.gz ZIJMFWKGPORGGN-BHIFYINESA-N 0 3 510.999 5.164 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102866801 555095972 /nfs/dbraw/zinc/09/59/72/555095972.db2.gz IZYUSRPEZVHJJA-SSBOKUKZSA-N 0 3 555.417 7.458 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102868508 555098015 /nfs/dbraw/zinc/09/80/15/555098015.db2.gz HPNZLCQQRNYUOT-MPFGFTFXSA-N 0 3 555.417 7.458 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102888440 555121400 /nfs/dbraw/zinc/12/14/00/555121400.db2.gz KOCHPUKKFCJRIZ-UNMGZEBXSA-N 0 3 550.655 5.682 50 0 KKAAHN CN(C)c1ccc(C2=NN(c3ccc(/C=C/c4ccc(-c5ncc(-c6ccccc6)o5)cc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000102936649 555164374 /nfs/dbraw/zinc/16/43/74/555164374.db2.gz XTCYTZQBJDEKDE-YNDXKIBTSA-N 0 3 586.739 9.601 50 0 KKAAHN COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN3CCN(c4cccc(OC)c4)CC3)C2)cc1 ZINC000103052189 555234126 /nfs/dbraw/zinc/23/41/26/555234126.db2.gz ZXXOGPRLYYFKCZ-QCDSWUKFSA-N 0 3 567.652 5.330 50 0 KKAAHN COc1ccc(CC(=O)N2C[C@@H](CN3CCN(c4cccc(OC)c4)CC3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103052190 555234351 /nfs/dbraw/zinc/23/43/51/555234351.db2.gz ZXXOGPRLYYFKCZ-RNAHPLFWSA-N 0 3 567.652 5.330 50 0 KKAAHN COc1ccc(CC(=O)N2C[C@@H](CN3CCN(c4cccc(OC)c4)CC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000103052195 555234391 /nfs/dbraw/zinc/23/43/91/555234391.db2.gz ZXXOGPRLYYFKCZ-FYBSXPHGSA-N 0 3 567.652 5.330 50 0 KKAAHN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cc(C)ccc1C ZINC000103074226 555253719 /nfs/dbraw/zinc/25/37/19/555253719.db2.gz XLRLXJZVNQSMAT-UHFFFAOYSA-N 0 3 550.574 7.965 50 0 KKAAHN CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3)(C(=O)NCCN3CCCC3)C[C@H](OCc3cccc(C(F)(F)F)c3)[C@@H]2O1 ZINC000103124827 555292799 /nfs/dbraw/zinc/29/27/99/555292799.db2.gz YKGIQDXUZSLCJD-DEJVGURISA-N 0 3 594.646 5.211 50 0 KKAAHN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCCN(C)C)=CSC2=N1 ZINC000103324150 555359020 /nfs/dbraw/zinc/35/90/20/555359020.db2.gz LQZNVGXSPGQKRA-HKBQPEDESA-N 0 3 582.726 5.865 50 0 KKAAHN COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCCN(C)C)c3c2c(-c2ccc(Cl)cc2)nn3-c2ccc(C)cc2)c1 ZINC000103397833 555383934 /nfs/dbraw/zinc/38/39/34/555383934.db2.gz ZHTFQZIOCLFJRK-JGCGQSQUSA-N 0 3 634.202 5.365 50 0 KKAAHN COc1ccc([C@@H](CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OCc1ccccc1 ZINC000103419521 555399896 /nfs/dbraw/zinc/39/98/96/555399896.db2.gz JJXBSRAAXNVJDB-MGBGTMOVSA-N 0 3 587.764 7.011 50 0 KKAAHN CN1CCN(C[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)CN4CCN(C)CC4)c(Br)c3)cc2Br)CC1 ZINC000150477108 562843447 /nfs/dbraw/zinc/84/34/47/562843447.db2.gz ZRCYESYLJMBTMQ-PSWAGMNNSA-N 0 3 856.333 5.037 50 0 KKAAHN C(=C1\CCC2=C1N(Cc1ccccc1)C1=C(CC/C1=C\c1ccccc1)C2c1ccccc1)\c1ccccc1 ZINC000104022288 571371333 /nfs/dbraw/zinc/37/13/33/571371333.db2.gz BUZVCTBEVQVGKM-NUNOFNGCSA-N 0 3 503.689 9.549 50 0 KKAAHN Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000104147460 571375215 /nfs/dbraw/zinc/37/52/15/571375215.db2.gz DQWOZLGJVALEIT-KVXGTOJUSA-N 0 3 558.792 5.710 50 0 KKAAHN O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(CCc3ccccc3)C[C@H]12 ZINC000104917617 571387588 /nfs/dbraw/zinc/38/75/88/571387588.db2.gz GEDCOQQPMHRGRC-RPLLCQBOSA-N 0 3 511.563 5.067 50 0 KKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NCc4cccc(F)c4)cc3[C@H]2c2ccccc2)c1 ZINC000105023108 571389462 /nfs/dbraw/zinc/38/94/62/571389462.db2.gz JGCONOBZURGCRR-GPNASLBKSA-N 0 3 508.637 6.366 50 0 KKAAHN Cc1ccccc1[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105042056 571390128 /nfs/dbraw/zinc/39/01/28/571390128.db2.gz OQDQWEHJGKJEQU-SVEHJYQDSA-N 0 3 520.639 7.103 50 0 KKAAHN COc1cc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@H](c3ccccc3)C2)cc(OC)c1 ZINC000105041359 571390144 /nfs/dbraw/zinc/39/01/44/571390144.db2.gz ZXOFJOFVHPIAAQ-IRPSRAIASA-N 0 3 504.646 5.857 50 0 KKAAHN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105796506 571408939 /nfs/dbraw/zinc/40/89/39/571408939.db2.gz CXTVRUVNZZWPLP-CKOYEXALSA-N 0 3 570.645 6.869 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(C2CC2)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CCN(C)CC2)C1(C)C ZINC000105863846 571409036 /nfs/dbraw/zinc/40/90/36/571409036.db2.gz YZRKFWBJWMWSRQ-CWOGBHQLSA-N 0 3 570.822 6.146 50 0 KKAAHN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105990184 571410042 /nfs/dbraw/zinc/41/00/42/571410042.db2.gz HXMUMYVNZGBUIT-MPFGFTFXSA-N 0 3 585.454 6.088 50 0 KKAAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCCCC)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000105990290 571410099 /nfs/dbraw/zinc/41/00/99/571410099.db2.gz SMGNYNJBBTYXOB-OJDZSJEKSA-N 0 3 558.675 6.494 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000106018079 571410466 /nfs/dbraw/zinc/41/04/66/571410466.db2.gz FBSHMUUKVBFUCM-JCYYIGJDSA-N 0 3 555.428 6.079 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000106020960 571410922 /nfs/dbraw/zinc/41/09/22/571410922.db2.gz UXFKNZYGKMLBPR-XWHIBYANSA-N 0 3 564.638 6.114 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cc(Cl)ccc4Cl)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137836536 571450727 /nfs/dbraw/zinc/45/07/27/571450727.db2.gz WKXZDSIZVUCERD-CCDWMCETSA-N 0 3 505.357 6.305 50 0 KKAAHN CCCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 ZINC000150345845 571460175 /nfs/dbraw/zinc/46/01/75/571460175.db2.gz QMKSCTINHJSWPD-UHFFFAOYSA-N 0 3 659.346 7.326 50 0 KKAAHN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150388806 571471127 /nfs/dbraw/zinc/47/11/27/571471127.db2.gz XOBMEPQBPDYHCR-UHFFFAOYSA-N 0 3 709.846 10.822 50 0 KKAAHN Cc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CC(C)C)CC(C)C)cc1 ZINC000150389169 571471564 /nfs/dbraw/zinc/47/15/64/571471564.db2.gz HVQFPSYIFZXGGC-LFIBNONCSA-N 0 3 656.141 9.607 50 0 KKAAHN CC(C)CN(Cc1c(OC(=O)/C=C/c2ccc(C(C)(C)C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21)CC(C)C ZINC000150389268 571471623 /nfs/dbraw/zinc/47/16/23/571471623.db2.gz UPGJJWNRYPULEE-VXLYETTFSA-N 0 3 684.195 10.288 50 0 KKAAHN Cc1ccc(Oc2c(=O)c3ccc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)c(CN(CC(C)C)CC(C)C)c3oc2C(F)(F)F)cc1C ZINC000150389244 571471674 /nfs/dbraw/zinc/47/16/74/571471674.db2.gz KTBGNVNTFOWDHN-CPNJWEJPSA-N 0 3 677.804 10.251 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)[C@H]2C(=O)N1c1ccccc1I ZINC000150414764 571485341 /nfs/dbraw/zinc/48/53/41/571485341.db2.gz YIFRWDZXGTYRFT-UBFVSLLYSA-N 0 3 631.253 6.909 50 0 KKAAHN CN(C)CCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1CC2=C(C1=O)[C@H](c1cccc(Oc3ccccc3)c1)NC(=O)N2C ZINC000150522467 571520140 /nfs/dbraw/zinc/52/01/40/571520140.db2.gz TZBJSKJBOIGZBE-ILFWFZRHSA-N 0 3 643.788 5.473 50 0 KKAAHN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CC(=O)N(Cc2ccccc2F)C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCN(C)CC2)C1(C)C ZINC000150602760 571522719 /nfs/dbraw/zinc/52/27/19/571522719.db2.gz VGBLLXYHSNXODN-NBWQQBAWSA-N 0 3 665.854 6.714 50 0 KKAAHN O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000158988301 571529931 /nfs/dbraw/zinc/52/99/31/571529931.db2.gz NSLBTBGUFUPTCR-FTJBHMTQSA-N 0 3 759.370 7.774 50 0 KKAAHN COc1ccccc1N1CCN([C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCC2=CCCCC2)CC1 ZINC000299779051 572136215 /nfs/dbraw/zinc/13/62/15/572136215.db2.gz JKYINRMMXGMELH-IGYGKHONSA-N 0 3 579.229 6.148 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226820310 572142044 /nfs/dbraw/zinc/14/20/44/572142044.db2.gz UUZJMAIIODEPQS-UPRLRBBYSA-N 0 3 538.531 5.105 50 0 KKAAHN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000226815431 572142061 /nfs/dbraw/zinc/14/20/61/572142061.db2.gz QUTMYCXWAXWEMC-JIMJEQGWSA-N 0 3 541.431 6.232 50 0 KKAAHN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)cc1OC ZINC000226821135 572142761 /nfs/dbraw/zinc/14/27/61/572142761.db2.gz LRMJHMLBWTVHRI-JIMJEQGWSA-N 0 3 541.431 6.232 50 0 KKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)c1 ZINC000226826948 572142872 /nfs/dbraw/zinc/14/28/72/572142872.db2.gz KHQGCGYRQIVSDU-KKUQBAQOSA-N 0 3 519.384 6.613 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000226891008 572144674 /nfs/dbraw/zinc/14/46/74/572144674.db2.gz FOKPNSNZLXFBGO-BHDDXSALSA-N 0 3 519.768 5.412 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccc(Cl)cc2)ccc1O ZINC000226891008 572144675 /nfs/dbraw/zinc/14/46/75/572144675.db2.gz FOKPNSNZLXFBGO-BHDDXSALSA-N 0 3 519.768 5.412 50 0 KKAAHN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227017630 572146582 /nfs/dbraw/zinc/14/65/82/572146582.db2.gz QBPQPBWTXZKNEU-UPRLRBBYSA-N 0 3 617.427 5.867 50 0 KKAAHN CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000226984078 572146868 /nfs/dbraw/zinc/14/68/68/572146868.db2.gz KYLSEIXLSCTXTH-RBZQAINGSA-N 0 3 562.047 5.392 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4sc(=O)n(-c5ccccc5)c4Cl)[C@@H]3C2=O)cc1 ZINC000226984078 572146872 /nfs/dbraw/zinc/14/68/72/572146872.db2.gz KYLSEIXLSCTXTH-RBZQAINGSA-N 0 3 562.047 5.392 50 0 KKAAHN COc1ccc(OC)c(C([O-])=C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229887905 572165230 /nfs/dbraw/zinc/16/52/30/572165230.db2.gz MUNOBNJSMWTBIM-HICIQRJKSA-N 0 3 564.682 5.991 50 0 KKAAHN COc1ccc(OC)c(C(=O)C2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229887905 572165234 /nfs/dbraw/zinc/16/52/34/572165234.db2.gz MUNOBNJSMWTBIM-HICIQRJKSA-N 0 3 564.682 5.991 50 0 KKAAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OCc5ccccc5)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000229931674 572170882 /nfs/dbraw/zinc/17/08/82/572170882.db2.gz UXFKNZYGKMLBPR-DCMFLLSESA-N 0 3 564.638 6.114 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)[C@@H]2C(=O)N1c1ccccc1I ZINC000229954949 572173862 /nfs/dbraw/zinc/17/38/62/572173862.db2.gz FDJLEYGRIBCKQC-ISJGIBHGSA-N 0 3 631.253 6.909 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000229973709 572175894 /nfs/dbraw/zinc/17/58/94/572175894.db2.gz GWPAFWXSQKUICE-PWRODBHTSA-N 0 3 528.200 5.263 50 0 KKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cc4ccccc4nc3Cl)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000229991938 572177080 /nfs/dbraw/zinc/17/70/80/572177080.db2.gz KQNQGMTYKQPGDF-YTFSRNRJSA-N 0 3 534.797 5.702 50 0 KKAAHN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(C(=O)c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000229998866 572177601 /nfs/dbraw/zinc/17/76/01/572177601.db2.gz WFPBKOUFZWTAQN-DCMQHHMNSA-N 0 3 528.583 6.072 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)c(Br)c4)[C@@H]3C2=O)cc1 ZINC000230035473 572180769 /nfs/dbraw/zinc/18/07/69/572180769.db2.gz MENVRHRUVZKQLR-ISJGIBHGSA-N 0 3 537.410 5.298 50 0 KKAAHN Cc1ccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000230189604 572185062 /nfs/dbraw/zinc/18/50/62/572185062.db2.gz GKAZYFQOEUZNOQ-CTMYTVLESA-N 0 3 528.608 6.143 50 0 KKAAHN CCOC(=O)c1c(C)c(C)sc1N1C(=O)C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1=O ZINC000238900762 572189023 /nfs/dbraw/zinc/18/90/23/572189023.db2.gz JTYPFJWUCDYBCH-YPAWHYETSA-N 0 3 579.889 6.553 50 0 KKAAHN CN(C)[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)c1cccc(C(F)(F)F)c1 ZINC000238899393 572189133 /nfs/dbraw/zinc/18/91/33/572189133.db2.gz GFOXWFGNFKAEBK-JOCHJYFZSA-N 0 3 503.528 6.685 50 0 KKAAHN O=C(c1ccccc1F)C1[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245239875 572213513 /nfs/dbraw/zinc/21/35/13/572213513.db2.gz GNKJRLMXOWXUNH-YGGCMVMVSA-N 0 3 549.001 6.335 50 0 KKAAHN O=C(c1ccccc1Cl)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000245246809 572219861 /nfs/dbraw/zinc/21/98/61/572219861.db2.gz OQXIXKSPTORELV-MFUXGYHDSA-N 0 3 571.485 6.911 50 0 KKAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C1=O ZINC000245246798 572219872 /nfs/dbraw/zinc/21/98/72/572219872.db2.gz OEULSDVNRAXMCN-OZNIXHKMSA-N 0 3 575.042 5.467 50 0 KKAAHN CC(C)N(C[C@H]1CN(Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245279051 572224048 /nfs/dbraw/zinc/22/40/48/572224048.db2.gz BANXZYFKGPGFNK-GJZUVCINSA-N 0 3 501.568 5.949 50 0 KKAAHN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(C(=O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245309107 572227155 /nfs/dbraw/zinc/22/71/55/572227155.db2.gz BCEGFARFUFCHIC-DCMQHHMNSA-N 0 3 528.583 5.990 50 0 KKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[C@H]2C1=O ZINC000245312070 572229940 /nfs/dbraw/zinc/22/99/40/572229940.db2.gz SBRNQJTWTNZDQK-FULLSBAXSA-N 0 3 512.650 6.347 50 0 KKAAHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Br)c4)[C@H]3C2=O)cc1 ZINC000245312888 572230431 /nfs/dbraw/zinc/23/04/31/572230431.db2.gz YLDPQEKCJYKKRK-WXFUMESZSA-N 0 3 507.384 5.289 50 0 KKAAHN CCN1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccc(C)cc4)C(=O)N(c4ccc(C)cc4)C3=O)[C@H]2C1 ZINC000245325690 572231861 /nfs/dbraw/zinc/23/18/61/572231861.db2.gz HHIDFPDEMOFTKO-HHHXNRCGSA-N 0 3 543.067 5.210 50 0 KKAAHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)c(Br)c3)[C@H]2C1=O ZINC000245325941 572231996 /nfs/dbraw/zinc/23/19/96/572231996.db2.gz IBILEQVHJPEGSC-DNVJHFABSA-N 0 3 511.347 5.038 50 0 KKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245326658 572232893 /nfs/dbraw/zinc/23/28/93/572232893.db2.gz GSVGNCIRFXJYSG-CUBQBAPOSA-N 0 3 530.581 6.998 50 0 KKAAHN CC[C@@H](C(=O)N1CCCN(C(=O)CCN2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248077869 572253310 /nfs/dbraw/zinc/25/33/10/572253310.db2.gz IYXQGTVXRXKXOE-MXBOTTGLSA-N 0 3 529.750 5.649 50 0 KKAAHN CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@H]3c4cc(OC)c(OC)cc4CCN3C[C@H]2CC)cc1 ZINC000248378804 572258560 /nfs/dbraw/zinc/25/85/60/572258560.db2.gz KQLDASGMVSYSES-MVZBJVRXSA-N 0 3 628.810 6.895 50 0 KKAAHN O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)CC2)CC1 ZINC000252478283 572261467 /nfs/dbraw/zinc/26/14/67/572261467.db2.gz AICHBKNURKIUKC-LJAQVGFWSA-N 0 3 598.710 5.611 50 0 KKAAHN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252549249 572263377 /nfs/dbraw/zinc/26/33/77/572263377.db2.gz QYWSWKYZIAILOR-JGCGQSQUSA-N 0 3 670.851 5.616 50 0 KKAAHN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCCN3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252585318 572264537 /nfs/dbraw/zinc/26/45/37/572264537.db2.gz HSEDMGOCZZYPGG-CJCKGJRFSA-N 0 3 708.731 5.231 50 0 KKAAHN C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)C[C@H](C)N1Cc1ccccc1 ZINC000253604365 572300808 /nfs/dbraw/zinc/30/08/08/572300808.db2.gz UENGATVDXBEDDZ-HFASVGIHSA-N 0 3 570.181 6.071 50 0 KKAAHN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253612759 572301271 /nfs/dbraw/zinc/30/12/71/572301271.db2.gz UVVRCAOQNORAME-SKEGOETOSA-N 0 3 525.862 8.816 50 0 KKAAHN