smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCO[C@H]2CN(c3nc(-c4ccc(Cl)cc4)nc4cc(Cl)ccc43)C[C@H]21 ZINC001164665625 719402603 /nfs/dbraw/zinc/40/26/03/719402603.db2.gz IFKLMBZHRRIZQN-MOPGFXCFSA-N 0 1 415.324 4.123 20 0 HIADMN Cc1nc(CN2CCCC23CCN([C@H](F)Oc2ccnc(Cl)c2)CC3)cs1 ZINC001164692615 719806309 /nfs/dbraw/zinc/80/63/09/719806309.db2.gz LKBPHCPLSKUGTI-SFHVURJKSA-N 0 1 410.946 4.262 20 0 HIADMN Cc1nc(CN2CCCC23CCN(c2ccc(SC(C)C)nn2)CC3)cs1 ZINC001164693823 719815234 /nfs/dbraw/zinc/81/52/34/719815234.db2.gz YWOBAHAGVMHKEY-UHFFFAOYSA-N 0 1 403.621 4.377 20 0 HIADMN COc1ccc2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164696686 719896278 /nfs/dbraw/zinc/89/62/78/719896278.db2.gz HJFAKGLCQBZJLG-UHFFFAOYSA-N 0 1 409.555 4.176 20 0 HIADMN Clc1ccnc2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc12 ZINC001164698225 719897126 /nfs/dbraw/zinc/89/71/26/719897126.db2.gz PVXYJOFXGLMGHE-UHFFFAOYSA-N 0 1 414.962 4.216 20 0 HIADMN c1csc(CN2CCOC3(CCN(c4cc(-c5cccs5)ncn4)CC3)C2)c1 ZINC001164706683 719899536 /nfs/dbraw/zinc/89/95/36/719899536.db2.gz JWFMYZGFXRNYRX-UHFFFAOYSA-N 0 1 412.584 4.138 20 0 HIADMN c1ccc(-c2nsc3c2ncnc3N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164735088 720444243 /nfs/dbraw/zinc/44/42/43/720444243.db2.gz VWZKZZXSUZUILY-RTBURBONSA-N 0 1 414.538 4.002 20 0 HIADMN Clc1ncc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c(Oc2ccccc2)n1 ZINC001164723987 720476518 /nfs/dbraw/zinc/47/65/18/720476518.db2.gz DMJNCAPSFCBVOT-RBUKOAKNSA-N 0 1 407.905 4.171 20 0 HIADMN Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164730650 720476754 /nfs/dbraw/zinc/47/67/54/720476754.db2.gz USPPELLJNXMLNK-UXHICEINSA-N 0 1 421.932 4.479 20 0 HIADMN Clc1ncc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c(Oc2ccccc2)n1 ZINC001164723980 720476820 /nfs/dbraw/zinc/47/68/20/720476820.db2.gz DMJNCAPSFCBVOT-OALUTQOASA-N 0 1 407.905 4.171 20 0 HIADMN Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728215 720477077 /nfs/dbraw/zinc/47/70/77/720477077.db2.gz OEAKLYUTXAQWNB-RTBURBONSA-N 0 1 421.932 4.479 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc(Cc3ccccc3)n1)[C@@H]2C ZINC001164858577 720952368 /nfs/dbraw/zinc/95/23/68/720952368.db2.gz JFSJHOPZOGSBCL-QGZVFWFLSA-N 0 1 424.980 4.339 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3sc4c(c31)CC[C@@H](C)C4)[C@@H]2C ZINC001164858623 720958133 /nfs/dbraw/zinc/95/81/33/720958133.db2.gz JPPBGIIGIRYDSQ-HZPDHXFCSA-N 0 1 424.618 4.434 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)[C@@H]2C ZINC001164857176 720993745 /nfs/dbraw/zinc/99/37/45/720993745.db2.gz CPOGHMCCZUHXNT-MRXNPFEDSA-N 0 1 423.565 4.047 20 0 HIADMN Cc1ccc(C)c(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nn2)c1 ZINC001164860225 721006842 /nfs/dbraw/zinc/00/68/42/721006842.db2.gz KHGZWNQYVMGHMK-LJQANCHMSA-N 0 1 404.562 4.378 20 0 HIADMN Cc1ccc(C)c(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nn2)c1 ZINC001164860220 721007214 /nfs/dbraw/zinc/00/72/14/721007214.db2.gz KHGZWNQYVMGHMK-IBGZPJMESA-N 0 1 404.562 4.378 20 0 HIADMN CCN(c1ccccc1)c1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)ncn1 ZINC001164864807 721013146 /nfs/dbraw/zinc/01/31/46/721013146.db2.gz ZPAJIVFAIPPPQT-IBGZPJMESA-N 0 1 419.577 4.253 20 0 HIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nccc4c(C)cccc43)C2)C1 ZINC001164777853 721351811 /nfs/dbraw/zinc/35/18/11/721351811.db2.gz JDNNLFFEQMJMNE-VWLOTQADSA-N 0 1 420.557 4.267 20 0 HIADMN Cc1cccc2c(C)cc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nc12 ZINC001164807817 721531097 /nfs/dbraw/zinc/53/10/97/721531097.db2.gz RKZRZDDEFQIHHO-HWBMXIPRSA-N 0 1 402.542 4.115 20 0 HIADMN CN(C)C(=O)CN1CCC2(CCCN2c2c(Cl)ccc3ccc(Cl)nc32)CC1 ZINC001165013142 721748567 /nfs/dbraw/zinc/74/85/67/721748567.db2.gz VOIRUOAVGRMSNN-UHFFFAOYSA-N 0 1 421.372 4.065 20 0 HIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(Cl)nc5ncccc45)CC3)C2)cc1 ZINC001164940577 721925388 /nfs/dbraw/zinc/92/53/88/721925388.db2.gz UEXRJPDAKHDHJR-UHFFFAOYSA-N 0 1 422.960 4.463 20 0 HIADMN Cc1ccc(CN2CCOC3(CCN(c4cc5nccc(Cl)c5cn4)CC3)C2)cc1 ZINC001164938978 721926069 /nfs/dbraw/zinc/92/60/69/721926069.db2.gz FQRIGJQDXHVMBE-UHFFFAOYSA-N 0 1 422.960 4.463 20 0 HIADMN Fc1ccc(-c2nnc(N3CCN(CCc4ccccn4)CC3)c3ccccc32)cc1 ZINC001165055188 722017462 /nfs/dbraw/zinc/01/74/62/722017462.db2.gz LJJYEBJLWRTBHC-UHFFFAOYSA-N 0 1 413.500 4.196 20 0 HIADMN Cc1nc(CN2CCO[C@@H]3CCN(C(C)(C)c4ccnc(Cl)c4)CC[C@H]32)cs1 ZINC001164989031 722186773 /nfs/dbraw/zinc/18/67/73/722186773.db2.gz NYGNQNLXJHMRNE-RTBURBONSA-N 0 1 421.010 4.100 20 0 HIADMN O=C(c1cccnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1)N1CCCCC1 ZINC001164995169 722193086 /nfs/dbraw/zinc/19/30/86/722193086.db2.gz SHSQRTMJUWVEFU-RUZDIDTESA-N 0 1 422.548 4.092 20 0 HIADMN Cc1nc2c(nc(Cl)nc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)s1 ZINC001164995968 722202103 /nfs/dbraw/zinc/20/21/03/722202103.db2.gz QOEUNTPNAPCICW-HXUWFJFHSA-N 0 1 417.941 4.432 20 0 HIADMN CSc1nc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2s1 ZINC001164994954 722205224 /nfs/dbraw/zinc/20/52/24/722205224.db2.gz JXNAULAHGGODIY-FQEVSTJZSA-N 0 1 415.563 4.192 20 0 HIADMN Fc1cccc(CN2CC[C@]23CCCN(c2cnc(OCc4ccccc4)cn2)C3)c1 ZINC001164995680 722205657 /nfs/dbraw/zinc/20/56/57/722205657.db2.gz PDZUZFSXRPWQRJ-VWLOTQADSA-N 0 1 418.516 4.440 20 0 HIADMN Fc1cccc(CN2CC[C@]23CCCN(c2ccnc(Cc4ccccc4)n2)C3)c1 ZINC001164995924 722210006 /nfs/dbraw/zinc/21/00/06/722210006.db2.gz PXZGYJVLPLPWHR-VWLOTQADSA-N 0 1 402.517 4.451 20 0 HIADMN COc1ccc(Cc2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[nH]2)c(F)c1 ZINC000435953688 861216730 /nfs/dbraw/zinc/21/67/30/861216730.db2.gz ASHXBZNJAWGMLL-UHFFFAOYSA-N 0 1 410.426 4.119 20 0 HIADMN Cc1cccc2nc(CCC(=O)N(Cc3cnn(C)c3)Cc3ccc(Cl)cc3)[nH]c21 ZINC000435992946 861273255 /nfs/dbraw/zinc/27/32/55/861273255.db2.gz LHQCCOIIWBHRCO-UHFFFAOYSA-N 0 1 421.932 4.420 20 0 HIADMN COc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(OC)cc1Br ZINC000436012031 861303664 /nfs/dbraw/zinc/30/36/64/861303664.db2.gz GIAJSNYDQAUHQZ-UHFFFAOYSA-N 0 1 420.712 4.229 20 0 HIADMN CSc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000436020312 861312275 /nfs/dbraw/zinc/31/22/75/861312275.db2.gz ZACGKBQZLVIIQS-OAHLLOKOSA-N 0 1 404.557 4.224 20 0 HIADMN CN(C)Cc1ccsc1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000436045247 861334179 /nfs/dbraw/zinc/33/41/79/861334179.db2.gz ONGOZSHUHBRPIP-GFCCVEGCSA-N 0 1 403.495 4.305 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(F)c3SC)CCN2C2CC2)c1 ZINC000436051713 861338733 /nfs/dbraw/zinc/33/87/33/861338733.db2.gz BHEHDKLDTMUJPM-PMACEKPBSA-N 0 1 400.519 4.264 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(SCc3noc(-c4ccc(F)cc4F)n3)n2)o1 ZINC000436050629 861339413 /nfs/dbraw/zinc/33/94/13/861339413.db2.gz JBNZOUKDYZHVPK-FNORWQNLSA-N 0 1 401.398 4.497 20 0 HIADMN COc1ccc(SCCCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000436056834 861342426 /nfs/dbraw/zinc/34/24/26/861342426.db2.gz DSKRDGMJFXBBCU-UHFFFAOYSA-N 0 1 416.562 4.487 20 0 HIADMN CCN1CCN(c2ccc(CNC(=O)c3c(C)c(C)oc3-c3ccccc3)cn2)CC1 ZINC000436063370 861345103 /nfs/dbraw/zinc/34/51/03/861345103.db2.gz HBCMTILWEBQZTK-UHFFFAOYSA-N 0 1 418.541 4.030 20 0 HIADMN COC(=O)[C@H]1CC[C@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)CC1 ZINC000436123060 861407600 /nfs/dbraw/zinc/40/76/00/861407600.db2.gz DNCHHXSQKFNGFN-SHTZXODSSA-N 0 1 409.461 4.211 20 0 HIADMN Cc1nc2c(nccc2C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)[nH]1 ZINC000436130074 861418725 /nfs/dbraw/zinc/41/87/25/861418725.db2.gz PVKUNCOYWXRURJ-UHFFFAOYSA-N 0 1 404.380 4.340 20 0 HIADMN CC(C)[C@H](C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1cccnc1 ZINC000436146506 861444737 /nfs/dbraw/zinc/44/47/37/861444737.db2.gz BAXVKRGTIRUECN-YYWHXJBOSA-N 0 1 403.929 4.423 20 0 HIADMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1ccccc1Br ZINC000004880245 845070399 /nfs/dbraw/zinc/07/03/99/845070399.db2.gz YJZXCSCDPQNZSY-UHFFFAOYSA-N 0 1 407.268 4.104 20 0 HIADMN CCOc1ccc(CN(C)C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 ZINC000005312578 845102629 /nfs/dbraw/zinc/10/26/29/845102629.db2.gz OADXIYUIBXFVSD-UHFFFAOYSA-N 0 1 409.555 4.458 20 0 HIADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000436232130 861537331 /nfs/dbraw/zinc/53/73/31/861537331.db2.gz IJERDNMIWVSVAD-NSHDSACASA-N 0 1 406.857 4.118 20 0 HIADMN COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000006178243 845181793 /nfs/dbraw/zinc/18/17/93/845181793.db2.gz MANIRVRTVBDEPR-QFBILLFUSA-N 0 1 416.543 4.113 20 0 HIADMN COc1ccc(-c2noc(CSc3nc(-c4ccc(C)cc4)n[nH]3)n2)c(OC)c1 ZINC000007113702 845255909 /nfs/dbraw/zinc/25/59/09/845255909.db2.gz OHQHDHWWHMXQHQ-UHFFFAOYSA-N 0 1 409.471 4.140 20 0 HIADMN COc1ccc(CNCc2cnn(Cc3ccc(F)cc3)c2)cc1Br ZINC000436241930 861550574 /nfs/dbraw/zinc/55/05/74/861550574.db2.gz LQRDRBRAZBPQBD-UHFFFAOYSA-N 0 1 404.283 4.131 20 0 HIADMN COc1ccc(OCCSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000007251813 845295544 /nfs/dbraw/zinc/29/55/44/845295544.db2.gz LTNLGJVTFRKGEK-UHFFFAOYSA-N 0 1 406.305 4.414 20 0 HIADMN COc1ccc(CNC(=S)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000007621607 845375071 /nfs/dbraw/zinc/37/50/71/845375071.db2.gz OEDGDXKBQINLRS-FQEVSTJZSA-N 0 1 403.979 4.150 20 0 HIADMN COc1ccc(OC)c(-c2csc(NC(=O)CN3CCC[C@H]3C3CCC3)n2)c1 ZINC000436255067 861567507 /nfs/dbraw/zinc/56/75/07/861567507.db2.gz UGDOLDQOGSSBAM-SFHVURJKSA-N 0 1 401.532 4.030 20 0 HIADMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc3c(c2)CCC3)cc1Br ZINC000007879468 845439572 /nfs/dbraw/zinc/43/95/72/845439572.db2.gz WIFWHADTWACIHI-CYBMUJFWSA-N 0 1 403.320 4.236 20 0 HIADMN C[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000008004416 845461197 /nfs/dbraw/zinc/46/11/97/845461197.db2.gz SQDPMFQPZYNIJR-IBGZPJMESA-N 0 1 419.569 4.093 20 0 HIADMN CCOc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc(OCC)c1OCC ZINC000008116995 845478481 /nfs/dbraw/zinc/47/84/81/845478481.db2.gz HCRVOXBSDWOAAI-UHFFFAOYSA-N 0 1 410.474 4.229 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000008117066 845478552 /nfs/dbraw/zinc/47/85/52/845478552.db2.gz DAPDMCLLICCECV-UHFFFAOYSA-N 0 1 412.449 4.029 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2C)c1 ZINC000008180669 845488392 /nfs/dbraw/zinc/48/83/92/845488392.db2.gz JFRJCVHPNRNUCN-UHFFFAOYSA-N 0 1 410.495 4.365 20 0 HIADMN COc1ccc([C@@H](CNC(=O)CN2CCC=C(C)C2)c2c[nH]c3ccccc32)cc1 ZINC000436264161 861575207 /nfs/dbraw/zinc/57/52/07/861575207.db2.gz VVBDYXJUWLLCKY-JOCHJYFZSA-N 0 1 403.526 4.077 20 0 HIADMN O=S(=O)(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2cccnc21 ZINC000008697194 845546456 /nfs/dbraw/zinc/54/64/56/845546456.db2.gz OFJOVYCJBKPQNY-UHFFFAOYSA-N 0 1 418.400 4.240 20 0 HIADMN Fc1ccc(Cn2cc(CNCc3ccnc(OCc4ccccc4)c3)cn2)cc1 ZINC000436277352 861585419 /nfs/dbraw/zinc/58/54/19/861585419.db2.gz XKQACCMOWPDUMO-UHFFFAOYSA-N 0 1 402.473 4.334 20 0 HIADMN C[C@@H](NCc1cc(Cl)cc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000436282006 861589432 /nfs/dbraw/zinc/58/94/32/861589432.db2.gz RKFBKWYWQPDSAY-GFCCVEGCSA-N 0 1 420.884 4.460 20 0 HIADMN COc1ccc([C@H](N[C@H](C)C(=O)N2CCc3ccccc3C2)c2ccccc2)cc1 ZINC000010351941 845649214 /nfs/dbraw/zinc/64/92/14/845649214.db2.gz MSGFGWAWGJRHDD-KBMIEXCESA-N 0 1 400.522 4.348 20 0 HIADMN Cc1cc(CNC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)ccc1F ZINC000010552394 845673042 /nfs/dbraw/zinc/67/30/42/845673042.db2.gz YXCGMFMBRSDXIK-UHFFFAOYSA-N 0 1 413.518 4.383 20 0 HIADMN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4C)cc3)cc2[nH]1 ZINC000010657140 845687979 /nfs/dbraw/zinc/68/79/79/845687979.db2.gz KLNMEXNXSIAQRL-UHFFFAOYSA-N 0 1 420.494 4.233 20 0 HIADMN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4F)cc3)cc2[nH]1 ZINC000010657134 845688084 /nfs/dbraw/zinc/68/80/84/845688084.db2.gz SOYIAJOWOWZFRF-UHFFFAOYSA-N 0 1 424.457 4.064 20 0 HIADMN CCOc1c(Br)cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1OC ZINC000010895627 845723086 /nfs/dbraw/zinc/72/30/86/845723086.db2.gz NOFBLJUQVHMSHI-UHFFFAOYSA-N 0 1 404.264 4.293 20 0 HIADMN C[C@@H]1CN(Cc2cccc(NCc3cnn(Cc4ccc(F)cc4)c3)c2)C[C@H](C)O1 ZINC000436292455 861598417 /nfs/dbraw/zinc/59/84/17/861598417.db2.gz BQACNVPKHBJUNO-KDURUIRLSA-N 0 1 408.521 4.292 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Cc1nc(C(C)C)c(C)s1)N1CCCC1 ZINC000436295489 861599611 /nfs/dbraw/zinc/59/96/11/861599611.db2.gz ZFVPYWVUKYLAFR-GOSISDBHSA-N 0 1 401.576 4.079 20 0 HIADMN CCOc1ccc(CCC2CCN(CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000011053426 845748846 /nfs/dbraw/zinc/74/88/46/845748846.db2.gz FSMCJYGXIBSSDQ-UHFFFAOYSA-N 0 1 423.557 4.327 20 0 HIADMN Cc1ccc(C2=NN(C(=O)CSc3nc(C4CC4)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000011473044 845800406 /nfs/dbraw/zinc/80/04/06/845800406.db2.gz MOZNDFGJGGFXMQ-QGZVFWFLSA-N 0 1 407.499 4.054 20 0 HIADMN Cc1ccc(C2=NN(C(=O)CSc3n[nH]c(C4CC4)n3)[C@@H](c3ccco3)C2)cc1 ZINC000011473044 845800412 /nfs/dbraw/zinc/80/04/12/845800412.db2.gz MOZNDFGJGGFXMQ-QGZVFWFLSA-N 0 1 407.499 4.054 20 0 HIADMN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000012104595 845854180 /nfs/dbraw/zinc/85/41/80/845854180.db2.gz MUVRWWPPBNZVMG-UHFFFAOYSA-N 0 1 422.576 4.123 20 0 HIADMN COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000012104595 845854185 /nfs/dbraw/zinc/85/41/85/845854185.db2.gz MUVRWWPPBNZVMG-UHFFFAOYSA-N 0 1 422.576 4.123 20 0 HIADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013593035 845917104 /nfs/dbraw/zinc/91/71/04/845917104.db2.gz HUWZSECZKRWQLA-OAHLLOKOSA-N 0 1 400.438 4.112 20 0 HIADMN CSc1nc2ccc(NC(=O)c3cn[nH]c3-c3ccc4c(c3)OCCO4)cc2s1 ZINC000014328551 845938110 /nfs/dbraw/zinc/93/81/10/845938110.db2.gz ZZJUKYZTNFPXKG-UHFFFAOYSA-N 0 1 424.507 4.432 20 0 HIADMN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2n[nH]c(CCC3CCCC3)n2)c1 ZINC000014805670 845983145 /nfs/dbraw/zinc/98/31/45/845983145.db2.gz QGXSQNBSUMASNM-ZDUSSCGKSA-N 0 1 404.536 4.064 20 0 HIADMN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000014805670 845983155 /nfs/dbraw/zinc/98/31/55/845983155.db2.gz QGXSQNBSUMASNM-ZDUSSCGKSA-N 0 1 404.536 4.064 20 0 HIADMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3Oc3cccc(C)c3)ccc21 ZINC000015245290 846022819 /nfs/dbraw/zinc/02/28/19/846022819.db2.gz CQMXBNBDXZSGRJ-UHFFFAOYSA-N 0 1 422.506 4.497 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1 ZINC000015385058 846043319 /nfs/dbraw/zinc/04/33/19/846043319.db2.gz LJOQFWBEAUWMMN-UHFFFAOYSA-N 0 1 424.522 4.077 20 0 HIADMN O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000015431416 846047353 /nfs/dbraw/zinc/04/73/53/846047353.db2.gz KCSXXJXEOJSZGI-UHFFFAOYSA-N 0 1 404.850 4.292 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000015588824 846068384 /nfs/dbraw/zinc/06/83/84/846068384.db2.gz SVCAVUUFIWWGLI-UHFFFAOYSA-N 0 1 418.421 4.027 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(C)oc2C)ccc1C ZINC000015633160 846075968 /nfs/dbraw/zinc/07/59/68/846075968.db2.gz WWPISOMSGMILAV-UHFFFAOYSA-N 0 1 414.483 4.267 20 0 HIADMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000016097199 846123616 /nfs/dbraw/zinc/12/36/16/846123616.db2.gz YUGKSZCHHXMMSK-UHFFFAOYSA-N 0 1 408.479 4.026 20 0 HIADMN CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016127270 846127869 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COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(F)c2)c1 ZINC000021216949 846418383 /nfs/dbraw/zinc/41/83/83/846418383.db2.gz LSJHEQQSYHJZLI-UHFFFAOYSA-N 0 1 414.458 4.196 20 0 HIADMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)s2)CC1 ZINC000021285770 846425016 /nfs/dbraw/zinc/42/50/16/846425016.db2.gz UBGQGDILXGFRDG-UHFFFAOYSA-N 0 1 414.756 4.168 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000021319876 846427958 /nfs/dbraw/zinc/42/79/58/846427958.db2.gz IHKCVKDMKDCNSS-UHFFFAOYSA-N 0 1 403.526 4.163 20 0 HIADMN CCCC[C@H](Sc1nc(-c2ccc(OC)cc2)n[nH]1)C(=O)Nc1cc(C)on1 ZINC000021465318 846448452 /nfs/dbraw/zinc/44/84/52/846448452.db2.gz SIQWQMXLIOGFLO-HNNXBMFYSA-N 0 1 401.492 4.066 20 0 HIADMN COc1ccc2nc(S[C@@H](C)C(=O)N(C)Cc3nc4ccccc4s3)[nH]c2c1 ZINC000021830266 846498502 /nfs/dbraw/zinc/49/85/02/846498502.db2.gz WLYOLXDDCXINJT-LBPRGKRZSA-N 0 1 412.540 4.320 20 0 HIADMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000021823737 846498753 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COc1cccc([C@@H](CNC(=O)CCc2ccc(-c3ccccc3F)o2)N(C)C)c1 ZINC000022683605 846603053 /nfs/dbraw/zinc/60/30/53/846603053.db2.gz XHSJUHSIASMYOU-JOCHJYFZSA-N 0 1 410.489 4.446 20 0 HIADMN Cc1cc(C)c(NC(=O)CN2CCCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000022837014 846627358 /nfs/dbraw/zinc/62/73/58/846627358.db2.gz JODCGXXPGDSTOQ-UHFFFAOYSA-N 0 1 403.929 4.242 20 0 HIADMN Cc1c(C(=O)NC[C@H](c2cccs2)N(C)C)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022990730 846645468 /nfs/dbraw/zinc/64/54/68/846645468.db2.gz MYRCCHOGKQNKKK-QGZVFWFLSA-N 0 1 422.476 4.294 20 0 HIADMN Cc1ccc(-n2ncc(C(=O)NC[C@@H](c3ccsc3)N(C)C)c2C(F)(F)F)cc1 ZINC000023133429 846662672 /nfs/dbraw/zinc/66/26/72/846662672.db2.gz URGRBRKDRUGEBP-KRWDZBQOSA-N 0 1 422.476 4.294 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cnc3ccccc3n2)CC1 ZINC000023138868 846663679 /nfs/dbraw/zinc/66/36/79/846663679.db2.gz IBEHSSGIBQKCTL-CSKARUKUSA-N 0 1 421.932 4.077 20 0 HIADMN CN(C)c1cccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000023188138 846666007 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O[C@@H](COc1c(Cl)cccc1Cl)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025228000 846944855 /nfs/dbraw/zinc/94/48/55/846944855.db2.gz JLZMFURLLCSPOF-CRAIPNDOSA-N 0 1 424.324 4.341 20 0 HIADMN COc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)COc2ccc3ccccc3c2)c1 ZINC000025232752 846944993 /nfs/dbraw/zinc/94/49/93/846944993.db2.gz CEMLMPPAHNIQGG-YKSBVNFPSA-N 0 1 407.510 4.434 20 0 HIADMN O=C(Cc1csc(-c2cccc(Br)c2)n1)NOCc1ccccc1 ZINC000025284845 846952434 /nfs/dbraw/zinc/95/24/34/846952434.db2.gz VYLMSDBVPZLTBK-UHFFFAOYSA-N 0 1 403.301 4.363 20 0 HIADMN Brc1cnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000025336541 846962677 /nfs/dbraw/zinc/96/26/77/846962677.db2.gz WCAYVBQFBJGRHG-UHFFFAOYSA-N 0 1 409.331 4.151 20 0 HIADMN CCOc1c(Cl)cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1OC ZINC000025459647 846981667 /nfs/dbraw/zinc/98/16/67/846981667.db2.gz STEPEUFSFYZLRV-UHFFFAOYSA-N 0 1 416.949 4.314 20 0 HIADMN COc1ccc(CCNC(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000025549637 846998761 /nfs/dbraw/zinc/99/87/61/846998761.db2.gz 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/nfs/dbraw/zinc/24/69/61/847246961.db2.gz CAKCFRZHAXYEEL-INIZCTEOSA-N 0 1 414.469 4.034 20 0 HIADMN Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c(C)n1Cc1ccccc1 ZINC000027098579 847248111 /nfs/dbraw/zinc/24/81/11/847248111.db2.gz SQIPQQDMGTZEAE-UHFFFAOYSA-N 0 1 416.569 4.466 20 0 HIADMN O[C@]1(CNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CCC[C@@H](C(F)(F)F)C1 ZINC000436418011 861773162 /nfs/dbraw/zinc/77/31/62/861773162.db2.gz VFSQVSDQQWBVNG-BDJLRTHQSA-N 0 1 423.266 4.147 20 0 HIADMN O=C(CCc1ncc(-c2ccccc2Cl)o1)NC[C@H](c1ccco1)N1CCCC1 ZINC000027336089 847284629 /nfs/dbraw/zinc/28/46/29/847284629.db2.gz YYCQPDCVAHFUOT-GOSISDBHSA-N 0 1 413.905 4.474 20 0 HIADMN O=C(Cc1ccc(OC(F)F)cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027344576 847286599 /nfs/dbraw/zinc/28/65/99/847286599.db2.gz QSBSDUCZPIBUKV-IBGZPJMESA-N 0 1 408.876 4.437 20 0 HIADMN COc1ccc(-c2cc3[n-]c(C[N@H+](C)Cc4ccccc4OC)nc(=O)c3s2)cc1 ZINC000027348424 847287332 /nfs/dbraw/zinc/28/73/32/847287332.db2.gz QHUZPEUZSWRHDY-UHFFFAOYSA-N 0 1 421.522 4.301 20 0 HIADMN COc1ccc(-c2cc3[n-]c(C[N@@H+](C)Cc4ccccc4OC)nc(=O)c3s2)cc1 ZINC000027348424 847287341 /nfs/dbraw/zinc/28/73/41/847287341.db2.gz QHUZPEUZSWRHDY-UHFFFAOYSA-N 0 1 421.522 4.301 20 0 HIADMN CCOc1ccc([C@@H](NCc2cc(=O)n3c(C)csc3n2)C(C)C)cc1OCC ZINC000027380400 847293127 /nfs/dbraw/zinc/29/31/27/847293127.db2.gz HMDHMOAAIPTGJY-NRFANRHFSA-N 0 1 415.559 4.349 20 0 HIADMN C[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1cccc2ccccc21 ZINC000027572597 847321505 /nfs/dbraw/zinc/32/15/05/847321505.db2.gz PYXJJKHYDVPSSI-PZJWPPBQSA-N 0 1 415.537 4.368 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000027572007 847322307 /nfs/dbraw/zinc/32/23/07/847322307.db2.gz IOBFHXNKDKFOGT-LJQANCHMSA-N 0 1 406.448 4.210 20 0 HIADMN COc1ccc([C@@H](CNC(=O)CSc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027667319 847333744 /nfs/dbraw/zinc/33/37/44/847333744.db2.gz JKJNOCKZOQUVGW-OAQYLSRUSA-N 0 1 402.535 4.270 20 0 HIADMN COc1ccc([C@H](CNC(=O)CSCc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027667158 847333783 /nfs/dbraw/zinc/33/37/83/847333783.db2.gz ZEEXTNKMCZSXSN-QFIPXVFZSA-N 0 1 416.562 4.411 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2c[nH]nc2-c2ccccc2)N2CCCCC2)cc1 ZINC000027669100 847334869 /nfs/dbraw/zinc/33/48/69/847334869.db2.gz SXOHHYYMESGKQR-JOCHJYFZSA-N 0 1 404.514 4.042 20 0 HIADMN CN(C)[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1cccs1 ZINC000027674704 847334997 /nfs/dbraw/zinc/33/49/97/847334997.db2.gz PUYAILSSEFMRGL-NHCUHLMSSA-N 0 1 421.566 4.028 20 0 HIADMN CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000027671434 847335866 /nfs/dbraw/zinc/33/58/66/847335866.db2.gz LFPLRNRYRXOAFP-NSHDSACASA-N 0 1 400.891 4.447 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c(Cl)c1 ZINC000027802297 847352215 /nfs/dbraw/zinc/35/22/15/847352215.db2.gz WPZACYVTDBWCHD-UHFFFAOYSA-N 0 1 419.890 4.364 20 0 HIADMN C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCN(CCc2ccccc2)CC1 ZINC000027958796 847368777 /nfs/dbraw/zinc/36/87/77/847368777.db2.gz KRZWKGTZYFICLM-MRXNPFEDSA-N 0 1 406.357 4.181 20 0 HIADMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c(Br)c1 ZINC000028195945 847394793 /nfs/dbraw/zinc/39/47/93/847394793.db2.gz OSYJHHQMHWJQQE-UHFFFAOYSA-N 0 1 418.696 4.080 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(Br)c1 ZINC000028195736 847395091 /nfs/dbraw/zinc/39/50/91/847395091.db2.gz GDVGSEMLSXEOTI-UHFFFAOYSA-N 0 1 405.111 4.321 20 0 HIADMN COC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1C ZINC000028249123 847398736 /nfs/dbraw/zinc/39/87/36/847398736.db2.gz IIGIABFUAWCRMW-UHFFFAOYSA-N 0 1 407.797 4.255 20 0 HIADMN O=C(Nc1ccc(OC(=O)c2cc(-c3ccco3)n[nH]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000028490954 847426570 /nfs/dbraw/zinc/42/65/70/847426570.db2.gz NVXLXWDSXGHTDJ-UHFFFAOYSA-N 0 1 418.365 4.049 20 0 HIADMN Cc1ccc(-c2nn(CN3CCN(CCc4ccccc4)CC3)c(=S)o2)cc1C ZINC000028812575 847464938 /nfs/dbraw/zinc/46/49/38/847464938.db2.gz SMJYMAHBYHBZNQ-UHFFFAOYSA-N 0 1 408.571 4.307 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 ZINC000028868728 847470474 /nfs/dbraw/zinc/47/04/74/847470474.db2.gz HNRZRTKMQRXJEI-UHFFFAOYSA-N 0 1 412.511 4.188 20 0 HIADMN CC(C)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000028898064 847474581 /nfs/dbraw/zinc/47/45/81/847474581.db2.gz DQCQDIQJHHESFV-UHFFFAOYSA-N 0 1 415.291 4.375 20 0 HIADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000028905920 847475566 /nfs/dbraw/zinc/47/55/66/847475566.db2.gz VUWFAJSAYZLVRX-UONOGXRCSA-N 0 1 401.239 4.116 20 0 HIADMN CC(C)(C)c1nc2ccc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)cc2[nH]1 ZINC000028969604 847485818 /nfs/dbraw/zinc/48/58/18/847485818.db2.gz FPGVWISIEZLRPA-UHFFFAOYSA-N 0 1 406.486 4.226 20 0 HIADMN Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000029164532 847518387 /nfs/dbraw/zinc/51/83/87/847518387.db2.gz OMEAKUMMEJFECV-UHFFFAOYSA-N 0 1 407.543 4.151 20 0 HIADMN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000029174255 847519552 /nfs/dbraw/zinc/51/95/52/847519552.db2.gz ULFOLLQZTYKYFK-NRFANRHFSA-N 0 1 420.582 4.326 20 0 HIADMN Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)no1 ZINC000029244572 847530046 /nfs/dbraw/zinc/53/00/46/847530046.db2.gz AVZLSFYIHBUPGH-KRWDZBQOSA-N 0 1 401.264 4.113 20 0 HIADMN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cn[nH]c3-c3ccccc3)n2)cc1 ZINC000029314120 847544970 /nfs/dbraw/zinc/54/49/70/847544970.db2.gz UZNUONGVZFZLKS-UHFFFAOYSA-N 0 1 417.494 4.089 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4cc(C5CC5)on4)cc3)CC2)c1 ZINC000029417068 847561210 /nfs/dbraw/zinc/56/12/10/847561210.db2.gz LBNKXRYQGVEHJV-UHFFFAOYSA-N 0 1 416.525 4.435 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)COc4ccccc4)cc3)CC2)c1 ZINC000029417737 847561712 /nfs/dbraw/zinc/56/17/12/847561712.db2.gz WDXGXCXOVQUPAC-UHFFFAOYSA-N 0 1 415.537 4.335 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000029568171 847581126 /nfs/dbraw/zinc/58/11/26/847581126.db2.gz YOPGCTJHTBFMAT-CHWSQXEVSA-N 0 1 404.308 4.085 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000029568164 847581391 /nfs/dbraw/zinc/58/13/91/847581391.db2.gz YOPGCTJHTBFMAT-QWHCGFSZSA-N 0 1 404.308 4.085 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1C ZINC000029921305 847651024 /nfs/dbraw/zinc/65/10/24/847651024.db2.gz PCJIHFYDVJPTSF-UHFFFAOYSA-N 0 1 413.275 4.358 20 0 HIADMN Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)c2)cc1 ZINC000029953804 847658767 /nfs/dbraw/zinc/65/87/67/847658767.db2.gz OFEYIELTKNPVSV-UHFFFAOYSA-N 0 1 423.538 4.110 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)ccc1OC(C)C ZINC000030492759 847721333 /nfs/dbraw/zinc/72/13/33/847721333.db2.gz SDSIXBQZUQOQMB-HOTGVXAUSA-N 0 1 413.518 4.119 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000030492700 847721728 /nfs/dbraw/zinc/72/17/28/847721728.db2.gz DICVELZCFCDYHU-HZPDHXFCSA-N 0 1 416.518 4.177 20 0 HIADMN C[C@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000030511472 847725959 /nfs/dbraw/zinc/72/59/59/847725959.db2.gz OABACDUIQRRVCT-HNNXBMFYSA-N 0 1 400.425 4.391 20 0 HIADMN C[C@@H](NCc1cccc(COCc2ccco2)c1)C(=O)Nc1c(F)cccc1F ZINC000030511474 847726255 /nfs/dbraw/zinc/72/62/55/847726255.db2.gz WQOOFZPPVGZWRO-OAHLLOKOSA-N 0 1 400.425 4.391 20 0 HIADMN Clc1ccc(OCc2cccnc2)c(CNCc2ccc(Cn3cncn3)cc2)c1 ZINC000030633885 847748751 /nfs/dbraw/zinc/74/87/51/847748751.db2.gz YBAYVIVTYOTKQK-UHFFFAOYSA-N 0 1 419.916 4.244 20 0 HIADMN O=C(Nc1ccc(F)cc1)c1nnc(CSc2nc(-c3ccccc3)n[nH]2)s1 ZINC000030698443 847761606 /nfs/dbraw/zinc/76/16/06/847761606.db2.gz FUKNAAUKWXPGDW-UHFFFAOYSA-N 0 1 412.475 4.007 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000030999113 847806753 /nfs/dbraw/zinc/80/67/53/847806753.db2.gz GIVLKDMGPDOTEW-UHFFFAOYSA-N 0 1 412.584 4.195 20 0 HIADMN O=C(NCc1ccc(F)cc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000031024128 847810253 /nfs/dbraw/zinc/81/02/53/847810253.db2.gz RWVDEQGNGXVMEZ-UHFFFAOYSA-N 0 1 409.427 4.262 20 0 HIADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)Nc1ccccc1F ZINC000031096141 847822283 /nfs/dbraw/zinc/82/22/83/847822283.db2.gz IMNMSTIOCQOTNR-UHFFFAOYSA-N 0 1 418.516 4.470 20 0 HIADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1sc2ccccc2c1Cl ZINC000031240642 847850436 /nfs/dbraw/zinc/85/04/36/847850436.db2.gz BXHOSKGPDJMQHT-UHFFFAOYSA-N 0 1 413.974 4.497 20 0 HIADMN COc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000031407524 847878574 /nfs/dbraw/zinc/87/85/74/847878574.db2.gz SNYKYXDTSPDAGT-MRXNPFEDSA-N 0 1 418.559 4.311 20 0 HIADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(COc2ccc(F)cc2)o1 ZINC000031565932 847908705 /nfs/dbraw/zinc/90/87/05/847908705.db2.gz BCCFFCBBEXMHMR-HXUWFJFHSA-N 0 1 408.473 4.392 20 0 HIADMN O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(Br)cc1O ZINC000436546530 861845403 /nfs/dbraw/zinc/84/54/03/861845403.db2.gz GGKJXHGOSPXHAI-CQSZACIVSA-N 0 1 406.276 4.355 20 0 HIADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(OC)c1C ZINC000031722700 847937675 /nfs/dbraw/zinc/93/76/75/847937675.db2.gz FEPYXIUJWKYDJD-UHFFFAOYSA-N 0 1 414.321 4.274 20 0 HIADMN Cc1ccccc1CN1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000031765333 847944425 /nfs/dbraw/zinc/94/44/25/847944425.db2.gz OYCVKVWEEAGCGK-UHFFFAOYSA-N 0 1 414.553 4.406 20 0 HIADMN O=C(Nc1ccccc1)NC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436557625 861850441 /nfs/dbraw/zinc/85/04/41/861850441.db2.gz XJXGFAGLDDQXCO-UHFFFAOYSA-N 0 1 408.285 4.125 20 0 HIADMN CCC[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000032071860 847985358 /nfs/dbraw/zinc/98/53/58/847985358.db2.gz ONCKXVTTYOVXLK-INIZCTEOSA-N 0 1 404.532 4.065 20 0 HIADMN CC(C)CN1CCO[C@H](CNC(=O)c2sc3cccc(Cl)c3c2Cl)C1 ZINC000032270602 847996385 /nfs/dbraw/zinc/99/63/85/847996385.db2.gz LJEUWEOKYPFTDO-GFCCVEGCSA-N 0 1 401.359 4.295 20 0 HIADMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(F)c1 ZINC000032271540 847996466 /nfs/dbraw/zinc/99/64/66/847996466.db2.gz LXECYJOJGZGKJO-UHFFFAOYSA-N 0 1 402.422 4.326 20 0 HIADMN Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000032306470 848000889 /nfs/dbraw/zinc/00/08/89/848000889.db2.gz GDRRBYDGYGMEIQ-UHFFFAOYSA-N 0 1 422.916 4.073 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1ccc(NC(=O)OC)cc1)c1ccccc1Cl ZINC000032318059 848004327 /nfs/dbraw/zinc/00/43/27/848004327.db2.gz WRABTYURVKDJTI-IBGZPJMESA-N 0 1 403.910 4.331 20 0 HIADMN CCN(C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1 ZINC000032370120 848014530 /nfs/dbraw/zinc/01/45/30/848014530.db2.gz NGDDKYLTVRESBX-UHFFFAOYSA-N 0 1 410.495 4.163 20 0 HIADMN O=S(=O)(NCc1ccc(-c2nc3ccccc3s2)o1)c1c(F)cccc1F ZINC000032440498 848026404 /nfs/dbraw/zinc/02/64/04/848026404.db2.gz KIXRFQHXUATHKU-UHFFFAOYSA-N 0 1 406.435 4.313 20 0 HIADMN CC[C@H](CNC(=O)c1ccc(Br)cc1F)N1CCc2ccccc2C1 ZINC000032446846 848028825 /nfs/dbraw/zinc/02/88/25/848028825.db2.gz KCXOCOKBABMHEQ-QGZVFWFLSA-N 0 1 405.311 4.155 20 0 HIADMN CC[C@@H](CNC(=O)c1cc(F)ccc1Br)N1CCc2ccccc2C1 ZINC000032446749 848028955 /nfs/dbraw/zinc/02/89/55/848028955.db2.gz PPYPJXBRUBHBMX-KRWDZBQOSA-N 0 1 405.311 4.155 20 0 HIADMN 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4.308 20 0 HIADMN CCN(CC)[C@@H](C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000469222855 883322509 /nfs/dbraw/zinc/32/25/09/883322509.db2.gz VEHYVTUCAUAGQU-GOSISDBHSA-N 0 1 407.436 4.000 20 0 HIADMN Cc1nnc(SCCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)[nH]1 ZINC000469235034 883333582 /nfs/dbraw/zinc/33/35/82/883333582.db2.gz OTIMPFZOCHEXIM-UHFFFAOYSA-N 0 1 424.349 4.120 20 0 HIADMN O=C(CCCCc1cn[nH]n1)N[C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000469260025 883357090 /nfs/dbraw/zinc/35/70/90/883357090.db2.gz YHWCBLCYKQCFDI-CQSZACIVSA-N 0 1 419.245 4.090 20 0 HIADMN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)CCCCc2cn[nH]n2)c1 ZINC000469261985 883359540 /nfs/dbraw/zinc/35/95/40/883359540.db2.gz YOXKLTUOECKSGC-LADGPHEKSA-N 0 1 404.514 4.284 20 0 HIADMN COc1ccccc1Nc1ccccc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000503604698 912699102 /nfs/dbraw/zinc/69/91/02/912699102.db2.gz MJKBWSBNJDYWLA-UHFFFAOYSA-N 0 1 416.525 4.228 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@@H]2CCCc3ccc(Br)cc32)s1 ZINC000469304762 883402656 /nfs/dbraw/zinc/40/26/56/883402656.db2.gz YPYXPUXVWQSDSX-OAHLLOKOSA-N 0 1 400.363 4.081 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)Cc3ccc(F)c(Br)c3)cccc21 ZINC000469318063 883419858 /nfs/dbraw/zinc/41/98/58/883419858.db2.gz UYGQRBIDRDCZBH-QGZVFWFLSA-N 0 1 407.283 4.155 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)Cc3cc(F)ccc3Br)cccc21 ZINC000469363497 883487963 /nfs/dbraw/zinc/48/79/63/883487963.db2.gz MSYOFCKXOKABPA-KRWDZBQOSA-N 0 1 407.283 4.155 20 0 HIADMN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000469388304 883537935 /nfs/dbraw/zinc/53/79/35/883537935.db2.gz JSIRUTSLZODKGG-GOSISDBHSA-N 0 1 424.495 4.196 20 0 HIADMN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(Nc2ccncc2)cc1 ZINC000469408017 883577487 /nfs/dbraw/zinc/57/74/87/883577487.db2.gz MUCQUYDILMNNJW-UHFFFAOYSA-N 0 1 407.380 4.487 20 0 HIADMN COc1ccc([C@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)c2c[nH]c3ccccc32)cc1 ZINC000469445637 883641524 /nfs/dbraw/zinc/64/15/24/883641524.db2.gz FGMRDFPMGGTMHO-PMACEKPBSA-N 0 1 414.509 4.268 20 0 HIADMN COc1ccc(-c2nc(C)c(C(=O)N3CCC[N@H+](C4CCCC4)CC3)s2)c(F)c1 ZINC000503632403 912732532 /nfs/dbraw/zinc/73/25/32/912732532.db2.gz AYQKXXWFXLCNMO-UHFFFAOYSA-N 0 1 417.550 4.357 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000469463775 883678522 /nfs/dbraw/zinc/67/85/22/883678522.db2.gz ZPBJLGZRQRAMGF-UHFFFAOYSA-N 0 1 409.243 4.137 20 0 HIADMN CN(C)[C@H](CNC(=O)c1occc1Br)c1cccc(C(F)(F)F)c1 ZINC000469475281 883704334 /nfs/dbraw/zinc/70/43/34/883704334.db2.gz XVFWYXOCYSSJIG-CYBMUJFWSA-N 0 1 405.214 4.094 20 0 HIADMN CN(C)[C@H](CNC(=O)Cc1coc(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1 ZINC000469480859 883712666 /nfs/dbraw/zinc/71/26/66/883712666.db2.gz ZUGOAHASTOBQOS-LJQANCHMSA-N 0 1 417.431 4.322 20 0 HIADMN CN(C)[C@H](CNC(=O)CCc1cccc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469490192 883726602 /nfs/dbraw/zinc/72/66/02/883726602.db2.gz PLHPNEMSTWJPIC-QGZVFWFLSA-N 0 1 400.391 4.335 20 0 HIADMN CCc1nc2ccccc2n1CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469495704 883738552 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4.151 20 0 HIADMN Cc1nnc(SCC(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)[nH]1 ZINC000469621147 883838184 /nfs/dbraw/zinc/83/81/84/883838184.db2.gz LOESTAXNJHNOOL-KRWDZBQOSA-N 0 1 408.861 4.043 20 0 HIADMN Cc1n[nH]c(SCC(=O)N[C@@H](c2ccccc2Cl)c2cc(F)ccc2F)n1 ZINC000469621147 883838185 /nfs/dbraw/zinc/83/81/85/883838185.db2.gz LOESTAXNJHNOOL-KRWDZBQOSA-N 0 1 408.861 4.043 20 0 HIADMN C[C@H](CC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)C(=O)c1cccc(F)c1 ZINC000469733164 883891925 /nfs/dbraw/zinc/89/19/25/883891925.db2.gz HLZXGPDHPPPNSJ-LDBYXDLTSA-N 0 1 402.535 4.295 20 0 HIADMN CO[C@](C)(C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1F ZINC000469737353 883894129 /nfs/dbraw/zinc/89/41/29/883894129.db2.gz ZJTZHOGSOQOEBB-PDXHDDNESA-N 0 1 422.903 4.289 20 0 HIADMN COc1c(F)ccc(F)c1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469750423 883909235 /nfs/dbraw/zinc/90/92/35/883909235.db2.gz DZEKDNMNQKIRSO-HNNXBMFYSA-N 0 1 402.363 4.025 20 0 HIADMN CO[C@@H](C)c1nc(C)c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000469751216 883910991 /nfs/dbraw/zinc/91/09/91/883910991.db2.gz HJIRERQPAGOSIS-SWLSCSKDSA-N 0 1 415.481 4.210 20 0 HIADMN O=C(c1cc(-c2ccc(Cl)cc2)c[nH]1)N1CCC(CCCN2CCOCC2)CC1 ZINC000469774797 883949230 /nfs/dbraw/zinc/94/92/30/883949230.db2.gz IBPYVNJFBIKBFS-UHFFFAOYSA-N 0 1 415.965 4.300 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CCN[C@@H](C)c2csc(C(C)C)n2)s1 ZINC000469800253 883974753 /nfs/dbraw/zinc/97/47/53/883974753.db2.gz RAKWNMMWWZNREY-AWEZNQCLSA-N 0 1 415.650 4.252 20 0 HIADMN COc1ccc2oc([C@@H](C)NCc3cccc(C(=O)N4CCOCC4)c3)c(C)c2c1 ZINC000469806175 883979146 /nfs/dbraw/zinc/97/91/46/883979146.db2.gz JBHAMSQYZPCOGJ-QGZVFWFLSA-N 0 1 408.498 4.073 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000469806620 883980642 /nfs/dbraw/zinc/98/06/42/883980642.db2.gz FQGIMFSSFNDRKZ-KRWDZBQOSA-N 0 1 421.566 4.442 20 0 HIADMN C[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)n1cnc2ccccc21 ZINC000469875103 884065117 /nfs/dbraw/zinc/06/51/17/884065117.db2.gz SYZLEVRDCXJIFT-IFXJQAMLSA-N 0 1 404.436 4.035 20 0 HIADMN CN(C)[C@@H](CNC(=O)N(C)Cc1cccc(OC(F)(F)F)c1)c1cccs1 ZINC000469982237 884197015 /nfs/dbraw/zinc/19/70/15/884197015.db2.gz LARKYUGTQOJPQH-HNNXBMFYSA-N 0 1 401.454 4.091 20 0 HIADMN COc1ccc([C@H]2CCCN2C(=O)CN2CC[C@@H](C(F)(F)F)C2(C)C)c(OC)c1 ZINC000469991676 884206142 /nfs/dbraw/zinc/20/61/42/884206142.db2.gz MTVSOUBXTCZKHE-SJLPKXTDSA-N 0 1 414.468 4.030 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)N2CCCC2)o1 ZINC000470050909 884296787 /nfs/dbraw/zinc/29/67/87/884296787.db2.gz NEMJJBLXPWLEIP-GIWBLDEGSA-N 0 1 411.546 4.253 20 0 HIADMN O=C(CN1CC[C@H](c2ccccc2F)C1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000503719672 912809663 /nfs/dbraw/zinc/80/96/63/912809663.db2.gz CHHOMPHUULGLFX-UGKGYDQZSA-N 0 1 424.516 4.140 20 0 HIADMN C[C@@H](CO)N1CCCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000470061636 884312933 /nfs/dbraw/zinc/31/29/33/884312933.db2.gz XNJPKLFXHTWAAU-FQEVSTJZSA-N 0 1 424.585 4.092 20 0 HIADMN Cc1ccc(F)cc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000503728958 912811786 /nfs/dbraw/zinc/81/17/86/912811786.db2.gz PMCIZTSRQUWUDM-UHFFFAOYSA-N 0 1 404.917 4.121 20 0 HIADMN C[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1-n1cccn1 ZINC000470070871 884326567 /nfs/dbraw/zinc/32/65/67/884326567.db2.gz HWVQKHQNSWCCFX-GOSISDBHSA-N 0 1 421.520 4.036 20 0 HIADMN CCCCSc1ccc(C(=O)N2CCCN([C@@H](C)CO)CC2)cc1C(F)(F)F ZINC000470076790 884333173 /nfs/dbraw/zinc/33/31/73/884333173.db2.gz SCPPUULHPDCKST-HNNXBMFYSA-N 0 1 418.525 4.126 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3ccc(Sc4ccccc4Cl)nn3)[nH]c2c1 ZINC000470099628 884357100 /nfs/dbraw/zinc/35/71/00/884357100.db2.gz GCXIJTUVPMTQJK-UHFFFAOYSA-N 0 1 409.902 4.396 20 0 HIADMN CC(C)(NC(=O)c1ccc(Nc2ccncc2)cc1)c1nc(C(F)(F)F)cs1 ZINC000470102644 884360142 /nfs/dbraw/zinc/36/01/42/884360142.db2.gz APUAUAFKWAQUEN-UHFFFAOYSA-N 0 1 406.433 4.388 20 0 HIADMN Nc1c(Br)cc(Br)cc1CNCc1ccc2c(c1)COC2 ZINC000470255284 884592623 /nfs/dbraw/zinc/59/26/23/884592623.db2.gz 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UAHCRPMPHHGEIS-ROKPMTFOSA-N 0 1 424.589 4.071 20 0 HIADMN O=C1[C@@H](N2CC[C@@H](n3ncc4ccccc43)C2)CCN1c1ccccc1C(F)(F)F ZINC000473048217 887869705 /nfs/dbraw/zinc/86/97/05/887869705.db2.gz HPCJIPADBIAZDU-UZLBHIALSA-N 0 1 414.431 4.107 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccccc1SC(C)C)c1ccsc1 ZINC000473177341 887955538 /nfs/dbraw/zinc/95/55/38/887955538.db2.gz XDPPUEKMJFVRSL-SFHVURJKSA-N 0 1 419.616 4.386 20 0 HIADMN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000504371639 913201359 /nfs/dbraw/zinc/20/13/59/913201359.db2.gz RRJHFGOVNVFGSM-UHFFFAOYSA-N 0 1 419.272 4.124 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)C[C@H](c1cccs1)n1cccc1)N1CCCC1 ZINC000473283176 888039189 /nfs/dbraw/zinc/03/91/89/888039189.db2.gz LMACRCHWUVIGHJ-NHCUHLMSSA-N 0 1 423.582 4.491 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2cc(O)ccc2C(F)(F)F)N2CCCCC2)cc1 ZINC000473291684 888045427 /nfs/dbraw/zinc/04/54/27/888045427.db2.gz LYUBJUWVBYFBMH-FQEVSTJZSA-N 0 1 422.447 4.377 20 0 HIADMN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473363435 888085772 /nfs/dbraw/zinc/08/57/72/888085772.db2.gz VZERCCDTDHRDHY-QGZVFWFLSA-N 0 1 407.474 4.090 20 0 HIADMN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473373734 888091329 /nfs/dbraw/zinc/09/13/29/888091329.db2.gz NSBVOXUTBOFAMN-JPYJTQIMSA-N 0 1 412.493 4.339 20 0 HIADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000473375075 888092625 /nfs/dbraw/zinc/09/26/25/888092625.db2.gz SCUDRQXOCMGKSY-INIZCTEOSA-N 0 1 409.902 4.295 20 0 HIADMN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000473384072 888098714 /nfs/dbraw/zinc/09/87/14/888098714.db2.gz AWNITEZUULKXPB-CABZTGNLSA-N 0 1 402.214 4.252 20 0 HIADMN Cc1cccc(COc2cccc(C(=O)N[C@@H](Cc3nc[nH]n3)c3ccccc3)c2)c1 ZINC000473387007 888100691 /nfs/dbraw/zinc/10/06/91/888100691.db2.gz UJJWGDAXKHOIRA-QHCPKHFHSA-N 0 1 412.493 4.406 20 0 HIADMN CC(C)(C(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000473393912 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COc1csc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1 ZINC000473483458 888205027 /nfs/dbraw/zinc/20/50/27/888205027.db2.gz NSCOYSYOWXJHBW-UHFFFAOYSA-N 0 1 421.566 4.009 20 0 HIADMN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1F ZINC000473485542 888206719 /nfs/dbraw/zinc/20/67/19/888206719.db2.gz AYPDEAPFQSBDHH-UHFFFAOYSA-N 0 1 421.252 4.199 20 0 HIADMN CCOc1ccc(C(=O)CCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1F ZINC000473496987 888220486 /nfs/dbraw/zinc/22/04/86/888220486.db2.gz JFPVOMRMXDQHFV-SFHVURJKSA-N 0 1 418.534 4.202 20 0 HIADMN CCc1c(C(=O)NC[C@H](c2cccs2)N2CCCC2)cnn1-c1ccc(OC)cc1 ZINC000473497319 888220585 /nfs/dbraw/zinc/22/05/85/888220585.db2.gz KCNXHDHDQTUZEK-OAQYLSRUSA-N 0 1 424.570 4.072 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(C)s3)n2)cc1Br ZINC000473506523 888234438 /nfs/dbraw/zinc/23/44/38/888234438.db2.gz IYZJJBOMJBWJGT-SSDOTTSWSA-N 0 1 412.338 4.256 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@@H](C)c3nc(C4CC4)no3)n2)cc1Br ZINC000473507450 888236160 /nfs/dbraw/zinc/23/61/60/888236160.db2.gz JXFXOVGEJFPDOP-QMMMGPOBSA-N 0 1 422.308 4.357 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H]3Cc4ccccc4C3=O)n2)cc1Br ZINC000473525014 888262256 /nfs/dbraw/zinc/26/22/56/888262256.db2.gz XSHXYDODSVQPQP-HNNXBMFYSA-N 0 1 416.300 4.143 20 0 HIADMN CCc1noc(C)c1CSc1nc(-c2ccc(OC)c(Br)c2)n[nH]1 ZINC000473536015 888272925 /nfs/dbraw/zinc/27/29/25/888272925.db2.gz UVWZWYCLZZYPRB-UHFFFAOYSA-N 0 1 409.309 4.394 20 0 HIADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000504416395 913232271 /nfs/dbraw/zinc/23/22/71/913232271.db2.gz PCNGOTXJKZKWPN-OXJNMPFZSA-N 0 1 411.937 4.413 20 0 HIADMN COc1cccc(CNC(=O)[C@@H](C)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000504416583 913232634 /nfs/dbraw/zinc/23/26/34/913232634.db2.gz RDBRUBWBJQAKIQ-HXOBKFHXSA-N 0 1 423.944 4.322 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C[S@](C)=O)c3)[nH]n2)cc1C ZINC000473589635 888332468 /nfs/dbraw/zinc/33/24/68/888332468.db2.gz GNSVFQUMRDVXQK-MHZLTWQESA-N 0 1 401.919 4.478 20 0 HIADMN 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HIADMN COc1cccc([C@@H](CNC(=O)Nc2cc(F)c(Br)cc2C)N(C)C)c1 ZINC000473861332 888714005 /nfs/dbraw/zinc/71/40/05/888714005.db2.gz IYJQDFJKADLAFJ-GOSISDBHSA-N 0 1 424.314 4.330 20 0 HIADMN CC(C)OC(=O)CC[C@@H](C)NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000473861287 888714157 /nfs/dbraw/zinc/71/41/57/888714157.db2.gz WDBGJYCNLBKJOS-MRXNPFEDSA-N 0 1 422.481 4.171 20 0 HIADMN COc1ccc([C@H]2CCN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C2)cc1 ZINC000504483740 913278484 /nfs/dbraw/zinc/27/84/84/913278484.db2.gz NNMURXMGOSRFBO-AWEZNQCLSA-N 0 1 410.848 4.378 20 0 HIADMN C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000473910663 888789697 /nfs/dbraw/zinc/78/96/97/888789697.db2.gz NKZKFVPPJDCTKF-LBPRGKRZSA-N 0 1 400.276 4.378 20 0 HIADMN CCc1sc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)nc1-c1ccc(OC)cc1 ZINC000473921758 888802108 /nfs/dbraw/zinc/80/21/08/888802108.db2.gz SDYOPJZZVUPPPN-UHFFFAOYSA-N 0 1 405.483 4.419 20 0 HIADMN Cc1cc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)n(-c2ccccc2C(F)(F)F)n1 ZINC000473933902 888813118 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888917256 /nfs/dbraw/zinc/91/72/56/888917256.db2.gz QHVMZHVPCQMRGY-FQEVSTJZSA-N 0 1 405.502 4.047 20 0 HIADMN COc1ccc(CN(C[C@H](c2ccccc2)C(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000474152768 888984212 /nfs/dbraw/zinc/98/42/12/888984212.db2.gz SARJLOBYUUHNFG-GMAHTHKFSA-N 0 1 401.572 4.124 20 0 HIADMN Cc1ccc(CNC(=O)C2CCN(Cc3ccnn3-c3ccccc3C)CC2)cc1F ZINC000474155396 888988846 /nfs/dbraw/zinc/98/88/46/888988846.db2.gz CAIWTXCKSZOGGE-UHFFFAOYSA-N 0 1 420.532 4.157 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(OC)cc3OC(C)C)CCN2C2CC2)c1 ZINC000474159754 888995050 /nfs/dbraw/zinc/99/50/50/888995050.db2.gz OQYYULQJXFDSBT-UPVQGACJSA-N 0 1 424.541 4.199 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)C3(Cc4ccccc4F)CC3)CC[N@H+]2C2CC2)c1 ZINC000474160745 888997896 /nfs/dbraw/zinc/99/78/96/888997896.db2.gz SKXPOWLWDUIRGN-PKTZIBPZSA-N 0 1 408.517 4.251 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)C3(Cc4ccccc4F)CC3)CCN2C2CC2)c1 ZINC000474160745 888997918 /nfs/dbraw/zinc/99/79/18/888997918.db2.gz SKXPOWLWDUIRGN-PKTZIBPZSA-N 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889247434 /nfs/dbraw/zinc/24/74/34/889247434.db2.gz MINCQTGHWDHHNE-UHFFFAOYSA-N 0 1 419.363 4.283 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cc(F)c(Br)cc1Cl)c1cccc(F)c1 ZINC000474385154 889257824 /nfs/dbraw/zinc/25/78/24/889257824.db2.gz QFKANBACMAUJSU-INIZCTEOSA-N 0 1 417.681 4.413 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccc(COCC(F)(F)F)cc1)C2 ZINC000474424212 889287649 /nfs/dbraw/zinc/28/76/49/889287649.db2.gz GEFJHZKBWUOUGZ-MRXNPFEDSA-N 0 1 409.452 4.033 20 0 HIADMN COc1ccccc1[C@H](C)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O ZINC000474426334 889290267 /nfs/dbraw/zinc/29/02/67/889290267.db2.gz JOOATJRAJZNXOC-RBDMOPTHSA-N 0 1 424.541 4.030 20 0 HIADMN Cc1c(C(=O)Nc2cc(F)cc(Cl)c2O)nnn1-c1ccc(OC(C)C)cc1 ZINC000474435880 889300882 /nfs/dbraw/zinc/30/08/82/889300882.db2.gz CACQBXXSSBUHPS-UHFFFAOYSA-N 0 1 404.829 4.113 20 0 HIADMN O=C(NCc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1)c1cccs1 ZINC000474438317 889303429 /nfs/dbraw/zinc/30/34/29/889303429.db2.gz RBUBBIJIYKATPD-UHFFFAOYSA-N 0 1 404.850 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CCc1c(NC(=O)c2cc(=O)[nH]c(CC)c2)[nH]nc1-c1ccc(Br)cc1 ZINC000477647303 892776234 /nfs/dbraw/zinc/77/62/34/892776234.db2.gz WCSWVIAGGVLRKA-UHFFFAOYSA-N 0 1 415.291 4.317 20 0 HIADMN C[C@](Cc1nc2ccccc2s1)(C(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000477671468 892804364 /nfs/dbraw/zinc/80/43/64/892804364.db2.gz OONHGWKJJHCXGD-XMMPIXPASA-N 0 1 405.567 4.175 20 0 HIADMN Fc1ccccc1-c1nc(CN2CCN(CCCOCC(F)(F)F)CC2)cs1 ZINC000477681920 892807801 /nfs/dbraw/zinc/80/78/01/892807801.db2.gz XINNZCIROKZRRI-UHFFFAOYSA-N 0 1 417.472 4.036 20 0 HIADMN O=C(N[C@H](Cc1cccc(Br)c1)CC1CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000477736216 892833342 /nfs/dbraw/zinc/83/33/42/892833342.db2.gz CHAYBLOQISCFDW-ZWKOTPCHSA-N 0 1 417.351 4.260 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NC3CC(c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000477794941 892870908 /nfs/dbraw/zinc/87/09/08/892870908.db2.gz VBIGEZLBJMZUTB-UOYQGRGCSA-N 0 1 407.558 4.041 20 0 HIADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000477819369 892886647 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Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc4nn(C(C)C)cc4c3)n2)cc1 ZINC000482220629 897700188 /nfs/dbraw/zinc/70/01/88/897700188.db2.gz TXQAFOQNAHXJTJ-UHFFFAOYSA-N 0 1 406.515 4.442 20 0 HIADMN COc1cccc(-c2cc(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)n[nH]2)c1 ZINC000482227156 897705964 /nfs/dbraw/zinc/70/59/64/897705964.db2.gz QHWKTEXYTGIHNQ-UHFFFAOYSA-N 0 1 407.314 4.042 20 0 HIADMN COC(=O)c1ccc(Cl)c(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000482251637 897733214 /nfs/dbraw/zinc/73/32/14/897733214.db2.gz ZHFASVCOYUOFKO-INIZCTEOSA-N 0 1 424.810 4.143 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)N(C)C)c1 ZINC000505502661 914189540 /nfs/dbraw/zinc/18/95/40/914189540.db2.gz FTCVDHXMKACCDM-SFHVURJKSA-N 0 1 417.481 4.130 20 0 HIADMN CN(C)Cc1ccnc(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)c1 ZINC000482336928 897843050 /nfs/dbraw/zinc/84/30/50/897843050.db2.gz WNYZJHWVXKFBGJ-UHFFFAOYSA-N 0 1 407.518 4.398 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cccc(F)c1 ZINC000482373976 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4.200 20 0 HIADMN COc1cccc(Cn2ccc3ccc(NC(=O)[C@H]4CCCc5[nH]ncc54)cc32)c1 ZINC000497484777 906964872 /nfs/dbraw/zinc/96/48/72/906964872.db2.gz DUVQNSCBLQFPTJ-FQEVSTJZSA-N 0 1 400.482 4.480 20 0 HIADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000512674848 921283938 /nfs/dbraw/zinc/28/39/38/921283938.db2.gz ZSHBAAKJOJACHU-HNNXBMFYSA-N 0 1 414.868 4.380 20 0 HIADMN Cc1ccc([C@@H](CN[C@H](c2cc3ccccc3o2)c2cccnc2)N2CCOCC2)o1 ZINC000497522361 907012056 /nfs/dbraw/zinc/01/20/56/907012056.db2.gz BNZYHSBKXOQLOG-BWKNWUBXSA-N 0 1 417.509 4.482 20 0 HIADMN Cc1cccc2nc(CNc3ncnc4ccc(I)cc43)[nH]c21 ZINC000497534308 907025935 /nfs/dbraw/zinc/02/59/35/907025935.db2.gz PUJNCUJJHCFIBA-UHFFFAOYSA-N 0 1 415.238 4.031 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Oc2ccccc2)nc1 ZINC000512686266 921287310 /nfs/dbraw/zinc/28/73/10/921287310.db2.gz SPYPYIUYXYMISW-UHFFFAOYSA-N 0 1 405.473 4.407 20 0 HIADMN CC(C)C(=O)N1CCC(N[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497540308 907032225 /nfs/dbraw/zinc/03/22/25/907032225.db2.gz LWWFUYKWWDVPQQ-LJQANCHMSA-N 0 1 405.336 4.368 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cccc(Cl)c1OCC(F)F)c1ccsc1 ZINC000497544843 907036192 /nfs/dbraw/zinc/03/61/92/907036192.db2.gz GHJZWYLCBANNLN-CQSZACIVSA-N 0 1 403.882 4.470 20 0 HIADMN CC(C)(C)n1cc(CN2CCC[C@@H](CCC(N)=O)C2)c(-c2ccccc2Cl)n1 ZINC000512689968 921288207 /nfs/dbraw/zinc/28/82/07/921288207.db2.gz KAVBPBPXUABEML-INIZCTEOSA-N 0 1 402.970 4.436 20 0 HIADMN Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000497593471 907074783 /nfs/dbraw/zinc/07/47/83/907074783.db2.gz COZLHVZGBSPQTR-UHFFFAOYSA-N 0 1 413.568 4.389 20 0 HIADMN O=C(Nc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000497596981 907076352 /nfs/dbraw/zinc/07/63/52/907076352.db2.gz QIRJRIDAANONMV-UXHICEINSA-N 0 1 418.459 4.404 20 0 HIADMN COc1ccc(COC[C@H](O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000497612364 907091111 /nfs/dbraw/zinc/09/11/11/907091111.db2.gz QFTJJDPZZOHJRG-VGSWGCGISA-N 0 1 415.580 4.343 20 0 HIADMN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000497627285 907105877 /nfs/dbraw/zinc/10/58/77/907105877.db2.gz HSEDHIVKMQADKO-OAHLLOKOSA-N 0 1 422.447 4.068 20 0 HIADMN C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000497629785 907110685 /nfs/dbraw/zinc/11/06/85/907110685.db2.gz YIVKNBNXZRKKMC-HNNXBMFYSA-N 0 1 404.963 4.416 20 0 HIADMN CCOc1cc(CNCC(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1O ZINC000497672231 907171801 /nfs/dbraw/zinc/17/18/01/907171801.db2.gz ZDXJQXUXYACRCS-UHFFFAOYSA-N 0 1 421.335 4.207 20 0 HIADMN CN1CCN(Cc2cccc(NC(=O)c3cc(-c4ccc(Cl)s4)on3)c2)CC1 ZINC000512747221 921300967 /nfs/dbraw/zinc/30/09/67/921300967.db2.gz CEOOTANKIQSEEL-UHFFFAOYSA-N 0 1 416.934 4.056 20 0 HIADMN COc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2OC)N2CCCCC2)cc1 ZINC000497700715 907203544 /nfs/dbraw/zinc/20/35/44/907203544.db2.gz DPOORLDPPNMYPD-QFIPXVFZSA-N 0 1 410.558 4.325 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)N2CCCC2)c1 ZINC000497704076 907208259 /nfs/dbraw/zinc/20/82/59/907208259.db2.gz CXMUDCDMCAWVBR-JOCHJYFZSA-N 0 1 424.932 4.306 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2ccc(-n3ccc(C)n3)cc2)N2CCCCC2)cc1 ZINC000497710556 907214112 /nfs/dbraw/zinc/21/41/12/907214112.db2.gz LAVWRMMEHOSHMD-DEOSSOPVSA-N 0 1 418.541 4.146 20 0 HIADMN CC(C)(C)c1ccc(OCCCN2CCc3c(cccc3NS(C)(=O)=O)C2)cc1 ZINC000497729314 907228282 /nfs/dbraw/zinc/22/82/82/907228282.db2.gz BGVCVOJBPGTXHN-UHFFFAOYSA-N 0 1 416.587 4.183 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)c(OCC(F)(F)F)c1 ZINC000512808006 921315981 /nfs/dbraw/zinc/31/59/81/921315981.db2.gz MLVGUTXBZGFQOZ-UHFFFAOYSA-N 0 1 424.238 4.499 20 0 HIADMN CN1CCN(c2ccc(CNC(=O)CC3(CCc4ccccc4)CCCC3)cn2)CC1 ZINC000497866558 907344762 /nfs/dbraw/zinc/34/47/62/907344762.db2.gz FLGZSFPSHAMFTC-UHFFFAOYSA-N 0 1 420.601 4.033 20 0 HIADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(OCC(F)(F)F)c2ccccc2n1 ZINC000497875642 907350476 /nfs/dbraw/zinc/35/04/76/907350476.db2.gz OVJBANWIIXVQKV-UHFFFAOYSA-N 0 1 400.307 4.397 20 0 HIADMN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000497937802 907403244 /nfs/dbraw/zinc/40/32/44/907403244.db2.gz WROXWJSVLUTCEO-AWEZNQCLSA-N 0 1 416.934 4.057 20 0 HIADMN Cc1cccc2nc(CNC(=O)N[C@@H](C)c3cccc(OCc4ccccn4)c3)[nH]c21 ZINC000497942670 907409319 /nfs/dbraw/zinc/40/93/19/907409319.db2.gz BPYHAIXAAVFEMM-KRWDZBQOSA-N 0 1 415.497 4.406 20 0 HIADMN Cc1cccc2nc(CNC(=O)N[C@H](C)c3cccc(OCc4ccccn4)c3)[nH]c21 ZINC000497942671 907410240 /nfs/dbraw/zinc/41/02/40/907410240.db2.gz BPYHAIXAAVFEMM-QGZVFWFLSA-N 0 1 415.497 4.406 20 0 HIADMN COc1ccc2[nH]cc(C3CCN(C(=O)NCc4nc5cccc(C)c5[nH]4)CC3)c2c1 ZINC000497942987 907410372 /nfs/dbraw/zinc/41/03/72/907410372.db2.gz DFTQEQZPVSIVFY-UHFFFAOYSA-N 0 1 417.513 4.450 20 0 HIADMN Cc1cccc2nc(CNC(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)[nH]c21 ZINC000497945035 907412656 /nfs/dbraw/zinc/41/26/56/907412656.db2.gz SVZMSOISDMWRSQ-MRXNPFEDSA-N 0 1 400.429 4.350 20 0 HIADMN Cc1cccc2nc(CNC(=O)N3CCC[C@H](c4nc5c(s4)CCCC5)C3)[nH]c21 ZINC000497982766 907459671 /nfs/dbraw/zinc/45/96/71/907459671.db2.gz MVTTXFHPKJQCEM-HNNXBMFYSA-N 0 1 409.559 4.296 20 0 HIADMN Cc1cccc(-n2ncc(C(=O)NC[C@H](c3ccsc3)N(C)C)c2C(F)(F)F)c1 ZINC000497983496 907460071 /nfs/dbraw/zinc/46/00/71/907460071.db2.gz NHCVMOLUDGCSNN-QGZVFWFLSA-N 0 1 422.476 4.294 20 0 HIADMN COc1ccc([C@H](CNC(=O)COc2ccccc2C(F)(F)F)N2CCCC2)cc1 ZINC000497984294 907461338 /nfs/dbraw/zinc/46/13/38/907461338.db2.gz SHNDPQVPKKIDOH-IBGZPJMESA-N 0 1 422.447 4.046 20 0 HIADMN CN(C)[C@H](CNC(=O)CSCc1ccc(Br)cc1)c1ccsc1 ZINC000497987031 907464237 /nfs/dbraw/zinc/46/42/37/907464237.db2.gz STHCDSSLJNQSJH-MRXNPFEDSA-N 0 1 413.406 4.163 20 0 HIADMN CC(C)Oc1cc(Br)ccc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000497986703 907464807 /nfs/dbraw/zinc/46/48/07/907464807.db2.gz PHMKRHVQNUUSSL-INIZCTEOSA-N 0 1 411.365 4.331 20 0 HIADMN Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C)ccc3Br)cc2)n[nH]1 ZINC000498019670 907515581 /nfs/dbraw/zinc/51/55/81/907515581.db2.gz CFEMDAMPIOMXCA-UHFFFAOYSA-N 0 1 422.304 4.382 20 0 HIADMN COCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000512825444 921329787 /nfs/dbraw/zinc/32/97/87/921329787.db2.gz DTDSYHMXCGFBDA-UHFFFAOYSA-N 0 1 409.813 4.185 20 0 HIADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)c1 ZINC000498026942 907525999 /nfs/dbraw/zinc/52/59/99/907525999.db2.gz ROJIOJINMUDGAZ-UHFFFAOYSA-N 0 1 408.321 4.489 20 0 HIADMN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCCCN1CCc2ccccc2C1 ZINC000498026701 907526641 /nfs/dbraw/zinc/52/66/41/907526641.db2.gz QJENXGDVYLTGIS-UHFFFAOYSA-N 0 1 404.554 4.093 20 0 HIADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000498034134 907538613 /nfs/dbraw/zinc/53/86/13/907538613.db2.gz QZHTTYQACMUFBN-OAHLLOKOSA-N 0 1 406.935 4.464 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)N2CCCC2)c1 ZINC000498046055 907555299 /nfs/dbraw/zinc/55/52/99/907555299.db2.gz KGMFYSVVPUKYFI-QRWLVFNGSA-N 0 1 420.912 4.208 20 0 HIADMN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000498068820 907578078 /nfs/dbraw/zinc/57/80/78/907578078.db2.gz XPQINTRNQPYBEJ-NQIIRXRSSA-N 0 1 401.551 4.035 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000498084791 907594905 /nfs/dbraw/zinc/59/49/05/907594905.db2.gz MNOSHBGHPBXOFI-MRXNPFEDSA-N 0 1 416.524 4.258 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1OCc1ccccc1 ZINC000498116401 907628791 /nfs/dbraw/zinc/62/87/91/907628791.db2.gz YNLLRCUITIGZDP-MSOLQXFVSA-N 0 1 417.509 4.042 20 0 HIADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@@H]1c1ccccc1 ZINC000512835514 921338980 /nfs/dbraw/zinc/33/89/80/921338980.db2.gz VPBUFFHTUFEFAQ-WOJBJXKFSA-N 0 1 403.448 4.436 20 0 HIADMN CN(Cc1ccccc1F)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512838724 921342566 /nfs/dbraw/zinc/34/25/66/921342566.db2.gz OQKYKXFDXUOQMR-SFHVURJKSA-N 0 1 409.427 4.260 20 0 HIADMN CSc1cccc([C@H](NC(=O)N[C@H](C)c2n[nH]c(C)n2)c2ccc(F)c(F)c2)c1 ZINC000498272113 907808533 /nfs/dbraw/zinc/80/85/33/907808533.db2.gz MLNBGEFDVVSRGV-ZMZPIMSZSA-N 0 1 417.485 4.263 20 0 HIADMN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000498271624 907808767 /nfs/dbraw/zinc/80/87/67/907808767.db2.gz WOJUAKAKGSZESO-HOTGVXAUSA-N 0 1 415.603 4.288 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc4ccccc4c3)cc2)C[C@@H](C)O1 ZINC000498271327 907809163 /nfs/dbraw/zinc/80/91/63/907809163.db2.gz UBAXUCLLINBRBG-WOJBJXKFSA-N 0 1 402.538 4.308 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCSc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000498282560 907816934 /nfs/dbraw/zinc/81/69/34/907816934.db2.gz LFEUVYHRPACWBL-HDICACEKSA-N 0 1 416.562 4.234 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(Br)s3)cc2)C[C@H](C)O1 ZINC000498283389 907818158 /nfs/dbraw/zinc/81/81/58/907818158.db2.gz QIGYYALLUVRPRE-OKILXGFUSA-N 0 1 423.376 4.050 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3cc4ccccc4o3)cc2)C[C@H](C)O1 ZINC000498288780 907820558 /nfs/dbraw/zinc/82/05/58/907820558.db2.gz SDQCAAJEWXVXAR-KDURUIRLSA-N 0 1 406.526 4.291 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(OC(F)F)c(F)c3)CCN2C2CC2)c1 ZINC000498290439 907821710 /nfs/dbraw/zinc/82/17/10/907821710.db2.gz IDPQPMVAWGSDRG-AZUAARDMSA-N 0 1 420.431 4.144 20 0 HIADMN Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000498293975 907824049 /nfs/dbraw/zinc/82/40/49/907824049.db2.gz HLFBBECEFUWINU-HDICACEKSA-N 0 1 419.525 4.189 20 0 HIADMN CCCOc1c(Br)cc(CN[C@H](CC)[C@@H](O)C(F)(F)F)cc1OC ZINC000498356234 907855687 /nfs/dbraw/zinc/85/56/87/907855687.db2.gz ZWMWMSIJFXPNDR-IUODEOHRSA-N 0 1 414.262 4.038 20 0 HIADMN C[C@@H]1CCc2nc(CNC[C@H](c3ccc(Cl)cc3)N3CCOCC3)sc2C1 ZINC000498359769 907857167 /nfs/dbraw/zinc/85/71/67/907857167.db2.gz SGOKOYLJBKSNHM-DNVCBOLYSA-N 0 1 405.995 4.084 20 0 HIADMN CN1CCO[C@H]([C@H](NCc2ccc(Br)cc2)c2ccc(Cl)cc2)C1 ZINC000498360169 907857426 /nfs/dbraw/zinc/85/74/26/907857426.db2.gz XKXCYTQFAKOZQZ-RBUKOAKNSA-N 0 1 409.755 4.264 20 0 HIADMN CC[C@H](NCc1cnc(-c2ccc(Br)cc2)s1)[C@H](O)C(F)(F)F ZINC000498362647 907857901 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O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541132013 939472551 /nfs/dbraw/zinc/47/25/51/939472551.db2.gz FDEHROOFHSFOKC-IBGZPJMESA-N 0 1 419.378 4.448 20 0 HIADMN C[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)c2ccccc2C(=O)N1 ZINC000541270853 939488598 /nfs/dbraw/zinc/48/85/98/939488598.db2.gz TTZFBMBTFUEDNS-LJQANCHMSA-N 0 1 413.521 4.097 20 0 HIADMN Brc1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)c2ncccc12 ZINC000541329443 939491087 /nfs/dbraw/zinc/49/10/87/939491087.db2.gz CKXWCRVXDOSUHJ-HNNXBMFYSA-N 0 1 405.336 4.015 20 0 HIADMN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cnc(C)[nH]c2=O)cc1 ZINC000541380427 939501508 /nfs/dbraw/zinc/50/15/08/939501508.db2.gz OLMYRGUNSPFLAO-UHFFFAOYSA-N 0 1 413.525 4.255 20 0 HIADMN CCN(CC)C(=O)c1ccc(NC(=O)CN2CC[C@H](c3cc(C)cc(C)c3)C2)cc1 ZINC000541390317 939503535 /nfs/dbraw/zinc/50/35/35/939503535.db2.gz PXINAKYYFHULFY-NRFANRHFSA-N 0 1 407.558 4.213 20 0 HIADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cnn(CCC(F)(F)F)c1 ZINC000541434756 939515251 /nfs/dbraw/zinc/51/52/51/939515251.db2.gz WOFUVTAWFYTQAQ-IBGZPJMESA-N 0 1 413.403 4.231 20 0 HIADMN O=C(NCCSc1ccccc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000541450050 939519371 /nfs/dbraw/zinc/51/93/71/939519371.db2.gz JXSCVGLAMIDLGG-SFHVURJKSA-N 0 1 407.543 4.153 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)Nc1ccc(SC)cn1)N1CCCCC1 ZINC000541468424 939528274 /nfs/dbraw/zinc/52/82/74/939528274.db2.gz JXKXYRCKNJNUSX-SFHVURJKSA-N 0 1 400.548 4.161 20 0 HIADMN COc1cc(CN(C)C(=O)c2cccc(CN(C)Cc3ccccc3)c2)ccc1O ZINC000541473712 939529822 /nfs/dbraw/zinc/52/98/22/939529822.db2.gz KZYVKXXCGPIVNC-UHFFFAOYSA-N 0 1 404.510 4.305 20 0 HIADMN C[C@H](NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cccc(F)c1F ZINC000541482531 939532871 /nfs/dbraw/zinc/53/28/71/939532871.db2.gz LXNZQQKCJPCCBB-HOCLYGCPSA-N 0 1 411.456 4.400 20 0 HIADMN O=C(NCc1ccc2ccccc2n1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000541485255 939533313 /nfs/dbraw/zinc/53/33/13/939533313.db2.gz RRPZAPIPUHUUBW-IBGZPJMESA-N 0 1 418.545 4.490 20 0 HIADMN Cc1ccc2nc(CNC(=O)N3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)[nH]c2c1 ZINC000541505333 939538829 /nfs/dbraw/zinc/53/88/29/939538829.db2.gz DHAKPNYCAZPADY-KRWDZBQOSA-N 0 1 421.549 4.126 20 0 HIADMN COc1ccc(CCCC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000541546714 939550588 /nfs/dbraw/zinc/55/05/88/939550588.db2.gz XKYOMWRNYMZKQW-LJQANCHMSA-N 0 1 418.419 4.061 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000541546907 939551169 /nfs/dbraw/zinc/55/11/69/939551169.db2.gz KSXZPAZISAVPGF-PBFPGSCMSA-N 0 1 422.357 4.111 20 0 HIADMN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCCCc1cn[nH]n1 ZINC000541559453 939555150 /nfs/dbraw/zinc/55/51/50/939555150.db2.gz SBCDIKUUQSQBKN-UHFFFAOYSA-N 0 1 414.513 4.029 20 0 HIADMN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)C1 ZINC000541565678 939556478 /nfs/dbraw/zinc/55/64/78/939556478.db2.gz JLPRCQILSDAGKW-XJUOHMSHSA-N 0 1 412.530 4.409 20 0 HIADMN Cc1c([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cnn1-c1cccc(Cl)c1 ZINC000541568251 939556866 /nfs/dbraw/zinc/55/68/66/939556866.db2.gz IORDUEWDGRZLDB-KSFYIVLOSA-N 0 1 423.948 4.071 20 0 HIADMN Fc1ccc(-c2noc(CCCN[C@H](c3ccc(F)cc3)c3cnccn3)n2)cc1 ZINC000541569793 939557431 /nfs/dbraw/zinc/55/74/31/939557431.db2.gz PIBLQXNTMVTPTR-OAQYLSRUSA-N 0 1 407.424 4.117 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccco1 ZINC000541575552 939558928 /nfs/dbraw/zinc/55/89/28/939558928.db2.gz RGIJMTOQNACWLG-SFHVURJKSA-N 0 1 401.507 4.284 20 0 HIADMN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cc(C)sc2C)c(OC)c1 ZINC000541580639 939559758 /nfs/dbraw/zinc/55/97/58/939559758.db2.gz VWEHKBRIGLOXDZ-QRWLVFNGSA-N 0 1 402.560 4.396 20 0 HIADMN O=C(CN[C@H](c1cccnc1)C1CC1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000541587401 939561188 /nfs/dbraw/zinc/56/11/88/939561188.db2.gz HUQFXRMESQXDCZ-GCJKJVERSA-N 0 1 406.511 4.155 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000541600750 939564397 /nfs/dbraw/zinc/56/43/97/939564397.db2.gz UQAPKPFZIUWMFC-PWSUYJOCSA-N 0 1 402.848 4.393 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000541601764 939565452 /nfs/dbraw/zinc/56/54/52/939565452.db2.gz PABRBFBDDUUNHI-XHDPSFHLSA-N 0 1 414.859 4.172 20 0 HIADMN CC(C)[C@@H](NC[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1nnc2ccccn21 ZINC000541611038 939569549 /nfs/dbraw/zinc/56/95/49/939569549.db2.gz DJPZGMMTZJQOIN-ZJSXRUAMSA-N 0 1 416.525 4.123 20 0 HIADMN CC[C@H](C)NC(=O)CN[C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000541644003 939584763 /nfs/dbraw/zinc/58/47/63/939584763.db2.gz CHXRCVFGKUYJIP-RYUDHWBXSA-N 0 1 410.381 4.446 20 0 HIADMN CC(C)n1cc([C@H](C)NCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cn1 ZINC000541645222 939585099 /nfs/dbraw/zinc/58/50/99/939585099.db2.gz WTRPWVFCBVARFG-SBUREZEXSA-N 0 1 408.571 4.350 20 0 HIADMN COc1ccc2oc([C@H](C)NCC(=O)NCCc3c(F)cccc3F)c(C)c2c1 ZINC000541656081 939590162 /nfs/dbraw/zinc/59/01/62/939590162.db2.gz LMGJRVFCQJZZBI-AWEZNQCLSA-N 0 1 402.441 4.038 20 0 HIADMN CCOc1cccc(CNC(=O)CN[C@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000541659809 939592389 /nfs/dbraw/zinc/59/23/89/939592389.db2.gz SFIJCPWCQYLXQA-MRXNPFEDSA-N 0 1 409.555 4.484 20 0 HIADMN C[C@H](NCc1nnc(-c2ccc(Br)o2)o1)[C@H]1Oc2ccccc2[C@H]1C ZINC000541684275 939600997 /nfs/dbraw/zinc/60/09/97/939600997.db2.gz LUZIBTKFSGSZRY-RLFDGXBXSA-N 0 1 404.264 4.135 20 0 HIADMN C[C@H](NCc1nnc(-c2ccc(Br)o2)o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541684276 939601163 /nfs/dbraw/zinc/60/11/63/939601163.db2.gz LUZIBTKFSGSZRY-VGTOOOLASA-N 0 1 404.264 4.135 20 0 HIADMN CN(CC(=O)Nc1ccccc1Br)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700630 939608726 /nfs/dbraw/zinc/60/87/26/939608726.db2.gz VMFUQYMONYYZFB-APWZRJJASA-N 0 1 421.310 4.379 20 0 HIADMN CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541701984 939609559 /nfs/dbraw/zinc/60/95/59/939609559.db2.gz IXMGJTMPRVRYAJ-QFBILLFUSA-N 0 1 401.869 4.480 20 0 HIADMN C[C@@H]1[N@@H+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CCC12CCOCC2 ZINC000541718489 939613700 /nfs/dbraw/zinc/61/37/00/939613700.db2.gz PCKOWWVPUMYSCW-AWEZNQCLSA-N 0 1 413.518 4.182 20 0 HIADMN C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000541734821 939616472 /nfs/dbraw/zinc/61/64/72/939616472.db2.gz NVCSDKWQNJQEEH-HUUCEWRRSA-N 0 1 401.450 4.141 20 0 HIADMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)CCN1C ZINC000541733996 939616613 /nfs/dbraw/zinc/61/66/13/939616613.db2.gz KLVZKHSAQXWXKM-KGLIPLIRSA-N 0 1 408.424 4.449 20 0 HIADMN CCn1cc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC000541762481 939623603 /nfs/dbraw/zinc/62/36/03/939623603.db2.gz QIECOGPFXNMSAF-APWZRJJASA-N 0 1 423.944 4.240 20 0 HIADMN Brc1ccc2nc(CSc3nccn3Cc3ccccn3)[nH]c2c1 ZINC000541782163 939628873 /nfs/dbraw/zinc/62/88/73/939628873.db2.gz ZQAWMOQMOHRCEW-UHFFFAOYSA-N 0 1 400.305 4.258 20 0 HIADMN O=C(Nc1ccn(CCc2ccncc2)n1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000541843446 939646131 /nfs/dbraw/zinc/64/61/31/939646131.db2.gz SFNWQOJJMKKTEM-UHFFFAOYSA-N 0 1 414.494 4.378 20 0 HIADMN Cc1cc2c(cc1NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)OCO2 ZINC000541907014 939651062 /nfs/dbraw/zinc/65/10/62/939651062.db2.gz WOBAWZZLARCWES-VLIAUNLRSA-N 0 1 419.884 4.331 20 0 HIADMN CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)CCO1 ZINC000541942692 939659143 /nfs/dbraw/zinc/65/91/43/939659143.db2.gz AIXXAWKISRBPDD-LAUBAEHRSA-N 0 1 416.543 4.267 20 0 HIADMN CCN(CC)C(=O)CCC1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000542018421 939688035 /nfs/dbraw/zinc/68/80/35/939688035.db2.gz XHQUHXFFWXNNLD-VQTJNVASSA-N 0 1 413.606 4.103 20 0 HIADMN C[C@@H](CCc1cccc(F)c1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000542130940 939723475 /nfs/dbraw/zinc/72/34/75/939723475.db2.gz AKXJWDLPYXWMPC-KRWDZBQOSA-N 0 1 403.929 4.057 20 0 HIADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)NCc1ncc(CC)s1 ZINC000542137029 939726193 /nfs/dbraw/zinc/72/61/93/939726193.db2.gz ZRRPOAPJDOUKPN-LLVKDONJSA-N 0 1 409.577 4.067 20 0 HIADMN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H](c2cccc(C)c2)c2ccccn2)c1 ZINC000542144580 939729794 /nfs/dbraw/zinc/72/97/94/939729794.db2.gz FEWKQBSHFJFBPB-MHECFPHRSA-N 0 1 417.509 4.273 20 0 HIADMN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cn(-c3ccncc3)nc2C)cc1 ZINC000542187535 939749454 /nfs/dbraw/zinc/74/94/54/939749454.db2.gz BHDNARWROFNXJZ-HSZRJFAPSA-N 0 1 411.465 4.355 20 0 HIADMN COc1cc([C@@H](C)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)ccc1OC(C)C ZINC000542230787 939766094 /nfs/dbraw/zinc/76/60/94/939766094.db2.gz GJZQSNSWCRFEDD-KDOFPFPSSA-N 0 1 424.463 4.248 20 0 HIADMN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000542264831 939777536 /nfs/dbraw/zinc/77/75/36/939777536.db2.gz LNQODPOOMVLVKS-PWRODBHTSA-N 0 1 418.459 4.389 20 0 HIADMN C[C@@H](CN(C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1nccs1 ZINC000542269721 939779068 /nfs/dbraw/zinc/77/90/68/939779068.db2.gz OCJYFJVBRAQEGS-INIZCTEOSA-N 0 1 421.010 4.454 20 0 HIADMN CN(CCc1ccccc1O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000542323121 939800392 /nfs/dbraw/zinc/80/03/92/939800392.db2.gz PPCMCIQBLKAUHZ-LJQANCHMSA-N 0 1 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/nfs/dbraw/zinc/34/53/67/947345367.db2.gz GXGOVFHQCCWGJU-LJQANCHMSA-N 0 1 419.569 4.484 20 0 HIADMN C[C@H](NC[C@H](O)COCc1ccccc1Cl)c1nc2ccccc2n1C(F)F ZINC000570783795 947356243 /nfs/dbraw/zinc/35/62/43/947356243.db2.gz MFRWCBNJXVCBDX-ZFWWWQNUSA-N 0 1 409.864 4.313 20 0 HIADMN Cc1ccc([C@H](CCn2cncn2)NCc2ccncc2OCc2ccccc2)cc1 ZINC000570820746 947362244 /nfs/dbraw/zinc/36/22/44/947362244.db2.gz XFPXTJXTYOGJTI-DEOSSOPVSA-N 0 1 413.525 4.482 20 0 HIADMN CCOC(=O)c1ccn(-c2cccc(CNCc3nc(-c4ccccc4)cs3)c2)n1 ZINC000570886570 947383898 /nfs/dbraw/zinc/38/38/98/947383898.db2.gz YOMNXGQYEVSHAO-UHFFFAOYSA-N 0 1 418.522 4.462 20 0 HIADMN CCN(C(=O)c1cccc2c[nH]nc21)c1ccc(NC(=O)c2cccc3c[nH]nc32)cc1 ZINC000571001917 947422735 /nfs/dbraw/zinc/42/27/35/947422735.db2.gz CUBSQHFDGSJAIW-UHFFFAOYSA-N 0 1 424.464 4.358 20 0 HIADMN CCN(C(=O)c1cccc2cn[nH]c21)c1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000571001917 947422767 /nfs/dbraw/zinc/42/27/67/947422767.db2.gz CUBSQHFDGSJAIW-UHFFFAOYSA-N 0 1 424.464 4.358 20 0 HIADMN CCN(C(=O)c1cccc2c[nH]nc21)c1ccc(NC(=O)c2cccc3cn[nH]c32)cc1 ZINC000571001917 947422789 /nfs/dbraw/zinc/42/27/89/947422789.db2.gz CUBSQHFDGSJAIW-UHFFFAOYSA-N 0 1 424.464 4.358 20 0 HIADMN C[C@H](NCC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc(Oc2cccnc2)cc1 ZINC000571083570 947481216 /nfs/dbraw/zinc/48/12/16/947481216.db2.gz FHWRLYHZZDWDEA-YDHSSHFGSA-N 0 1 411.546 4.236 20 0 HIADMN COc1cccc(CNC[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)c1OC ZINC000571107534 947501362 /nfs/dbraw/zinc/50/13/62/947501362.db2.gz KTEAFGKXVTUSPL-QGZVFWFLSA-N 0 1 407.938 4.319 20 0 HIADMN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000571126267 947520760 /nfs/dbraw/zinc/52/07/60/947520760.db2.gz YGEVGYQAOZOHTA-CYBMUJFWSA-N 0 1 423.273 4.228 20 0 HIADMN C[C@H](Cc1cncc2ccccc21)c1nc(-c2ccccc2N2CCN(C)CC2)no1 ZINC000571190834 947537899 /nfs/dbraw/zinc/53/78/99/947537899.db2.gz BKFWVVZWLVYZCM-GOSISDBHSA-N 0 1 413.525 4.383 20 0 HIADMN COC(C)(C)c1nc(C)c(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)s1 ZINC000571250402 947569626 /nfs/dbraw/zinc/56/96/26/947569626.db2.gz RAWJEPKJSHDNFI-JOCHJYFZSA-N 0 1 401.576 4.118 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N[C@@H](CO)c1ccccc1 ZINC000571291632 947580437 /nfs/dbraw/zinc/58/04/37/947580437.db2.gz JMBGPIYTHRTLLG-AWEZNQCLSA-N 0 1 414.334 4.072 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3c(C)nn(Cc4ccc(Cl)cc4)c3C)c2C)o1 ZINC000571372403 947628682 /nfs/dbraw/zinc/62/86/82/947628682.db2.gz XCRACOODFRIIGL-UHFFFAOYSA-N 0 1 423.904 5.054 20 0 HIADMN O=C(NC1(c2noc(-c3ccc4[nH]c(C(F)F)nc4c3)n2)CCC1)c1ccccc1 ZINC000571446033 947650799 /nfs/dbraw/zinc/65/07/99/947650799.db2.gz FWVRAQADMWCOLT-UHFFFAOYSA-N 0 1 409.396 4.360 20 0 HIADMN CCOC(=O)c1ccn(-c2cccc(CNCc3nc4ccc(F)cc4s3)c2)n1 ZINC000571483607 947671590 /nfs/dbraw/zinc/67/15/90/947671590.db2.gz HFCCLLFTVAJXCU-UHFFFAOYSA-N 0 1 410.474 4.088 20 0 HIADMN Cc1c([C@H](C)NC[C@H]2COc3ccccc32)nnn1-c1cccc(Br)c1 ZINC000571545594 947694995 /nfs/dbraw/zinc/69/49/95/947694995.db2.gz WKKOUOWWFOOGKB-ZFWWWQNUSA-N 0 1 413.319 4.165 20 0 HIADMN Cc1nc([C@H](C)NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)n[nH]1 ZINC000571548540 947697090 /nfs/dbraw/zinc/69/70/90/947697090.db2.gz OFYHTHOCQVIIST-APPDUMDISA-N 0 1 405.285 4.417 20 0 HIADMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000571686703 947746892 /nfs/dbraw/zinc/74/68/92/947746892.db2.gz DXCJKMAVXSGICB-LJQANCHMSA-N 0 1 419.550 4.037 20 0 HIADMN Cc1cc(C2CCN(C(=O)C(C)(C)c3ccc(Br)c(C)c3)CC2)n[nH]1 ZINC000571695727 947752251 /nfs/dbraw/zinc/75/22/51/947752251.db2.gz NVUYGIWBYXLWPN-UHFFFAOYSA-N 0 1 404.352 4.473 20 0 HIADMN FC(F)(F)c1ccc(-c2noc(CN3CCCN4c5ccccc5C[C@@H]4C3)n2)cc1 ZINC000571843706 947802875 /nfs/dbraw/zinc/80/28/75/947802875.db2.gz HMSAZKRMTIULTR-GOSISDBHSA-N 0 1 414.431 4.392 20 0 HIADMN C[C@@H](c1ccccc1F)N1CCC[C@@H](NCc2cnc(-c3ccncc3)s2)C1=O ZINC000571900391 947808180 /nfs/dbraw/zinc/80/81/80/947808180.db2.gz GRMIXAASJIUGAJ-MGPUTAFESA-N 0 1 410.518 4.186 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@H](OC(C)(C)C)c2ccccc2)c1 ZINC000571911256 947810183 /nfs/dbraw/zinc/81/01/83/947810183.db2.gz HXHNVUCHAWZQHN-JOCHJYFZSA-N 0 1 411.546 4.462 20 0 HIADMN Cc1[nH]c(SCC(=O)N2Cc3ccccc3O[C@@H](C)C2)nc1Cc1ccccc1 ZINC000571949987 947819668 /nfs/dbraw/zinc/81/96/68/947819668.db2.gz UXNGSEDTIQEZSM-INIZCTEOSA-N 0 1 407.539 4.211 20 0 HIADMN Cc1ncc2n1CC[C@H](c1nc(-c3cccc(Cn4cnc5ccccc54)c3)no1)C2 ZINC000571967057 947825106 /nfs/dbraw/zinc/82/51/06/947825106.db2.gz KIFNYZWNCXBPSW-IBGZPJMESA-N 0 1 410.481 4.370 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000572088634 947844518 /nfs/dbraw/zinc/84/45/18/947844518.db2.gz LURBHZCLCYMPKU-SAABIXHNSA-N 0 1 417.351 4.316 20 0 HIADMN Cc1ccc(CN2CC[C@@H](N[C@H]3CCc4sc(Br)cc43)C2=O)cc1 ZINC000572141071 947849556 /nfs/dbraw/zinc/84/95/56/947849556.db2.gz OXHWFYASOVPUAP-JKSUJKDBSA-N 0 1 405.361 4.197 20 0 HIADMN COCC[C@@H](NCC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000572264142 947871091 /nfs/dbraw/zinc/87/10/91/947871091.db2.gz AFODHKQPVZFVKA-LJQANCHMSA-N 0 1 424.328 4.258 20 0 HIADMN Cc1cc2cc(-c3nc([C@H]4CN5CCC[C@]5(C)CO4)no3)oc2c(Br)c1 ZINC000572285291 947875715 /nfs/dbraw/zinc/87/57/15/947875715.db2.gz HBHBJGHOBXSSNM-DNVCBOLYSA-N 0 1 418.291 4.480 20 0 HIADMN CCc1c(-c2nc(-c3ccc4[nH]cnc4c3)no2)nnn1-c1ccc(OC(C)C)cc1 ZINC000572351219 947889060 /nfs/dbraw/zinc/88/90/60/947889060.db2.gz MTKMSLZYWGVEIX-UHFFFAOYSA-N 0 1 415.457 4.210 20 0 HIADMN COc1cc(Cl)c(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1C ZINC000572559667 947946842 /nfs/dbraw/zinc/94/68/42/947946842.db2.gz RDLSIQTXSRLCGC-UHFFFAOYSA-N 0 1 402.926 4.361 20 0 HIADMN CCN1CCN(c2ccc(-c3noc([C@@H](C)Cn4ccc5ccccc54)n3)cn2)CC1 ZINC000572561580 947947985 /nfs/dbraw/zinc/94/79/85/947947985.db2.gz IRRSETDUIYOZMY-SFHVURJKSA-N 0 1 416.529 4.032 20 0 HIADMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C ZINC000572624345 947959076 /nfs/dbraw/zinc/95/90/76/947959076.db2.gz FLQOTPIVYJRVHI-UHFFFAOYSA-N 0 1 401.442 4.447 20 0 HIADMN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000572655239 947969451 /nfs/dbraw/zinc/96/94/51/947969451.db2.gz WNVYCPTWXCJRAL-UHFFFAOYSA-N 0 1 413.699 4.006 20 0 HIADMN C[C@H](c1ccccc1F)N1CCC[C@@H](N[C@@H](C)c2cccc(N3CCCC3=O)c2)C1=O ZINC000572667262 947973618 /nfs/dbraw/zinc/97/36/18/947973618.db2.gz OGUXKJXQFGLWGN-YZZKKUAISA-N 0 1 423.532 4.355 20 0 HIADMN CC1(C)Cc2cc(C(=O)N3CCC[C@H](c4n[nH]c(=O)o4)C3)sc2-c2ccccc21 ZINC000572682820 947982710 /nfs/dbraw/zinc/98/27/10/947982710.db2.gz XEPARBBKUULJQJ-ZDUSSCGKSA-N 0 1 409.511 4.357 20 0 HIADMN CCN(Cc1ncc(Br)cc1Br)[C@H]1CCOC(C)(C)C1 ZINC000572688417 947988023 /nfs/dbraw/zinc/98/80/23/947988023.db2.gz KPEMZWFCJDXXQX-LBPRGKRZSA-N 0 1 406.162 4.386 20 0 HIADMN CN1CCC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC(=O)C2)[C@@H]1c1cccs1 ZINC000573172369 948101449 /nfs/dbraw/zinc/10/14/49/948101449.db2.gz VTDYVWNNMJITJG-MGPUTAFESA-N 0 1 416.974 4.202 20 0 HIADMN Cc1ccc(-c2cc(NC(=O)Nc3ccc(C(=O)N4CCCC[C@@H]4C)cc3)[nH]n2)o1 ZINC000573227447 948112028 /nfs/dbraw/zinc/11/20/28/948112028.db2.gz NXXJRXKHNGMCGF-AWEZNQCLSA-N 0 1 407.474 4.637 20 0 HIADMN CCOc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc(Cl)c1[O-] ZINC000573239337 948117636 /nfs/dbraw/zinc/11/76/36/948117636.db2.gz JCUCMOSHGBCPFE-HNNXBMFYSA-N 0 1 422.978 4.408 20 0 HIADMN CCOc1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc(Cl)c1[O-] ZINC000573239337 948117651 /nfs/dbraw/zinc/11/76/51/948117651.db2.gz JCUCMOSHGBCPFE-HNNXBMFYSA-N 0 1 422.978 4.408 20 0 HIADMN O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000573390193 948177338 /nfs/dbraw/zinc/17/73/38/948177338.db2.gz ACBVRTWHXAIUKG-IBGZPJMESA-N 0 1 403.482 4.075 20 0 HIADMN O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000573390193 948177366 /nfs/dbraw/zinc/17/73/66/948177366.db2.gz ACBVRTWHXAIUKG-IBGZPJMESA-N 0 1 403.482 4.075 20 0 HIADMN Cc1cc(=O)[nH]c2cc(C(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)ccc12 ZINC000573487061 948215860 /nfs/dbraw/zinc/21/58/60/948215860.db2.gz YIYJDNQIQRVDAJ-NRFANRHFSA-N 0 1 409.917 4.469 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)c1ccc2c(C)cc(=O)[nH]c2c1)N1CCCCC1 ZINC000573501457 948220383 /nfs/dbraw/zinc/22/03/83/948220383.db2.gz ONNVGIKKMOLTQC-QFIPXVFZSA-N 0 1 419.525 4.214 20 0 HIADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)N(Cc1ccco1)Cc1ccccc1 ZINC000573584816 948242434 /nfs/dbraw/zinc/24/24/34/948242434.db2.gz QBDLNAZYAYKUSX-UHFFFAOYSA-N 0 1 418.522 4.310 20 0 HIADMN CC(C)(C)N1CC[C@@](F)(c2nc(-c3ccccc3I)no2)C1 ZINC000573732927 948284347 /nfs/dbraw/zinc/28/43/47/948284347.db2.gz GVRXGFPRZZVQMK-INIZCTEOSA-N 0 1 415.250 4.010 20 0 HIADMN Cc1nc(C)c(CN2CC(CN3CC(C)(C)c4cc(-c5cnn(C)c5)ccc43)C2)s1 ZINC000573743647 948286393 /nfs/dbraw/zinc/28/63/93/948286393.db2.gz WHGLROLGJZSAIK-UHFFFAOYSA-N 0 1 421.614 4.390 20 0 HIADMN CC[C@@H](C(=O)N[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1)N(C)Cc1ccccc1 ZINC000573768533 948294224 /nfs/dbraw/zinc/29/42/24/948294224.db2.gz XMRHSJLXIDFPFE-JXFKEZNVSA-N 0 1 410.493 4.272 20 0 HIADMN CC(C)(C)N1CC[C@H](NCc2ncnn2CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573937809 948328200 /nfs/dbraw/zinc/32/82/00/948328200.db2.gz UIZWEOIPSNCTLT-YJBOKZPZSA-N 0 1 415.891 4.039 20 0 HIADMN CN1CCN(c2ccccc2-c2noc(-c3ncoc3-c3ccccc3Cl)n2)CC1 ZINC000573960063 948334718 /nfs/dbraw/zinc/33/47/18/948334718.db2.gz ZVMBOGGTNVZIDH-UHFFFAOYSA-N 0 1 421.888 4.464 20 0 HIADMN CN(CCC(=O)Nc1ccccc1Oc1ccccc1)CC(=O)NCc1ccccc1 ZINC000574082770 948361421 /nfs/dbraw/zinc/36/14/21/948361421.db2.gz YFAVIKFTTSGVGB-UHFFFAOYSA-N 0 1 417.509 4.056 20 0 HIADMN COc1ccc(-c2noc([C@H](C)N[C@@H]3CCN(C)[C@@H]3c3ccc(Cl)cc3)n2)cc1 ZINC000574202425 948387122 /nfs/dbraw/zinc/38/71/22/948387122.db2.gz GLDIJEMPAKDJOH-VHKYSDTDSA-N 0 1 412.921 4.495 20 0 HIADMN COc1cccc(CN(C)CCC(=O)NC2CCCC2)c1OCc1ccccc1F ZINC000574221378 948389779 /nfs/dbraw/zinc/38/97/79/948389779.db2.gz CCYQJFBGFYUKEZ-UHFFFAOYSA-N 0 1 414.521 4.294 20 0 HIADMN C[C@@]12CCCN1C[C@@H](c1noc(-c3ccnc(Oc4ccc(F)cc4F)c3)n1)OC2 ZINC000574318561 948411326 /nfs/dbraw/zinc/41/13/26/948411326.db2.gz XLFHALVGYGFEFG-UWJYYQICSA-N 0 1 414.412 4.128 20 0 HIADMN CCC[N@@H+](C)[C@H](CNC(=O)Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000574421825 948434542 /nfs/dbraw/zinc/43/45/42/948434542.db2.gz GOJHGAQCUZPSRE-HXUWFJFHSA-N 0 1 420.912 4.087 20 0 HIADMN C[C@@H](CNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nccs1 ZINC000574441490 948443751 /nfs/dbraw/zinc/44/37/51/948443751.db2.gz QLIISLSCWAHPTH-HOCLYGCPSA-N 0 1 402.568 4.002 20 0 HIADMN CCC[C@H](N[C@@H](C)c1ccc(OC)c(O)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000574441974 948444475 /nfs/dbraw/zinc/44/44/75/948444475.db2.gz FVFBALQRAANVDK-UWJYYQICSA-N 0 1 411.546 4.459 20 0 HIADMN Cc1ccc(-c2n[n-]c(S(=O)(=O)Cc3ncc(-c4cccc(Cl)c4)o3)n2)cc1 ZINC000574479233 948453142 /nfs/dbraw/zinc/45/31/42/948453142.db2.gz OZVQXRDZTUESIJ-UHFFFAOYSA-N 0 1 414.874 4.062 20 0 HIADMN Cc1cnc(C2CCN(C(=O)NC[C@H](c3ccc(Cl)cc3)N(C)C)CC2)s1 ZINC000574508008 948462034 /nfs/dbraw/zinc/46/20/34/948462034.db2.gz PUMDEKDAGVZXOZ-GOSISDBHSA-N 0 1 406.983 4.297 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000574596597 948487329 /nfs/dbraw/zinc/48/73/29/948487329.db2.gz HYCTWIBMSJGDJU-XMMPIXPASA-N 0 1 404.554 4.350 20 0 HIADMN COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000574602899 948488385 /nfs/dbraw/zinc/48/83/85/948488385.db2.gz IFPJCMZNHJHDPF-NVXWUHKLSA-N 0 1 423.492 4.270 20 0 HIADMN COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000574602897 948488494 /nfs/dbraw/zinc/48/84/94/948488494.db2.gz IFPJCMZNHJHDPF-DOTOQJQBSA-N 0 1 423.492 4.270 20 0 HIADMN CC1(C)CN(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)[C@H]1[C@H]1CCCO1 ZINC000574746280 948520549 /nfs/dbraw/zinc/52/05/49/948520549.db2.gz PXRPGPZETGQTQZ-AQNXPRMDSA-N 0 1 405.970 4.076 20 0 HIADMN CC(C)[C@@H](CNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000574788520 948526008 /nfs/dbraw/zinc/52/60/08/948526008.db2.gz GFMPTRUOFZGDOL-FCHUYYIVSA-N 0 1 421.029 4.239 20 0 HIADMN O=C([O-])[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1ccccc1Br ZINC000575067202 948583954 /nfs/dbraw/zinc/58/39/54/948583954.db2.gz YVVXIEGPZDBYMB-AWEZNQCLSA-N 0 1 417.072 4.266 20 0 HIADMN O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1n[nH]nc1-c1ccccc1 ZINC000575333264 948646193 /nfs/dbraw/zinc/64/61/93/948646193.db2.gz FBLKNHWZHRFLKD-UHFFFAOYSA-N 0 1 413.211 4.310 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000575370171 948661546 /nfs/dbraw/zinc/66/15/46/948661546.db2.gz SUIYZGGBONJHQB-XLIONFOSSA-N 0 1 401.938 4.103 20 0 HIADMN COCc1nc(CN[C@H](C)CCc2ccc(I)cc2)cs1 ZINC000575624677 948681126 /nfs/dbraw/zinc/68/11/26/948681126.db2.gz IOLCXGDWOLJMMH-GFCCVEGCSA-N 0 1 416.328 4.005 20 0 HIADMN CN(C(=O)CN1C[C@@H](c2cnn(C)c2)C(C)(C)C1)C(c1ccccc1)c1ccccc1 ZINC000575822596 948725237 /nfs/dbraw/zinc/72/52/37/948725237.db2.gz RAQQCHPSDGVIQQ-QHCPKHFHSA-N 0 1 416.569 4.094 20 0 HIADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000575821197 948725370 /nfs/dbraw/zinc/72/53/70/948725370.db2.gz MMLGAMFMFNXIQK-HNNXBMFYSA-N 0 1 408.951 4.040 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(C)c(CC)s1 ZINC000575966622 948804628 /nfs/dbraw/zinc/80/46/28/948804628.db2.gz DMWOXGHUOMCHDY-SFHVURJKSA-N 0 1 411.571 4.472 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)CCCc1ccccc1 ZINC000575966670 948804852 /nfs/dbraw/zinc/80/48/52/948804852.db2.gz RWBOZZIVMCYCDU-JOCHJYFZSA-N 0 1 405.542 4.249 20 0 HIADMN C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)C[C@H](C)O1 ZINC000575971089 948805357 /nfs/dbraw/zinc/80/53/57/948805357.db2.gz OSXNKPJABIPKNR-AJYBTWMASA-N 0 1 417.598 4.335 20 0 HIADMN COc1ccc(C[C@](C)(O)CNCc2csc(-c3ccc(C)cc3)n2)cc1OC ZINC000575977603 948806227 /nfs/dbraw/zinc/80/62/27/948806227.db2.gz MSVQEMWUJZHLGH-QHCPKHFHSA-N 0 1 412.555 4.219 20 0 HIADMN CCN1C[C@@H](C)N(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)[C@@H](C)C1 ZINC000576023738 948812094 /nfs/dbraw/zinc/81/20/94/948812094.db2.gz ASOJCMWPLDOSCC-HDICACEKSA-N 0 1 408.571 4.181 20 0 HIADMN Clc1cc2[nH]ccc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164694864 719888953 /nfs/dbraw/zinc/88/89/53/719888953.db2.gz FVIGFFADWKVGMW-UHFFFAOYSA-N 0 1 402.951 4.149 20 0 HIADMN Clc1ccc2cc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)ncc2n1 ZINC001164697736 719893561 /nfs/dbraw/zinc/89/35/61/719893561.db2.gz OWLYGGSUBDTXAD-UHFFFAOYSA-N 0 1 414.962 4.216 20 0 HIADMN Clc1ccnc2cnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)cc12 ZINC001164696715 719894349 /nfs/dbraw/zinc/89/43/49/719894349.db2.gz HQYTVUYLNNEPJH-UHFFFAOYSA-N 0 1 414.962 4.216 20 0 HIADMN Fc1ccc(-c2cncc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n2)cc1 ZINC001164705338 719907427 /nfs/dbraw/zinc/90/74/27/719907427.db2.gz AEDCCTNEJUCKSN-UHFFFAOYSA-N 0 1 424.545 4.216 20 0 HIADMN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164735720 720448548 /nfs/dbraw/zinc/44/85/48/720448548.db2.gz XYJKVWNVJXYYLZ-QZTJIDSGSA-N 0 1 415.875 4.076 20 0 HIADMN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164733513 720456742 /nfs/dbraw/zinc/45/67/42/720456742.db2.gz PSISCZRCJQQWJO-UXHICEINSA-N 0 1 409.896 4.184 20 0 HIADMN Fc1ccc(-c2ccc(Cl)nn2)cc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164733526 720457041 /nfs/dbraw/zinc/45/70/41/720457041.db2.gz PSISCZRCJQQWJO-WOJBJXKFSA-N 0 1 409.896 4.184 20 0 HIADMN Clc1ncc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c(Oc2ccccc2)n1 ZINC001164723992 720477782 /nfs/dbraw/zinc/47/77/82/720477782.db2.gz DMJNCAPSFCBVOT-RTBURBONSA-N 0 1 407.905 4.171 20 0 HIADMN Fc1ccc(F)c2c(N3CCc4ncc(CN5CCCC5)n4CC3)cc(Cl)nc12 ZINC001164744250 720595521 /nfs/dbraw/zinc/59/55/21/720595521.db2.gz QUNKIPCXRMCGTJ-UHFFFAOYSA-N 0 1 417.891 4.021 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cccc(F)c31)[C@H]2C ZINC001164857894 720948526 /nfs/dbraw/zinc/94/85/26/720948526.db2.gz IACQXSQGSKRVAM-ZDUSSCGKSA-N 0 1 402.905 4.040 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cccc(F)c31)[C@@H]2C ZINC001164857891 720949433 /nfs/dbraw/zinc/94/94/33/720949433.db2.gz IACQXSQGSKRVAM-CYBMUJFWSA-N 0 1 402.905 4.040 20 0 HIADMN CCOC(=O)c1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc2ccccc21 ZINC001164862556 720959293 /nfs/dbraw/zinc/95/92/93/720959293.db2.gz WAWVNTJMRUBBNG-QGZVFWFLSA-N 0 1 421.545 4.029 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cccc(OCc3ccccc3)n1)[C@H]2C ZINC001164861941 720985331 /nfs/dbraw/zinc/98/53/31/720985331.db2.gz RMZQESCSQFCUHJ-IBGZPJMESA-N 0 1 405.546 4.279 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(F)cc3ncnc(Cl)c31)[C@@H]2C ZINC001164864211 720990640 /nfs/dbraw/zinc/99/06/40/720990640.db2.gz ZRBKFUWAOZEJIU-CYBMUJFWSA-N 0 1 402.905 4.040 20 0 HIADMN CCc1ccc(-c2ccc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nn2)cc1 ZINC001164857395 721010675 /nfs/dbraw/zinc/01/06/75/721010675.db2.gz DNHMBXFJFDWMLI-SFHVURJKSA-N 0 1 404.562 4.324 20 0 HIADMN Cc1cc(-c2ccccc2F)nnc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164856662 721017509 /nfs/dbraw/zinc/01/75/09/721017509.db2.gz BHLQGQZRBHGDFI-KRWDZBQOSA-N 0 1 408.525 4.209 20 0 HIADMN Cc1c(Cl)nc(C2CCC2)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164858068 721019530 /nfs/dbraw/zinc/01/95/30/721019530.db2.gz FTJGXFQLBAWNGP-OAHLLOKOSA-N 0 1 402.974 4.324 20 0 HIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)Sc1ccc(Cl)nc1)[C@H]2C ZINC001164863084 721019892 /nfs/dbraw/zinc/01/98/92/721019892.db2.gz SSSVYIDWPYJYFS-ZDUSSCGKSA-N 0 1 415.941 4.491 20 0 HIADMN CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164763809 721032559 /nfs/dbraw/zinc/03/25/59/721032559.db2.gz LHLBEBUCZLTTBG-UGKGYDQZSA-N 0 1 401.938 4.205 20 0 HIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccsc32)[C@H]2CCCO[C@@H]12 ZINC001164807794 721545910 /nfs/dbraw/zinc/54/59/10/721545910.db2.gz RIIJZSXOAGSKPE-ILZDJORESA-N 0 1 414.962 4.213 20 0 HIADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)cccc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164802974 721551556 /nfs/dbraw/zinc/55/15/56/721551556.db2.gz HAMKYDRTNGYIHJ-MQSCRBSSSA-N 0 1 408.933 4.151 20 0 HIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3c(Cl)cccc32)[C@H]2CCCO[C@@H]12 ZINC001164800818 721551730 /nfs/dbraw/zinc/55/17/30/721551730.db2.gz DSLDYSOGTYWOJM-BHDDXSALSA-N 0 1 408.933 4.151 20 0 HIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cccc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164800416 721557794 /nfs/dbraw/zinc/55/77/94/721557794.db2.gz FLWWDTXQESHOFS-SJBKTWHCSA-N 0 1 408.933 4.151 20 0 HIADMN Cc1ccc2c(c1)cc(Cl)nc2N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810558 721569205 /nfs/dbraw/zinc/56/92/05/721569205.db2.gz YSNQHPMKRADUCK-QNWVGRARSA-N 0 1 422.960 4.460 20 0 HIADMN Cc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc2c(Cl)cccc12 ZINC001164802986 721569631 /nfs/dbraw/zinc/56/96/31/721569631.db2.gz JBKGDOQOOGVPPX-DPLHUUCSSA-N 0 1 422.960 4.460 20 0 HIADMN CC(C)c1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(C(C)(C)C)n1 ZINC001164802614 721583787 /nfs/dbraw/zinc/58/37/87/721583787.db2.gz HDDZSBDGGRUMTI-SXWKCWPCSA-N 0 1 423.605 4.161 20 0 HIADMN FC1(F)CCN(c2cnc(-c3ccccc3)cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907693 721724344 /nfs/dbraw/zinc/72/43/44/721724344.db2.gz SOTFEUFGAZRAQX-HSZRJFAPSA-N 0 1 421.495 4.276 20 0 HIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)nc3ccsc32)CC1 ZINC001165016473 721837734 /nfs/dbraw/zinc/83/77/34/721837734.db2.gz BJTFFKLXBSKFJU-UHFFFAOYSA-N 0 1 412.559 4.118 20 0 HIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)c3ccccc3n2)CC1 ZINC001165023307 721840318 /nfs/dbraw/zinc/84/03/18/721840318.db2.gz UUJQHRIDGWCEMX-UHFFFAOYSA-N 0 1 406.530 4.056 20 0 HIADMN Cc1nc2scc(-c3cccs3)c2c(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)n1 ZINC001164967459 722075880 /nfs/dbraw/zinc/07/58/80/722075880.db2.gz QTSLGLUSWYNVEJ-IYBDPMFKSA-N 0 1 412.584 4.028 20 0 HIADMN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)cc5ccccc54)CC[C@H]32)cs1 ZINC001164994526 722184146 /nfs/dbraw/zinc/18/41/46/722184146.db2.gz YYKSEHQZRMOUGS-FGZHOGPDSA-N 0 1 408.571 4.178 20 0 HIADMN CC(C)(C)OC(=O)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164994032 722199647 /nfs/dbraw/zinc/19/96/47/722199647.db2.gz DJHZMHMBAPOYTB-XMMPIXPASA-N 0 1 411.521 4.421 20 0 HIADMN C[C@@H]1CCCN(c2cc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)ncn2)C1 ZINC001164995337 722210968 /nfs/dbraw/zinc/21/09/68/722210968.db2.gz IFNMRHPOHONKNH-NTKDMRAZSA-N 0 1 409.553 4.097 20 0 HIADMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c[nH]nc1-c1ccsc1 ZINC000435937047 861200668 /nfs/dbraw/zinc/20/06/68/861200668.db2.gz NXGGILYOMPDAOZ-UHFFFAOYSA-N 0 1 424.507 4.191 20 0 HIADMN CCN(C(=O)CCSc1nnc(C)[nH]1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000435940408 861204446 /nfs/dbraw/zinc/20/44/46/861204446.db2.gz QSZLEFXRWCIMSD-GFCCVEGCSA-N 0 1 400.470 4.094 20 0 HIADMN C[C@H](N[C@@H](C)c1ccc(Br)s1)C(=O)NC(=O)Nc1ccccc1F ZINC000435996768 861281704 /nfs/dbraw/zinc/28/17/04/861281704.db2.gz AENXPVQPTWCHCK-UWVGGRQHSA-N 0 1 414.300 4.037 20 0 HIADMN C[C@@H]1CN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC000435999066 861284325 /nfs/dbraw/zinc/28/43/25/861284325.db2.gz HNQYCLXMPNVEAL-DOQJBMMISA-N 0 1 411.527 4.090 20 0 HIADMN Cc1cccc2nc(CCC(=O)N(CCn3ccnc3)Cc3cccc(Cl)c3)[nH]c21 ZINC000436018996 861310103 /nfs/dbraw/zinc/31/01/03/861310103.db2.gz GCKDMPGMCKSVKN-UHFFFAOYSA-N 0 1 421.932 4.383 20 0 HIADMN CSc1ccccc1S(=O)(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000436018997 861310796 /nfs/dbraw/zinc/31/07/96/861310796.db2.gz GCNFMVGBIRFCBE-UHFFFAOYSA-N 0 1 407.557 4.323 20 0 HIADMN CSc1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000436022116 861313699 /nfs/dbraw/zinc/31/36/99/861313699.db2.gz ANGSHJPTUWMEEV-UHFFFAOYSA-N 0 1 404.488 4.322 20 0 HIADMN CSc1ccccc1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000436022301 861316801 /nfs/dbraw/zinc/31/68/01/861316801.db2.gz YEELIIKGADNBIF-UHFFFAOYSA-N 0 1 414.556 4.194 20 0 HIADMN Cc1nnc(SCCC(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)[nH]1 ZINC000436036246 861328074 /nfs/dbraw/zinc/32/80/74/861328074.db2.gz FYBIBFAYDPVGQN-KSFYIVLOSA-N 0 1 406.555 4.201 20 0 HIADMN Cc1nnc(SCCC(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)[nH]1 ZINC000436036247 861328977 /nfs/dbraw/zinc/32/89/77/861328977.db2.gz FYBIBFAYDPVGQN-OPAMFIHVSA-N 0 1 406.555 4.201 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(F)c3SC)CCN2C2CC2)c1 ZINC000436051717 861339060 /nfs/dbraw/zinc/33/90/60/861339060.db2.gz BHEHDKLDTMUJPM-VQTJNVASSA-N 0 1 400.519 4.264 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)[nH]n2)cc1C ZINC000436064293 861346234 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O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000426517197 856331048 /nfs/dbraw/zinc/33/10/48/856331048.db2.gz YWEAMEWSAFRNMG-JOCHJYFZSA-N 0 1 407.558 4.159 20 0 HIADMN CC[C@]1(CO)CCCN([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000426519972 856332147 /nfs/dbraw/zinc/33/21/47/856332147.db2.gz DDCYUTGSFNDWNO-JPYJTQIMSA-N 0 1 413.587 4.185 20 0 HIADMN O=C(c1ccc(Br)c(C(F)(F)F)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000426637886 856387479 /nfs/dbraw/zinc/38/74/79/856387479.db2.gz HBIYMNDOLRPTCV-UHFFFAOYSA-N 0 1 402.214 4.211 20 0 HIADMN CC1(C)C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3nc4ccc(Cl)cc4[nH]3)cc21 ZINC000426651921 856394582 /nfs/dbraw/zinc/39/45/82/856394582.db2.gz QBMUIBLGXCJBCL-SFHVURJKSA-N 0 1 408.889 4.423 20 0 HIADMN CCc1nc(C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)ccc1C(=O)[O-] ZINC000426651413 856394764 /nfs/dbraw/zinc/39/47/64/856394764.db2.gz LTYMRINYAKANFJ-UHFFFAOYSA-N 0 1 406.530 4.424 20 0 HIADMN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000426654423 856395939 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HIADMN O=C(CCCc1ccc(O)c(F)c1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469374942 883502863 /nfs/dbraw/zinc/50/28/63/883502863.db2.gz ICUZPLPJUUOWMK-SFHVURJKSA-N 0 1 424.438 4.264 20 0 HIADMN O=C(CCCc1ccc(O)c(F)c1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469374942 883502882 /nfs/dbraw/zinc/50/28/82/883502882.db2.gz ICUZPLPJUUOWMK-SFHVURJKSA-N 0 1 424.438 4.264 20 0 HIADMN CC(=O)Nc1ccccc1CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000469405276 883575191 /nfs/dbraw/zinc/57/51/91/883575191.db2.gz FCHVUELMOCXGLW-OAQYLSRUSA-N 0 1 413.949 4.012 20 0 HIADMN COc1ccc([C@@H](CNC(=O)[C@H]2CCCc3[nH]cnc32)c2c[nH]c3ccccc32)cc1 ZINC000469445639 883642773 /nfs/dbraw/zinc/64/27/73/883642773.db2.gz FGMRDFPMGGTMHO-VQTJNVASSA-N 0 1 414.509 4.268 20 0 HIADMN COc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c(OC)c1 ZINC000469455660 883663551 /nfs/dbraw/zinc/66/35/51/883663551.db2.gz XKRIXWSGTJGFJY-KRWDZBQOSA-N 0 1 411.424 4.147 20 0 HIADMN CN(C)[C@H](CNC(=O)CSc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000469482302 883716126 /nfs/dbraw/zinc/71/61/26/883716126.db2.gz RLQWVXUWJJUMBP-MRXNPFEDSA-N 0 1 423.460 4.358 20 0 HIADMN Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469487068 883722627 /nfs/dbraw/zinc/72/26/27/883722627.db2.gz BTYLDVBWPGOXHL-HXUWFJFHSA-N 0 1 416.447 4.232 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cccc(OC(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000469488884 883724717 /nfs/dbraw/zinc/72/47/17/883724717.db2.gz YHTBXESBIGXWSQ-INIZCTEOSA-N 0 1 402.363 4.340 20 0 HIADMN Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469490139 883726431 /nfs/dbraw/zinc/72/64/31/883726431.db2.gz OMNCKILLCUTDGA-HXUWFJFHSA-N 0 1 424.511 4.136 20 0 HIADMN CN(C)[C@@H](CNC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC000469489560 883727839 /nfs/dbraw/zinc/72/78/39/883727839.db2.gz HXBLBELDECNVFE-INIZCTEOSA-N 0 1 413.509 4.421 20 0 HIADMN CN(C)[C@@H](CNC(=O)CCc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000469489452 883728090 /nfs/dbraw/zinc/72/80/90/883728090.db2.gz GQUUAODZPAZISE-KRWDZBQOSA-N 0 1 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Cc1nnc(SCC(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)[nH]1 ZINC000469671052 883861220 /nfs/dbraw/zinc/86/12/20/883861220.db2.gz OLWTZLNFERSSGE-QGZVFWFLSA-N 0 1 407.326 4.418 20 0 HIADMN Cc1n[nH]c(SCC(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)n1 ZINC000469671052 883861223 /nfs/dbraw/zinc/86/12/23/883861223.db2.gz OLWTZLNFERSSGE-QGZVFWFLSA-N 0 1 407.326 4.418 20 0 HIADMN O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)[C@H]1CCCCN1Cc1ccccc1 ZINC000469679155 883866076 /nfs/dbraw/zinc/86/60/76/883866076.db2.gz GOIREUQGMMPEIG-NFBKMPQASA-N 0 1 411.521 4.410 20 0 HIADMN Cc1nnc(SCC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)[nH]1 ZINC000469690449 883872225 /nfs/dbraw/zinc/87/22/25/883872225.db2.gz LDHCIVNJAMBLKU-ZDUSSCGKSA-N 0 1 401.561 4.165 20 0 HIADMN Cc1n[nH]c(SCC(=O)N(C)[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000469690449 883872226 /nfs/dbraw/zinc/87/22/26/883872226.db2.gz LDHCIVNJAMBLKU-ZDUSSCGKSA-N 0 1 401.561 4.165 20 0 HIADMN CN1CC[C@H](CNC(=O)[C@H]2CCCN2c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469732522 883890427 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CC1CCN([C@H](CNC(=O)c2ccncc2Br)c2cccs2)CC1 ZINC000477500754 892507568 /nfs/dbraw/zinc/50/75/68/892507568.db2.gz QBHTZQIXLMIDON-MRXNPFEDSA-N 0 1 408.365 4.109 20 0 HIADMN Cc1ccc(-c2ccc(C)c(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)c2)o1 ZINC000477532381 892562207 /nfs/dbraw/zinc/56/22/07/892562207.db2.gz SRLQKBJMOWVRKB-UHFFFAOYSA-N 0 1 402.447 4.326 20 0 HIADMN COc1coc(CNC2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1=O ZINC000477635998 892757667 /nfs/dbraw/zinc/75/76/67/892757667.db2.gz LICYJJISBKNUPO-UHFFFAOYSA-N 0 1 421.493 4.023 20 0 HIADMN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCCN1CC=CCC1 ZINC000477638847 892759856 /nfs/dbraw/zinc/75/98/56/892759856.db2.gz JPCILOZWZKXJKO-UHFFFAOYSA-N 0 1 405.498 4.015 20 0 HIADMN CC[C@H](C)n1nc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC000477641562 892763452 /nfs/dbraw/zinc/76/34/52/892763452.db2.gz CSXFVZSRDZJUAV-KSSFIOAISA-N 0 1 408.468 4.186 20 0 HIADMN Cc1nc([C@H](C)NC(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)n[nH]1 ZINC000477720616 892825802 /nfs/dbraw/zinc/82/58/02/892825802.db2.gz NOJSAXDMRIWDKW-NSHDSACASA-N 0 1 423.864 4.385 20 0 HIADMN CCN(C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1)CC(F)(F)F ZINC000477729039 892829434 /nfs/dbraw/zinc/82/94/34/892829434.db2.gz DDRRKBRHWZPTBV-LSDHHAIUSA-N 0 1 405.892 4.182 20 0 HIADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN(C)C1c2ccccc2-c2ccccc21 ZINC000477728187 892829809 /nfs/dbraw/zinc/82/98/09/892829809.db2.gz ODKUQWUKEYSPBV-LJQANCHMSA-N 0 1 417.505 4.339 20 0 HIADMN COc1ccc(CNC(=O)CN(C)C2c3ccccc3-c3ccccc32)cc1OC ZINC000477729931 892830227 /nfs/dbraw/zinc/83/02/27/892830227.db2.gz FEWGIQLKRPKPJB-UHFFFAOYSA-N 0 1 402.494 4.022 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCCc3nc(C)sc32)N2CCCC2)o1 ZINC000477757112 892848176 /nfs/dbraw/zinc/84/81/76/892848176.db2.gz AOMRAOKUORMKDY-ROUUACIJSA-N 0 1 402.564 4.209 20 0 HIADMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000477761239 892850942 /nfs/dbraw/zinc/85/09/42/892850942.db2.gz PDGLDOMTPKSLKM-SJORKVTESA-N 0 1 413.528 4.345 20 0 HIADMN Cc1noc(CCCN2CCc3c(cccc3NC(=O)Nc3ccc(C)cc3)C2)n1 ZINC000477765386 892853751 /nfs/dbraw/zinc/85/37/51/892853751.db2.gz IJTNCEISDNQKNM-UHFFFAOYSA-N 0 1 405.502 4.321 20 0 HIADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000477824354 892889508 /nfs/dbraw/zinc/88/95/08/892889508.db2.gz VDMIUEZLEUKBBH-KBMXLJTQSA-N 0 1 405.292 4.322 20 0 HIADMN CN(C(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000477830077 892893658 /nfs/dbraw/zinc/89/36/58/892893658.db2.gz MPKTYYVHEPHUOM-AYEXWZOKSA-N 0 1 424.516 4.091 20 0 HIADMN COc1cccc(-c2nc(C[N@@H+]3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cs2)c1OC ZINC000477834669 892896460 /nfs/dbraw/zinc/89/64/60/892896460.db2.gz MQIQRUQGSFFYAY-COXVUDFISA-N 0 1 402.516 4.045 20 0 HIADMN COc1ccc([C@H](CNC(=O)N[C@@H](C)c2c(F)cccc2Cl)N(C)C)cc1OC ZINC000477846827 892905968 /nfs/dbraw/zinc/90/59/68/892905968.db2.gz YKCYQXIREQRFHB-GUYCJALGSA-N 0 1 423.916 4.159 20 0 HIADMN Cc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c2cnn(C(C)C)c2n1 ZINC000477914609 892994180 /nfs/dbraw/zinc/99/41/80/892994180.db2.gz ZNPSESGZBFBZHW-LJQANCHMSA-N 0 1 415.501 4.083 20 0 HIADMN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c2cnn(C(C)C)c2n1 ZINC000477914609 892994197 /nfs/dbraw/zinc/99/41/97/892994197.db2.gz ZNPSESGZBFBZHW-LJQANCHMSA-N 0 1 415.501 4.083 20 0 HIADMN C[C@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(SC2CCCC2)cc1 ZINC000477916409 892998974 /nfs/dbraw/zinc/99/89/74/892998974.db2.gz FAYSAWFPXDEGQS-KRWDZBQOSA-N 0 1 419.612 4.338 20 0 HIADMN C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000477990581 893091182 /nfs/dbraw/zinc/09/11/82/893091182.db2.gz DQXUTXVDKNPDIN-KKSFZXQISA-N 0 1 401.514 4.294 20 0 HIADMN O=C(CCc1ccc(OC(F)F)cc1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000477997674 893099300 /nfs/dbraw/zinc/09/93/00/893099300.db2.gz YCVCNHAFCXYLQV-SFHVURJKSA-N 0 1 412.440 4.369 20 0 HIADMN O=C(CCc1ccc(OC(F)F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000477997674 893099320 /nfs/dbraw/zinc/09/93/20/893099320.db2.gz YCVCNHAFCXYLQV-SFHVURJKSA-N 0 1 412.440 4.369 20 0 HIADMN CCOC[C@@H]1CCN([C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)C1 ZINC000478008074 893117316 /nfs/dbraw/zinc/11/73/16/893117316.db2.gz ACWOXBZJUMLMRK-IIBYNOLFSA-N 0 1 402.922 4.387 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)Nc1ccc(Br)c(Cl)c1 ZINC000478015951 893130664 /nfs/dbraw/zinc/13/06/64/893130664.db2.gz FVRZDMUNJHIZKR-UHFFFAOYSA-N 0 1 420.698 4.252 20 0 HIADMN O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000478170557 893337882 /nfs/dbraw/zinc/33/78/82/893337882.db2.gz CFOPTUYATWWRRY-HXUWFJFHSA-N 0 1 424.932 4.276 20 0 HIADMN O=C1[C@H](NCc2cnc(-c3ccccn3)s2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000478261914 893447355 /nfs/dbraw/zinc/44/73/55/893447355.db2.gz UOIJUILLKPKWHY-QGZVFWFLSA-N 0 1 419.337 4.407 20 0 HIADMN CCc1c(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cnn1C(CC)CC ZINC000478269417 893462803 /nfs/dbraw/zinc/46/28/03/893462803.db2.gz WDKCBEZIQCVAPZ-JOCHJYFZSA-N 0 1 412.578 4.382 20 0 HIADMN COc1cccc(C(=O)CCCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000478306283 893525696 /nfs/dbraw/zinc/52/56/96/893525696.db2.gz AYNSLTHRVOUAJN-NRFANRHFSA-N 0 1 407.470 4.415 20 0 HIADMN COCC[C@@H](NCc1cc(Br)c2c(c1)OCCCO2)c1ccc(C)o1 ZINC000478324725 893554831 /nfs/dbraw/zinc/55/48/31/893554831.db2.gz DHMSADOJWBDPKO-MRXNPFEDSA-N 0 1 410.308 4.379 20 0 HIADMN O=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1cc2cc(Cl)ccc2o1 ZINC000505050502 913790982 /nfs/dbraw/zinc/79/09/82/913790982.db2.gz CXORXEVHKYSAJJ-UHFFFAOYSA-N 0 1 424.888 4.090 20 0 HIADMN CCCN(C(=O)c1ccc(C(=O)OCC)c(C)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000505056938 913794646 /nfs/dbraw/zinc/79/46/46/913794646.db2.gz DUYASJAMCYYDCN-NRFANRHFSA-N 0 1 423.557 4.084 20 0 HIADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1NCc1cccnc1 ZINC000478463564 893785133 /nfs/dbraw/zinc/78/51/33/893785133.db2.gz OTNBIPLNTVZLFP-JOCHJYFZSA-N 0 1 400.526 4.088 20 0 HIADMN Cn1cc(Nc2cccc(C(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)c2)cn1 ZINC000478465747 893791659 /nfs/dbraw/zinc/79/16/59/893791659.db2.gz HGOFKEUBAYJWDN-QFIPXVFZSA-N 0 1 423.948 4.384 20 0 HIADMN C[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1nc(C(F)(F)F)cs1 ZINC000505079547 913807693 /nfs/dbraw/zinc/80/76/93/913807693.db2.gz HACAYTGESSEQRF-LURJTMIESA-N 0 1 419.226 4.292 20 0 HIADMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1cccc(C(=O)N2CCCC2)n1 ZINC000478558584 893848209 /nfs/dbraw/zinc/84/82/09/893848209.db2.gz KXVILBPWPGUDJD-UHFFFAOYSA-N 0 1 417.513 4.494 20 0 HIADMN C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(O)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478558932 893848693 /nfs/dbraw/zinc/84/86/93/893848693.db2.gz KAOSNBPEYDRKQG-VBKZILBWSA-N 0 1 411.304 4.190 20 0 HIADMN CN1CC[C@@H](CNC(=O)Cc2ccc(O)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000478558932 893848696 /nfs/dbraw/zinc/84/86/96/893848696.db2.gz KAOSNBPEYDRKQG-VBKZILBWSA-N 0 1 411.304 4.190 20 0 HIADMN CCC[C@]1(NC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CCOC1 ZINC000478589471 893862312 /nfs/dbraw/zinc/86/23/12/893862312.db2.gz NMUSKWXXXZKBGM-HNNXBMFYSA-N 0 1 406.355 4.298 20 0 HIADMN C[C@H](CN(C)C(=O)c1oc2ccccc2c1CSc1cccs1)c1nn[nH]n1 ZINC000478596632 893865957 /nfs/dbraw/zinc/86/59/57/893865957.db2.gz XKVXISGWPHVXFW-GFCCVEGCSA-N 0 1 413.528 4.175 20 0 HIADMN CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)N(C)C[C@@H](C)c3nn[nH]n3)c2C1 ZINC000478605082 893870694 /nfs/dbraw/zinc/87/06/94/893870694.db2.gz YYQAOVZPYAOGDN-HZPDHXFCSA-N 0 1 420.561 4.165 20 0 HIADMN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000478625856 893882620 /nfs/dbraw/zinc/88/26/20/893882620.db2.gz CRMMVJJGTMWYDY-UHFFFAOYSA-N 0 1 419.412 4.320 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc2c(cc(Cl)cc2Cl)[nH]1 ZINC000478627347 893883627 /nfs/dbraw/zinc/88/36/27/893883627.db2.gz CEGJQMDTGWJOJW-UHFFFAOYSA-N 0 1 403.313 4.264 20 0 HIADMN CCCOc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(OC(C)C)c1 ZINC000478637636 893889011 /nfs/dbraw/zinc/88/90/11/893889011.db2.gz XFWCYPFTHYFMMU-UHFFFAOYSA-N 0 1 411.546 4.052 20 0 HIADMN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccn(-c4ccncc4)n3)cc12 ZINC000505108833 913821905 /nfs/dbraw/zinc/82/19/05/913821905.db2.gz GSXVQDKCZOVJOT-UHFFFAOYSA-N 0 1 418.457 4.368 20 0 HIADMN CCCOc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c(OC(C)C)c1 ZINC000478672272 893922209 /nfs/dbraw/zinc/92/22/09/893922209.db2.gz CSFCRZGHJWNWOP-UHFFFAOYSA-N 0 1 411.546 4.052 20 0 HIADMN COc1cc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)c(C)cc1C ZINC000478713665 893980500 /nfs/dbraw/zinc/98/05/00/893980500.db2.gz UQPZMDPRRXOPMN-UHFFFAOYSA-N 0 1 414.321 4.192 20 0 HIADMN COc1cc(C(=O)Nc2ccn(-c3ccncc3)n2)cc(Cl)c1OCC(C)C ZINC000505121543 913827586 /nfs/dbraw/zinc/82/75/86/913827586.db2.gz ZDQIRWOCBVGVCV-UHFFFAOYSA-N 0 1 400.866 4.216 20 0 HIADMN CCOc1ccc([C@H]2CCCN2C(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000478767145 894041327 /nfs/dbraw/zinc/04/13/27/894041327.db2.gz XYVIZPDOYNWEKX-HXUWFJFHSA-N 0 1 422.554 4.250 20 0 HIADMN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000505127936 913831622 /nfs/dbraw/zinc/83/16/22/913831622.db2.gz GVYJMRNUJJQEPY-LLVKDONJSA-N 0 1 421.682 4.089 20 0 HIADMN CCOc1ccc2nc(S[C@H](C(N)=O)c3cccc(Br)c3)[nH]c2c1 ZINC000478798277 894073188 /nfs/dbraw/zinc/07/31/88/894073188.db2.gz GHVUTVCKTWOHMM-HNNXBMFYSA-N 0 1 406.305 4.043 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2Cc3ccccc3C3(CC3)C2)N2CCCC2)cc1 ZINC000478829575 894105552 /nfs/dbraw/zinc/10/55/52/894105552.db2.gz ASOLYBKYHDKQTC-QHCPKHFHSA-N 0 1 405.542 4.089 20 0 HIADMN O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1c[nH]c2ccccc2c1=O ZINC000478902540 894182591 /nfs/dbraw/zinc/18/25/91/894182591.db2.gz OQKBKPUKQWMISR-UHFFFAOYSA-N 0 1 401.447 4.328 20 0 HIADMN O=C(NC1CC1)[C@@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1ccc(F)cc1 ZINC000478909491 894189896 /nfs/dbraw/zinc/18/98/96/894189896.db2.gz KQQXDSKGMJBJCS-PXNSSMCTSA-N 0 1 421.438 4.033 20 0 HIADMN NC(=O)[C@H](N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC000478954833 894236514 /nfs/dbraw/zinc/23/65/14/894236514.db2.gz OJZFYGJEBONJEI-NUEKZKHPSA-N 0 1 413.237 4.140 20 0 HIADMN NC(=O)[C@H](N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(Br)c1 ZINC000478954838 894237327 /nfs/dbraw/zinc/23/73/27/894237327.db2.gz OJZFYGJEBONJEI-VNQPRFMTSA-N 0 1 413.237 4.140 20 0 HIADMN COc1cc([C@H](C)N[C@H]2CCCN(c3ccccc3F)C2=O)ccc1OC(F)F ZINC000478977490 894254424 /nfs/dbraw/zinc/25/44/24/894254424.db2.gz RFNJUPYPWCJSBH-BBRMVZONSA-N 0 1 408.420 4.282 20 0 HIADMN COc1ccc([C@H](CNC(=O)NC[C@@H](c2ccccc2)C(C)C)N(C)C)cc1OC ZINC000505166346 913856440 /nfs/dbraw/zinc/85/64/40/913856440.db2.gz AZQMRWQKHNVKHP-RTWAWAEBSA-N 0 1 413.562 4.046 20 0 HIADMN COc1cccc(-c2ccc(CN[C@@H](C)c3cc(S(N)(=O)=O)c(C)cc3C)cc2)c1 ZINC000479050511 894310567 /nfs/dbraw/zinc/31/05/67/894310567.db2.gz BZDCMVUBFUJUKB-SFHVURJKSA-N 0 1 424.566 4.477 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2ccccc2N2CCCCC2)N2CCCC2)c1 ZINC000505168939 913858151 /nfs/dbraw/zinc/85/81/51/913858151.db2.gz DQXTUUBKPXBRFJ-DEOSSOPVSA-N 0 1 407.558 4.252 20 0 HIADMN Fc1ccc(N2CCOCC2)c(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)c1 ZINC000479064634 894326758 /nfs/dbraw/zinc/32/67/58/894326758.db2.gz HAASPDNNGDIMSO-JOCHJYFZSA-N 0 1 406.505 4.015 20 0 HIADMN Cc1ccc(NCc2c(Cl)cccc2N2CCN(C)CC2)cc1NC(=O)N(C)C ZINC000479066864 894330288 /nfs/dbraw/zinc/33/02/88/894330288.db2.gz ULGAJHQZZDRLKR-UHFFFAOYSA-N 0 1 415.969 4.106 20 0 HIADMN O=C([C@H](Cc1ccccc1)N[C@H]1CCCc2nn(-c3ccccc3)cc21)N1CCCC1 ZINC000479072369 894336035 /nfs/dbraw/zinc/33/60/35/894336035.db2.gz WCKIGOAWFMVNNO-ZCYQVOJMSA-N 0 1 414.553 4.073 20 0 HIADMN Cc1ccc(CN[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)c(OC(C)(C)C)c1 ZINC000479078959 894344346 /nfs/dbraw/zinc/34/43/46/894344346.db2.gz OVNGEPALVHPMDR-QGZVFWFLSA-N 0 1 404.576 4.287 20 0 HIADMN COc1ccc2oc([C@@H](C)N[C@H](C)c3cc(S(N)(=O)=O)c(C)cc3C)c(C)c2c1 ZINC000479083090 894349193 /nfs/dbraw/zinc/34/91/93/894349193.db2.gz UZEVPQPAMWVEKB-HZPDHXFCSA-N 0 1 416.543 4.426 20 0 HIADMN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000479115231 894384756 /nfs/dbraw/zinc/38/47/56/894384756.db2.gz MGUMGUDPJDIXPN-UHFFFAOYSA-N 0 1 413.190 4.111 20 0 HIADMN CC(C)(C(=O)N[C@@H]1CCCc2cn[nH]c21)c1csc(-c2c(F)cccc2F)n1 ZINC000479189907 894456453 /nfs/dbraw/zinc/45/64/53/894456453.db2.gz GQXLEGYUNBRBJA-CQSZACIVSA-N 0 1 402.470 4.283 20 0 HIADMN CCc1nc(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)n[nH]1 ZINC000479189326 894456485 /nfs/dbraw/zinc/45/64/85/894456485.db2.gz NJXIEGBWLCWSNQ-INIZCTEOSA-N 0 1 419.254 4.028 20 0 HIADMN CCc1n[nH]c(NC(=O)[C@@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 ZINC000479189326 894456490 /nfs/dbraw/zinc/45/64/90/894456490.db2.gz NJXIEGBWLCWSNQ-INIZCTEOSA-N 0 1 419.254 4.028 20 0 HIADMN C[C@@H](c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1)[NH+]1CCOCC1 ZINC000479250124 894515067 /nfs/dbraw/zinc/51/50/67/894515067.db2.gz SXIYSHCFWDIYPF-ZDUSSCGKSA-N 0 1 415.342 4.187 20 0 HIADMN O=C(c1ccc(Nc2ccncc2)cc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479274623 894547993 /nfs/dbraw/zinc/54/79/93/894547993.db2.gz ADWGEDMVNDXCOF-OAQYLSRUSA-N 0 1 411.864 4.253 20 0 HIADMN COCCOc1ccc([C@H](C)N[C@H](C)c2ccc(Br)cn2)cc1OC ZINC000479343206 894638065 /nfs/dbraw/zinc/63/80/65/894638065.db2.gz AAMWODFBOWEECB-UONOGXRCSA-N 0 1 409.324 4.290 20 0 HIADMN COc1cc(CN[C@H](c2ccc(Br)cc2F)C2CC2)ccc1OCCO ZINC000479356088 894652432 /nfs/dbraw/zinc/65/24/32/894652432.db2.gz VKFCVZDUJRQAPX-FQEVSTJZSA-N 0 1 424.310 4.209 20 0 HIADMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000479382330 894682324 /nfs/dbraw/zinc/68/23/24/894682324.db2.gz BZUUKHHZLLZVSQ-JKSUJKDBSA-N 0 1 420.550 4.291 20 0 HIADMN COc1cc2c(cc1OC)[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)CC2 ZINC000479406702 894713455 /nfs/dbraw/zinc/71/34/55/894713455.db2.gz ABAPXPOQGWTNFZ-UEVCKROQSA-N 0 1 416.949 4.006 20 0 HIADMN CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C ZINC000479415319 894725663 /nfs/dbraw/zinc/72/56/63/894725663.db2.gz DBEUMZDQJDOIBH-OXQOHEQNSA-N 0 1 416.543 4.065 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479416852 894727021 /nfs/dbraw/zinc/72/70/21/894727021.db2.gz BILDMMYIMWQPBC-ZJSXRUAMSA-N 0 1 423.463 4.097 20 0 HIADMN COC(=O)[C@H](Nc1ccc(CCN2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000479453229 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HIADMN O=C(Nc1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1)C1CC1 ZINC000479498425 894815857 /nfs/dbraw/zinc/81/58/57/894815857.db2.gz RFJQNPQJFMBJNV-UHFFFAOYSA-N 0 1 420.490 4.067 20 0 HIADMN Cc1noc2ncc(NS(=O)(=O)c3ccc4cc(Br)ccc4c3)cc12 ZINC000479498640 894816608 /nfs/dbraw/zinc/81/66/08/894816608.db2.gz DPTHCTPHLDQKCJ-UHFFFAOYSA-N 0 1 418.272 4.248 20 0 HIADMN O=S(=O)(Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccc2ncsc2c1 ZINC000479511089 894824349 /nfs/dbraw/zinc/82/43/49/894824349.db2.gz GEUSZHLEZADGCM-UHFFFAOYSA-N 0 1 416.459 4.164 20 0 HIADMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000479512573 894826023 /nfs/dbraw/zinc/82/60/23/894826023.db2.gz HPFDYENCPVWPIA-UHFFFAOYSA-N 0 1 422.890 4.211 20 0 HIADMN C[C@H](N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1ccc([S@](C)=O)cc1 ZINC000479517717 894829817 /nfs/dbraw/zinc/82/98/17/894829817.db2.gz OPIQGSQYMLHFTD-BWNFTLIBSA-N 0 1 405.869 4.480 20 0 HIADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000479521330 894831661 /nfs/dbraw/zinc/83/16/61/894831661.db2.gz CRQCWEGBEJYTEK-UHFFFAOYSA-N 0 1 412.486 4.140 20 0 HIADMN Cc1c([C@@H](C)N[C@@H](C)C(=O)N2Cc3ccccc3C2)cnn1-c1cc(C)ccc1C ZINC000479523338 894833009 /nfs/dbraw/zinc/83/30/09/894833009.db2.gz FFSLXUSGCICGEV-MOPGFXCFSA-N 0 1 402.542 4.379 20 0 HIADMN Cc1cc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c2cnn(C)c2n1 ZINC000479525454 894834750 /nfs/dbraw/zinc/83/47/50/894834750.db2.gz JZEQNTJONLPKGN-UHFFFAOYSA-N 0 1 414.444 4.135 20 0 HIADMN Cc1c([C@@H](C)N[C@@H](C)C(=O)N2Cc3ccccc3C2)cnn1-c1cccc(Cl)c1 ZINC000479536660 894841158 /nfs/dbraw/zinc/84/11/58/894841158.db2.gz FXMHLTACYZREDH-CVEARBPZSA-N 0 1 408.933 4.416 20 0 HIADMN C[C@H](N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000479538598 894841980 /nfs/dbraw/zinc/84/19/80/894841980.db2.gz IQKWJRGIQMKHNZ-DEYYWGMASA-N 0 1 408.420 4.264 20 0 HIADMN O=S(=O)(Nc1ccc(OC(F)F)c2cccnc12)c1ccc2ncsc2c1 ZINC000479549651 894849027 /nfs/dbraw/zinc/84/90/27/894849027.db2.gz GZWDJTRFNYZVRV-UHFFFAOYSA-N 0 1 407.423 4.247 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000479561371 894858930 /nfs/dbraw/zinc/85/89/30/894858930.db2.gz USZRDDKFBCCVCA-DEOSSOPVSA-N 0 1 417.509 4.165 20 0 HIADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H](c1ccccc1)N1CCCC1 ZINC000479565131 894861925 /nfs/dbraw/zinc/86/19/25/894861925.db2.gz RVIMHTXGSPHDQU-FQEVSTJZSA-N 0 1 406.979 4.060 20 0 HIADMN CCS(=O)(=O)c1c(Cl)cccc1CN[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000479573351 894865772 /nfs/dbraw/zinc/86/57/72/894865772.db2.gz KFHSTGWNRAQONT-APWZRJJASA-N 0 1 406.979 4.059 20 0 HIADMN O=C(CSc1cc(Cl)ccc1Cl)NC1CCN(Cc2cccnc2)CC1 ZINC000479614606 894885328 /nfs/dbraw/zinc/88/53/28/894885328.db2.gz FQRKPUGMCWYDCN-UHFFFAOYSA-N 0 1 410.370 4.261 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1 ZINC000479619456 894888467 /nfs/dbraw/zinc/88/84/67/894888467.db2.gz PGMQMTNKOWNJBY-UHFFFAOYSA-N 0 1 423.513 4.147 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000479788536 895092342 /nfs/dbraw/zinc/09/23/42/895092342.db2.gz YVGUAOSAKQYISH-UHFFFAOYSA-N 0 1 407.440 4.417 20 0 HIADMN O=C(Cc1c[nH]c2cc(Br)ccc12)NC[C@H](c1ccco1)N1CCCC1 ZINC000479815244 895127138 /nfs/dbraw/zinc/12/71/38/895127138.db2.gz DFMIGBBNTDKHON-GOSISDBHSA-N 0 1 416.319 4.019 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cnc(-c3ccccc3)nc2C)N2CCCC2)cc1 ZINC000479814698 895127814 /nfs/dbraw/zinc/12/78/14/895127814.db2.gz JIEMAVIOIFMQRJ-HSZRJFAPSA-N 0 1 416.525 4.028 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCCn3ccc4ccccc43)n2)cc1 ZINC000479850279 895181754 /nfs/dbraw/zinc/18/17/54/895181754.db2.gz UHJSSTCANBBGQN-UHFFFAOYSA-N 0 1 405.527 4.033 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000479903942 895250912 /nfs/dbraw/zinc/25/09/12/895250912.db2.gz STDNHBFDMWRJRE-AWEZNQCLSA-N 0 1 403.464 4.123 20 0 HIADMN COc1cc(OC)c([C@H](C)NCc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC000479920428 895268605 /nfs/dbraw/zinc/26/86/05/895268605.db2.gz BBHKWAWSONXYJP-INIZCTEOSA-N 0 1 404.938 4.040 20 0 HIADMN C[S@@](=O)c1ccc(CNCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC000479934773 895284492 /nfs/dbraw/zinc/28/44/92/895284492.db2.gz VPRHZWDMJGMLSF-HSZRJFAPSA-N 0 1 406.267 4.495 20 0 HIADMN CC(C)[C@@H](Oc1ccccc1Br)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000479960709 895312840 /nfs/dbraw/zinc/31/28/40/895312840.db2.gz HEQJXPRQVBKZAR-GOSISDBHSA-N 0 1 420.282 4.184 20 0 HIADMN COc1cc2c(cc1F)nccc2N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000479985781 895338488 /nfs/dbraw/zinc/33/84/88/895338488.db2.gz KRSQDOCJHFAIBD-UHFFFAOYSA-N 0 1 405.433 4.212 20 0 HIADMN O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000480038862 895388214 /nfs/dbraw/zinc/38/82/14/895388214.db2.gz CGRPBLMONYHAIS-UHFFFAOYSA-N 0 1 417.444 4.319 20 0 HIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000480041769 895390833 /nfs/dbraw/zinc/39/08/33/895390833.db2.gz KDIHXQFXUICDHR-UHFFFAOYSA-N 0 1 418.259 4.167 20 0 HIADMN CC(C)Oc1cc(Br)cc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000480046436 895393315 /nfs/dbraw/zinc/39/33/15/895393315.db2.gz VWRUYCYKUPWGLH-UHFFFAOYSA-N 0 1 420.282 4.224 20 0 HIADMN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000480047011 895395072 /nfs/dbraw/zinc/39/50/72/895395072.db2.gz XWOZHONXKBMODS-UHFFFAOYSA-N 0 1 416.884 4.313 20 0 HIADMN CN(C(=O)c1cccc(C(=O)N2CCN(C)CC23CCCCC3)c1)c1ccccc1 ZINC000480052134 895400359 /nfs/dbraw/zinc/40/03/59/895400359.db2.gz BVZLWRSPHSBLQJ-UHFFFAOYSA-N 0 1 405.542 4.054 20 0 HIADMN CC(C)c1nc(C(=O)N2CCN(C)CC23CCCCC3)nn1-c1ccccc1Cl ZINC000480055839 895402130 /nfs/dbraw/zinc/40/21/30/895402130.db2.gz HLKUZBMRIVYRIN-UHFFFAOYSA-N 0 1 415.969 4.135 20 0 HIADMN CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c1C ZINC000480106140 895475855 /nfs/dbraw/zinc/47/58/55/895475855.db2.gz PJUOTDSOTAJKQJ-CQSZACIVSA-N 0 1 423.483 4.185 20 0 HIADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000480116187 895489635 /nfs/dbraw/zinc/48/96/35/895489635.db2.gz RBNDRPLSJKFXOP-SJCJKPOMSA-N 0 1 413.356 4.247 20 0 HIADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000480116189 895489797 /nfs/dbraw/zinc/48/97/97/895489797.db2.gz RBNDRPLSJKFXOP-SJKOYZFVSA-N 0 1 413.356 4.247 20 0 HIADMN CCOc1ccc(-c2cn(C3CN(c4ccnc5cc(F)c(OC)cc54)C3)nn2)cc1 ZINC000480118958 895494069 /nfs/dbraw/zinc/49/40/69/895494069.db2.gz NFDBOEVIDUYRHC-UHFFFAOYSA-N 0 1 419.460 4.101 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@H]2C)c1 ZINC000480138307 895516081 /nfs/dbraw/zinc/51/60/81/895516081.db2.gz MOACSDJDHPOZSY-ZIAGYGMSSA-N 0 1 422.934 4.020 20 0 HIADMN CCCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000505313508 913975058 /nfs/dbraw/zinc/97/50/58/913975058.db2.gz GVQFQCUYHZTHFX-UHFFFAOYSA-N 0 1 422.554 4.295 20 0 HIADMN CO[C@@H](CN[C@@H](c1ccc(Br)cc1)c1cncnc1)c1ccc(F)cc1 ZINC000480164887 895554299 /nfs/dbraw/zinc/55/42/99/895554299.db2.gz HAYORSLEYYHDMP-PMACEKPBSA-N 0 1 416.294 4.445 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c(F)c1 ZINC000480209077 895611974 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Cc1ccccc1OCCCN[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480219779 895625470 /nfs/dbraw/zinc/62/54/70/895625470.db2.gz DDPISYBUIWMOPI-KRWDZBQOSA-N 0 1 424.360 4.035 20 0 HIADMN COC(=O)c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc(Cl)c1F ZINC000480234871 895642143 /nfs/dbraw/zinc/64/21/43/895642143.db2.gz WQTAYICTWWOJNV-UHFFFAOYSA-N 0 1 411.760 4.085 20 0 HIADMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Br)sc2Cl)c1C ZINC000480241921 895652291 /nfs/dbraw/zinc/65/22/91/895652291.db2.gz AAIZQVASOYCEMQ-SSDOTTSWSA-N 0 1 412.762 4.441 20 0 HIADMN CC[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1ccccc1OCC(=O)N(C)C ZINC000480249299 895661123 /nfs/dbraw/zinc/66/11/23/895661123.db2.gz PLMAFNXXECZSLJ-JOCHJYFZSA-N 0 1 423.557 4.133 20 0 HIADMN CC[C@H](C)n1ncc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1C ZINC000480249970 895661289 /nfs/dbraw/zinc/66/12/89/895661289.db2.gz QVLUUKLFEJJTCQ-LBPRGKRZSA-N 0 1 407.927 4.111 20 0 HIADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000480273246 895680868 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HIADMN Clc1sc(CNCc2ccnc(OC3CCOCC3)c2)cc1Br ZINC000480371654 895779796 /nfs/dbraw/zinc/77/97/96/895779796.db2.gz UFMCCYPMAHVGHV-UHFFFAOYSA-N 0 1 417.756 4.407 20 0 HIADMN CCN1CCC[C@@H](Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)C1 ZINC000480374972 895782825 /nfs/dbraw/zinc/78/28/25/895782825.db2.gz IQWCXHZAWSUPMA-LLVKDONJSA-N 0 1 401.725 4.089 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)N(C)C)cc1OC ZINC000480376609 895784158 /nfs/dbraw/zinc/78/41/58/895784158.db2.gz NCPVAFFCYOTMDE-GHTZIAJQSA-N 0 1 413.562 4.326 20 0 HIADMN Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc1 ZINC000480425319 895820940 /nfs/dbraw/zinc/82/09/40/895820940.db2.gz DOINXEQHGCENJH-JXFKEZNVSA-N 0 1 408.464 4.460 20 0 HIADMN CCn1nccc1N1CCC[C@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1=O ZINC000480438180 895829395 /nfs/dbraw/zinc/82/93/95/895829395.db2.gz AFMIAMWSBBCPHN-KRWDZBQOSA-N 0 1 421.526 4.058 20 0 HIADMN CCn1nccc1N1CCC[C@@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1=O ZINC000480438181 895829577 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CCN(C(=O)NC[C@H]1CN(CC(C)C)CCO1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000480459201 895845261 /nfs/dbraw/zinc/84/52/61/895845261.db2.gz KJAGMEAZSOIZSR-APWZRJJASA-N 0 1 415.500 4.155 20 0 HIADMN C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cc(Br)ccc1F ZINC000480459931 895845983 /nfs/dbraw/zinc/84/59/83/895845983.db2.gz IURZUXCDKXSZOY-YWZLYKJASA-N 0 1 407.327 4.312 20 0 HIADMN COC[C@H](N[C@H](CN1CCOCC1)c1ccc(C)cc1)c1cccc(C(F)(F)F)c1 ZINC000480479044 895858246 /nfs/dbraw/zinc/85/82/46/895858246.db2.gz TUUJCJDORSZJCH-YADHBBJMSA-N 0 1 422.491 4.364 20 0 HIADMN COc1ccccc1CN(C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)C1CC1 ZINC000480486561 895862435 /nfs/dbraw/zinc/86/24/35/895862435.db2.gz JGMHWYNSEMCECJ-UHFFFAOYSA-N 0 1 408.527 4.072 20 0 HIADMN CCCOc1c(Cl)cc(CN[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000480494537 895866407 /nfs/dbraw/zinc/86/64/07/895866407.db2.gz GUALEGUYHDKWCV-IBGZPJMESA-N 0 1 420.912 4.167 20 0 HIADMN CCc1cc(=O)[nH]c(-c2ccc(NC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)nc2)n1 ZINC000480500122 895869710 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Cc1cccc(N2CCN(Cc3ccc(NC(=O)[C@@H]4CCC(=O)[C@H](C)C4)cc3)CC2)c1 ZINC000480576734 895937274 /nfs/dbraw/zinc/93/72/74/895937274.db2.gz DXZVPOAVNWODEX-IFMALSPDSA-N 0 1 419.569 4.261 20 0 HIADMN CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1C ZINC000480591162 895952906 /nfs/dbraw/zinc/95/29/06/895952906.db2.gz HULLMTYZOVASBV-ZSOFBXJNSA-N 0 1 406.933 4.378 20 0 HIADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000480600946 895964564 /nfs/dbraw/zinc/96/45/64/895964564.db2.gz KYZMCFLEIQHHAL-UHFFFAOYSA-N 0 1 405.380 4.066 20 0 HIADMN C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cc(Br)ccc1F ZINC000480618576 895985912 /nfs/dbraw/zinc/98/59/12/895985912.db2.gz YCTRBYJRDWEGQL-KGLIPLIRSA-N 0 1 408.315 4.059 20 0 HIADMN Cc1c([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)cnn1-c1cc(C)ccc1C ZINC000480630307 895998947 /nfs/dbraw/zinc/99/89/47/895998947.db2.gz KPILSUYUXYTHJJ-UXHICEINSA-N 0 1 419.573 4.268 20 0 HIADMN C[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(F)c(Br)c1 ZINC000480632514 896003190 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C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCc1nc2cccc(Cl)c2n1C ZINC000480714787 896075957 /nfs/dbraw/zinc/07/59/57/896075957.db2.gz NLPZDAWGGBYYJZ-AWEZNQCLSA-N 0 1 419.356 4.407 20 0 HIADMN COC(=O)c1ccccc1CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000480716943 896078059 /nfs/dbraw/zinc/07/80/59/896078059.db2.gz YRIOCSJJISJUQJ-UHFFFAOYSA-N 0 1 422.447 4.384 20 0 HIADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480727390 896087862 /nfs/dbraw/zinc/08/78/62/896087862.db2.gz JLKUXLACMRUNHJ-ICSRJNTNSA-N 0 1 424.488 4.096 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N(CCc1ccccc1F)C1CCCC1 ZINC000480737660 896098772 /nfs/dbraw/zinc/09/87/72/896098772.db2.gz UAQVJJIEESIPQD-UHFFFAOYSA-N 0 1 424.564 4.382 20 0 HIADMN CS(=O)(=O)CCCCCN[C@H](c1ccccc1)c1ccccc1Br ZINC000480751073 896113481 /nfs/dbraw/zinc/11/34/81/896113481.db2.gz QCZPNIASTIOXPL-LJQANCHMSA-N 0 1 410.377 4.343 20 0 HIADMN C[C@H](NCc1cccnc1Oc1cccc(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000480777843 896142169 /nfs/dbraw/zinc/14/21/69/896142169.db2.gz JBBNZQCPIFFFOB-HNNXBMFYSA-N 0 1 415.490 4.235 20 0 HIADMN Fc1ccccc1COc1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cn1 ZINC000480882908 896237832 /nfs/dbraw/zinc/23/78/32/896237832.db2.gz ZEOLWJWVWUFJJH-GOSISDBHSA-N 0 1 407.493 4.106 20 0 HIADMN C[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480889169 896246572 /nfs/dbraw/zinc/24/65/72/896246572.db2.gz KZPMFCWKFDMWAK-IFXJQAMLSA-N 0 1 406.548 4.253 20 0 HIADMN COc1ccccc1COc1cccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1C ZINC000480911161 896267705 /nfs/dbraw/zinc/26/77/05/896267705.db2.gz SPTGLHRTFNNWHV-OAHLLOKOSA-N 0 1 408.502 4.367 20 0 HIADMN C[C@@H](N[C@H](CC(F)(F)F)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000480912049 896269470 /nfs/dbraw/zinc/26/94/70/896269470.db2.gz QTNVUEMGLNJIFN-RDTXWAMCSA-N 0 1 400.466 4.281 20 0 HIADMN CC[C@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccccc1OC(F)F ZINC000480912376 896269536 /nfs/dbraw/zinc/26/95/36/896269536.db2.gz RVMKTXPEIGTUMG-IBGZPJMESA-N 0 1 414.456 4.364 20 0 HIADMN C[C@@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1cccc(OC(F)(F)F)c1 ZINC000480918358 896277626 /nfs/dbraw/zinc/27/76/26/896277626.db2.gz AJMQZGZJTPBLKZ-OAHLLOKOSA-N 0 1 418.419 4.271 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1n[nH]c(-c3cc(Cl)ccc3Cl)n1)C2 ZINC000480930038 896283073 /nfs/dbraw/zinc/28/30/73/896283073.db2.gz FALRKRGVZIPDCR-JTQLQIEISA-N 0 1 419.316 4.369 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1n[nH]c(-c3cc(Cl)ccc3Cl)n1)C2 ZINC000480930042 896283215 /nfs/dbraw/zinc/28/32/15/896283215.db2.gz FALRKRGVZIPDCR-SNVBAGLBSA-N 0 1 419.316 4.369 20 0 HIADMN CCS[C@H]1CCCCN(CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000480947854 896292312 /nfs/dbraw/zinc/29/23/12/896292312.db2.gz AQOOHIHCJNRTRE-HNNXBMFYSA-N 0 1 417.497 4.210 20 0 HIADMN Cc1ccnc(OC2CCN(Cc3nc4ccc(Br)cc4[nH]3)CC2)c1 ZINC000481028476 896356816 /nfs/dbraw/zinc/35/68/16/896356816.db2.gz UNAWEIPQHMIDSL-UHFFFAOYSA-N 0 1 401.308 4.072 20 0 HIADMN COc1ccc2ccccc2c1-c1cc(CN2CCC(O[C@@H]3CCOC3)CC2)on1 ZINC000481029980 896358148 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HIADMN O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)N[C@H]1CCCc2cn[nH]c21 ZINC000482392861 897927035 /nfs/dbraw/zinc/92/70/35/897927035.db2.gz HFNXRFIIRHSVGW-JSGCOSHPSA-N 0 1 406.330 4.409 20 0 HIADMN CN(C)Cc1cc(CNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)ccc1F ZINC000482409013 897951612 /nfs/dbraw/zinc/95/16/12/897951612.db2.gz AJPPUTAJAUXHJJ-KRWDZBQOSA-N 0 1 419.369 4.268 20 0 HIADMN CC[C@](C)(NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1nc(C)cs1 ZINC000482413004 897958454 /nfs/dbraw/zinc/95/84/54/897958454.db2.gz WUMOVTJWRPCTOC-IBGZPJMESA-N 0 1 401.561 4.079 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)n[nH]1 ZINC000482433159 897991559 /nfs/dbraw/zinc/99/15/59/897991559.db2.gz FOTYEGSLGLNUKN-LKFCYVNXSA-N 0 1 408.346 4.271 20 0 HIADMN CC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@]2(CCCOC2)O1 ZINC000482449151 898013751 /nfs/dbraw/zinc/01/37/51/898013751.db2.gz OXGJCIDGVNRYQT-RUZDIDTESA-N 0 1 418.541 4.094 20 0 HIADMN CC1(C)CN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@]2(CCCOC2)O1 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411.521 4.086 20 0 HIADMN C[C@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)N1CCc2ccccc2C1 ZINC000520611724 928671801 /nfs/dbraw/zinc/67/18/01/928671801.db2.gz VESJVFRXTDJOAR-QGZVFWFLSA-N 0 1 405.567 4.449 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2cc(NC(C)=O)ccc2C)cc1Cl ZINC000520638644 928693104 /nfs/dbraw/zinc/69/31/04/928693104.db2.gz QRUUWRQQECZPQG-UHFFFAOYSA-N 0 1 403.287 4.070 20 0 HIADMN Cc1c(Cl)cc(NC(=O)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1Cl ZINC000520660631 928705771 /nfs/dbraw/zinc/70/57/71/928705771.db2.gz ARZMEPWCFQCIRB-GOEBONIOSA-N 0 1 420.340 4.192 20 0 HIADMN FC(F)(F)c1ccc(CN2CCCN(Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000520662363 928707860 /nfs/dbraw/zinc/70/78/60/928707860.db2.gz CMUHWIMWIDSTAQ-UHFFFAOYSA-N 0 1 406.408 4.056 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520675672 928722083 /nfs/dbraw/zinc/72/20/83/928722083.db2.gz ZLCYZGGTECBFMV-XCLNPWKQSA-N 0 1 423.960 4.071 20 0 HIADMN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cccc(Br)c1O ZINC000520717789 928766796 /nfs/dbraw/zinc/76/67/96/928766796.db2.gz QWJQVPCTSUKXRX-UHFFFAOYSA-N 0 1 417.234 4.411 20 0 HIADMN COc1ccc(CN(C)C(=O)c2cccc(Br)c2O)cc1OC(F)F ZINC000520735430 928783884 /nfs/dbraw/zinc/78/38/84/928783884.db2.gz DXJNDJWGVHJSGU-UHFFFAOYSA-N 0 1 416.218 4.037 20 0 HIADMN COC(=O)c1sc2nc(C)nc(NC[C@H](C)N3CCc4sccc4C3)c2c1C ZINC000520748231 928797457 /nfs/dbraw/zinc/79/74/57/928797457.db2.gz BUXYWFBRRYHZSW-NSHDSACASA-N 0 1 416.572 4.015 20 0 HIADMN COc1cccc([C@H](CNC(=O)C2(c3ccc(C)c(OC)c3)CCCC2)N(C)C)c1 ZINC000520802070 928824972 /nfs/dbraw/zinc/82/49/72/928824972.db2.gz SXOXKBVCDARJRR-QFIPXVFZSA-N 0 1 410.558 4.243 20 0 HIADMN CC(C)N1CCN(C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000520866426 928851079 /nfs/dbraw/zinc/85/10/79/928851079.db2.gz INMQXSCGBWNXJP-UHFFFAOYSA-N 0 1 410.905 4.223 20 0 HIADMN C[C@@H](CNC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1)N1CCC(C)CC1 ZINC000520894196 928864585 /nfs/dbraw/zinc/86/45/85/928864585.db2.gz QJPIIGGDARQIHB-KRWDZBQOSA-N 0 1 405.970 4.065 20 0 HIADMN CC[C@@H](C)[C@@H](NCc1cccc2c1OCO2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000520964119 928892007 /nfs/dbraw/zinc/89/20/07/928892007.db2.gz GMKJQEITAPVMCW-VGOFRKELSA-N 0 1 409.530 4.159 20 0 HIADMN CN(C)[C@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1cccc(Cl)c1 ZINC000521061704 928967563 /nfs/dbraw/zinc/96/75/63/928967563.db2.gz LZWUMNIBLFZPHX-FQEVSTJZSA-N 0 1 403.979 4.130 20 0 HIADMN CCOCCOc1c(Cl)cccc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000521081687 928979099 /nfs/dbraw/zinc/97/90/99/928979099.db2.gz KSDDICRYAHSGAV-IBGZPJMESA-N 0 1 423.916 4.319 20 0 HIADMN CCc1ccc(-c2nc(CC(=O)NC3CCN(Cc4ccncc4)CC3)cs2)cc1 ZINC000521102112 928995488 /nfs/dbraw/zinc/99/54/88/928995488.db2.gz JVZLHNWICZZOEN-UHFFFAOYSA-N 0 1 420.582 4.091 20 0 HIADMN O=S(=O)(Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1)c1ccccc1 ZINC000521104536 928996497 /nfs/dbraw/zinc/99/64/97/928996497.db2.gz NMBYZABRDFXMRZ-UHFFFAOYSA-N 0 1 421.927 4.115 20 0 HIADMN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1C[C@H]2CCCN2c2ccccc21 ZINC000521126123 929010445 /nfs/dbraw/zinc/01/04/45/929010445.db2.gz PQVFRYSMKQRBCO-MRXNPFEDSA-N 0 1 423.314 4.468 20 0 HIADMN CC(C)N(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1cccc(Cl)c1 ZINC000521194955 929054967 /nfs/dbraw/zinc/05/49/67/929054967.db2.gz FPHANZQXHSWTDJ-UHFFFAOYSA-N 0 1 414.977 4.415 20 0 HIADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)Nc1ccc(F)cc1F ZINC000521199549 929057822 /nfs/dbraw/zinc/05/78/22/929057822.db2.gz ZMCJYXOZKABFLA-UHFFFAOYSA-N 0 1 423.467 4.326 20 0 HIADMN C[C@@H](NC(=O)NC[C@H](C)N1CCc2ccccc2C1)c1nc(C(C)(C)C)cs1 ZINC000521239539 929074099 /nfs/dbraw/zinc/07/40/99/929074099.db2.gz NZOOENMSQTVYPY-JKSUJKDBSA-N 0 1 400.592 4.248 20 0 HIADMN O=C(Cc1n[nH]c2ccccc21)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000521292958 929106117 /nfs/dbraw/zinc/10/61/17/929106117.db2.gz BVTDSJLDQAQZPA-UHFFFAOYSA-N 0 1 400.410 4.469 20 0 HIADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000521309313 929117364 /nfs/dbraw/zinc/11/73/64/929117364.db2.gz IZIIROKSPWZLBY-ZWKOTPCHSA-N 0 1 405.498 4.411 20 0 HIADMN COc1ccc(-c2cnc(CCc3nc(-c4cc5nc[nH]c5c(C)c4)no3)o2)cc1 ZINC000521322208 929137034 /nfs/dbraw/zinc/13/70/34/929137034.db2.gz CPKMGEPGQGLREI-UHFFFAOYSA-N 0 1 401.426 4.370 20 0 HIADMN O=C(CCn1cnc2ccccc21)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000521351314 929171228 /nfs/dbraw/zinc/17/12/28/929171228.db2.gz VNRRTNKOLNUQQQ-HXUWFJFHSA-N 0 1 410.949 4.251 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@@H](C)c3nnc(-c4ccccc4)o3)n2)c(OC)c1 ZINC000521359542 929179761 /nfs/dbraw/zinc/17/97/61/929179761.db2.gz IPAQOZGMZZMIBR-LBPRGKRZSA-N 0 1 409.471 4.392 20 0 HIADMN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c(C)c1 ZINC000521448505 929226336 /nfs/dbraw/zinc/22/63/36/929226336.db2.gz UUEARUIXIRZYCI-OALUTQOASA-N 0 1 422.573 4.092 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N1CCC(OCCC(C)C)CC1)N1CCCC1 ZINC000521450862 929227191 /nfs/dbraw/zinc/22/71/91/929227191.db2.gz OJBKFUVJMCCARC-QFIPXVFZSA-N 0 1 417.594 4.069 20 0 HIADMN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N(CC)CC)cc1 ZINC000521459148 929230583 /nfs/dbraw/zinc/23/05/83/929230583.db2.gz PZNMYYJJJZPKTL-LPHOPBHVSA-N 0 1 400.523 4.013 20 0 HIADMN CC[C@H](NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)c1cc(C)ccc1OC ZINC000521474185 929237758 /nfs/dbraw/zinc/23/77/58/929237758.db2.gz QGTZLNRIYJKQSH-SQJMNOBHSA-N 0 1 421.541 4.469 20 0 HIADMN COc1cc(CNC(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)ccc1C ZINC000521494319 929251470 /nfs/dbraw/zinc/25/14/70/929251470.db2.gz SSCOORPLMCPGSI-OAQYLSRUSA-N 0 1 411.546 4.039 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)c1ccco1 ZINC000521518353 929271273 /nfs/dbraw/zinc/27/12/73/929271273.db2.gz PRXXPSJVDODHLS-PMACEKPBSA-N 0 1 415.534 4.226 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(F)c1 ZINC000521527173 929276064 /nfs/dbraw/zinc/27/60/64/929276064.db2.gz GNZBSIMJIPUJIZ-UHFFFAOYSA-N 0 1 408.838 4.434 20 0 HIADMN CCOCCCNC(=O)[C@@H](C)N[C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000521648452 929344513 /nfs/dbraw/zinc/34/45/13/929344513.db2.gz ZTXONYDVEATMPS-DZGCQCFKSA-N 0 1 409.983 4.354 20 0 HIADMN Cc1ccc(Oc2ccccc2CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000521650532 929344988 /nfs/dbraw/zinc/34/49/88/929344988.db2.gz LKBWFPUNJZZFOQ-UHFFFAOYSA-N 0 1 423.557 4.041 20 0 HIADMN CCc1oc2ccccc2c1CN(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000521670304 929358314 /nfs/dbraw/zinc/35/83/14/929358314.db2.gz KNPMIMJMTRGDBC-UHFFFAOYSA-N 0 1 401.528 4.300 20 0 HIADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc(CN4CCCC4=O)cc3)n2)cc1 ZINC000521697252 929372365 /nfs/dbraw/zinc/37/23/65/929372365.db2.gz ZVXDHELTJFSKIB-UHFFFAOYSA-N 0 1 417.513 4.144 20 0 HIADMN O=C1C[C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)CN1c1ccccc1Cl ZINC000521840364 929492935 /nfs/dbraw/zinc/49/29/35/929492935.db2.gz PBEATNNVINWHCN-CQSZACIVSA-N 0 1 407.297 4.050 20 0 HIADMN COc1ccc(-c2nc3c(s2)[C@@H](NCc2cnc(N4CCCC4)nc2)CCC3)cc1 ZINC000521862270 929512677 /nfs/dbraw/zinc/51/26/77/929512677.db2.gz YKDSJFPTKBOOOR-IBGZPJMESA-N 0 1 421.570 4.376 20 0 HIADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000521895349 929541925 /nfs/dbraw/zinc/54/19/25/929541925.db2.gz VTWYUBQPLDWSQH-INIZCTEOSA-N 0 1 405.464 4.466 20 0 HIADMN CN(Cc1ccccc1N1CCCC1)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000521922041 929564282 /nfs/dbraw/zinc/56/42/82/929564282.db2.gz SVLBYDUVXARRPO-UHFFFAOYSA-N 0 1 413.319 4.198 20 0 HIADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000521945441 929580637 /nfs/dbraw/zinc/58/06/37/929580637.db2.gz TXYDJCTUMLJUEI-GOTSBHOMSA-N 0 1 424.589 4.311 20 0 HIADMN CN1CCN(C[C@H](NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)c2ccccc2)CC1 ZINC000521949469 929583665 /nfs/dbraw/zinc/58/36/65/929583665.db2.gz PJYUZLXNFJBAGR-QHCPKHFHSA-N 0 1 422.960 4.054 20 0 HIADMN Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)cc2)n1 ZINC000521954313 929588523 /nfs/dbraw/zinc/58/85/23/929588523.db2.gz BVGRDNRWYYDGMN-QFIPXVFZSA-N 0 1 415.497 4.398 20 0 HIADMN CCc1c(NC(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)[nH]nc1-c1ccncc1 ZINC000524487203 929633451 /nfs/dbraw/zinc/63/34/51/929633451.db2.gz SZNZSYFDOIUBFK-CQSZACIVSA-N 0 1 403.490 4.311 20 0 HIADMN Cc1ccc(SCc2cccc(C(=O)NC3(c4nn[nH]n4)CCCC3)c2)c(C)c1 ZINC000524575590 929696458 /nfs/dbraw/zinc/69/64/58/929696458.db2.gz DOGIGGVBTQBQQA-UHFFFAOYSA-N 0 1 407.543 4.308 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C\c2nc(C(C)(C)C)no2)cc1 ZINC000524630959 929741205 /nfs/dbraw/zinc/74/12/05/929741205.db2.gz FJJPYSVPFBDWLU-KAMYIIQDSA-N 0 1 413.499 4.347 20 0 HIADMN COc1cc2c(c(CN[C@H](Cc3ccccc3)C(=O)Nc3ccccc3)c1)O[C@@H](C)C2 ZINC000524686881 929799194 /nfs/dbraw/zinc/79/91/94/929799194.db2.gz OTKDALSYOKQNRO-MHECFPHRSA-N 0 1 416.521 4.358 20 0 HIADMN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000524712922 929807833 /nfs/dbraw/zinc/80/78/33/929807833.db2.gz GBFIZWWDIBEAPZ-CQSZACIVSA-N 0 1 402.429 4.126 20 0 HIADMN O=C(NCC(C1CC1)C1CC1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000524787873 929829379 /nfs/dbraw/zinc/82/93/79/929829379.db2.gz HZVKEYUUDSMDKI-UHFFFAOYSA-N 0 1 409.496 4.359 20 0 HIADMN CSc1ccc(O[C@H](C)C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1 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CCOc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000539243835 938824571 /nfs/dbraw/zinc/82/45/71/938824571.db2.gz LSPLHOGZBIJZFO-HRAATJIYSA-N 0 1 400.494 4.247 20 0 HIADMN CC[C@H](N[C@H](C)C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1OC(F)F ZINC000539251130 938826090 /nfs/dbraw/zinc/82/60/90/938826090.db2.gz KPWMFYZUNGOIQX-JLSDUUJJSA-N 0 1 404.457 4.357 20 0 HIADMN C[C@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)NCCc1cccs1 ZINC000539254862 938827433 /nfs/dbraw/zinc/82/74/33/938827433.db2.gz YUDGODOAFBGHQO-ROUUACIJSA-N 0 1 409.555 4.120 20 0 HIADMN CC[C@H](NCc1nc2ccccc2nc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539256949 938828012 /nfs/dbraw/zinc/82/80/12/938828012.db2.gz LVORMNMMBUSLFH-FQEVSTJZSA-N 0 1 418.541 4.180 20 0 HIADMN COc1cc(-c2noc(CN[C@@H](C)C(C)(C)c3ccccc3)n2)cc(OC)c1OC ZINC000539256653 938828145 /nfs/dbraw/zinc/82/81/45/938828145.db2.gz GGAGWCMIRBONPJ-HNNXBMFYSA-N 0 1 411.502 4.218 20 0 HIADMN CC[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)c1ccccc1OCc1ccccc1Br ZINC000539260353 938828854 /nfs/dbraw/zinc/82/88/54/938828854.db2.gz AGBIOFJHEQJCPO-INIZCTEOSA-N 0 1 417.307 4.093 20 0 HIADMN CC(C)[C@H](NCC(=O)Nc1nnc(-c2ccco2)o1)c1cccc(C(F)(F)F)c1 ZINC000539260623 938828941 /nfs/dbraw/zinc/82/89/41/938828941.db2.gz XYKDLFZQFYVULU-INIZCTEOSA-N 0 1 408.380 4.274 20 0 HIADMN COc1cc(C)c([C@@H](C)NC(=O)CN[C@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000539263832 938829568 /nfs/dbraw/zinc/82/95/68/938829568.db2.gz VEEMQSMARHBPJG-QZTJIDSGSA-N 0 1 414.546 4.327 20 0 HIADMN CCOc1ccc([C@@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1OCC ZINC000539265706 938829857 /nfs/dbraw/zinc/82/98/57/938829857.db2.gz KKPGHWKDZWMPFJ-SJORKVTESA-N 0 1 402.510 4.493 20 0 HIADMN COc1cc(NC(=O)CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc(OC)c1 ZINC000539279092 938832491 /nfs/dbraw/zinc/83/24/91/938832491.db2.gz LAHQAGGJHHDGAB-CQSZACIVSA-N 0 1 411.527 4.425 20 0 HIADMN COC(=O)c1sccc1NC(=O)CN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000539282818 938833019 /nfs/dbraw/zinc/83/30/19/938833019.db2.gz ZVVHRSAROJGSHG-LBPRGKRZSA-N 0 1 415.540 4.256 20 0 HIADMN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539290093 938834533 /nfs/dbraw/zinc/83/45/33/938834533.db2.gz VQFZWCBTHUACGA-SJORKVTESA-N 0 1 420.488 4.459 20 0 HIADMN Cc1ccc(S(=O)(=O)c2ccc(CN[C@@H](CCCO)c3ccccc3)cc2)cc1 ZINC000539294231 938835310 /nfs/dbraw/zinc/83/53/10/938835310.db2.gz ZIGFNDYWVDRRQW-DEOSSOPVSA-N 0 1 409.551 4.431 20 0 HIADMN O=C(CN[C@H](CCCO)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000539298808 938836572 /nfs/dbraw/zinc/83/65/72/938836572.db2.gz PFHXHADGAIVJDY-QGZVFWFLSA-N 0 1 400.828 4.401 20 0 HIADMN CCSc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000539302590 938837057 /nfs/dbraw/zinc/83/70/57/938837057.db2.gz AWSLHDYHKCGEBK-INIZCTEOSA-N 0 1 402.560 4.125 20 0 HIADMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000539310298 938838759 /nfs/dbraw/zinc/83/87/59/938838759.db2.gz QILYXKFPFCVJCD-ZDUSSCGKSA-N 0 1 406.313 4.410 20 0 HIADMN COC[C@H](NCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 ZINC000539310704 938838992 /nfs/dbraw/zinc/83/89/92/938838992.db2.gz INJYZFUOSKCLFO-URXFXBBRSA-N 0 1 406.551 4.200 20 0 HIADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000539310636 938839024 /nfs/dbraw/zinc/83/90/24/938839024.db2.gz GPEIBQHMYCJZBL-OXQOHEQNSA-N 0 1 411.571 4.062 20 0 HIADMN O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000539325071 938841611 /nfs/dbraw/zinc/84/16/11/938841611.db2.gz CVRDBFPPIYZQBT-GFCCVEGCSA-N 0 1 420.275 4.332 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2sc(C3CCCCC3)nc2C)c1 ZINC000539326684 938841900 /nfs/dbraw/zinc/84/19/00/938841900.db2.gz OZGROCKXOMJOKT-UHFFFAOYSA-N 0 1 408.545 4.251 20 0 HIADMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1OC ZINC000539326498 938842037 /nfs/dbraw/zinc/84/20/37/938842037.db2.gz OEOWLDHJBSLVGX-CABCVRRESA-N 0 1 416.493 4.310 20 0 HIADMN CC(C)[C@@H](NCC(=O)Nc1ccnn1Cc1cccs1)c1ccc(F)cc1F ZINC000539328003 938842541 /nfs/dbraw/zinc/84/25/41/938842541.db2.gz LRHOFKVHYRBXBX-HXUWFJFHSA-N 0 1 404.486 4.197 20 0 HIADMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000539335531 938843777 /nfs/dbraw/zinc/84/37/77/938843777.db2.gz ODTWEISGXRMACK-UONOGXRCSA-N 0 1 409.490 4.299 20 0 HIADMN C[C@@H](NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000539336135 938844049 /nfs/dbraw/zinc/84/40/49/938844049.db2.gz DPBNZNKFRPGXJZ-RTWAWAEBSA-N 0 1 414.553 4.042 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1cnn(C)c1-c1ccccc1)N1CCCCC1 ZINC000539336230 938844123 /nfs/dbraw/zinc/84/41/23/938844123.db2.gz DPMCJYWUDVTKKM-JOCHJYFZSA-N 0 1 418.541 4.053 20 0 HIADMN Cc1cccc(OCCCNC(=O)CN[C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000539337713 938844370 /nfs/dbraw/zinc/84/43/70/938844370.db2.gz URTNARSBJLGAGJ-HXUWFJFHSA-N 0 1 403.526 4.293 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccccc3SC)ccc2NC1=O ZINC000539357608 938847567 /nfs/dbraw/zinc/84/75/67/938847567.db2.gz NGDMSYXAUITBAI-LBTNJELSSA-N 0 1 413.543 4.196 20 0 HIADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)cc1 ZINC000539361018 938848452 /nfs/dbraw/zinc/84/84/52/938848452.db2.gz ZXVSZEWUOFWKSJ-DVSDUFGPSA-N 0 1 423.557 4.275 20 0 HIADMN COC[C@H](O)CN[C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000539362117 938848769 /nfs/dbraw/zinc/84/87/69/938848769.db2.gz MDBUTUXUDBGUNR-KZULUSFZSA-N 0 1 416.718 4.122 20 0 HIADMN Cc1cc([C@@H](C)NCCS(=O)(=O)c2ccc(Br)cc2)c(C)s1 ZINC000539361844 938848847 /nfs/dbraw/zinc/84/88/47/938848847.db2.gz GIHOSRUUFUDNRG-GFCCVEGCSA-N 0 1 402.379 4.252 20 0 HIADMN Cc1c([C@H](C)N[C@H](C)C(=O)NCc2ccccc2Cl)cnn1-c1ccc(F)cc1 ZINC000539365480 938849369 /nfs/dbraw/zinc/84/93/69/938849369.db2.gz WQFRWIAWYKHFMN-LSDHHAIUSA-N 0 1 414.912 4.329 20 0 HIADMN COc1ccc(CNC(=O)CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)cc1 ZINC000539370573 938850339 /nfs/dbraw/zinc/85/03/39/938850339.db2.gz MZXBWFRWJIREQM-MRXNPFEDSA-N 0 1 409.555 4.403 20 0 HIADMN CS(=O)(=O)C[C@H](NCCSc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000539376301 938851301 /nfs/dbraw/zinc/85/13/01/938851301.db2.gz ALWXUYQLWVYLKE-INIZCTEOSA-N 0 1 404.384 4.461 20 0 HIADMN COc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 ZINC000539378973 938851889 /nfs/dbraw/zinc/85/18/89/938851889.db2.gz IHBAMWGQRBHRNS-FQEVSTJZSA-N 0 1 421.545 4.413 20 0 HIADMN Cn1ccnc1[C@H](NCCOc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000539409709 938856717 /nfs/dbraw/zinc/85/67/17/938856717.db2.gz VYVVBNVJRYSRBE-OAHLLOKOSA-N 0 1 418.257 4.321 20 0 HIADMN CCC[C@H]1CN(C(=O)CCc2nnc(-c3ccccc3)o2)CCN1Cc1ccccc1 ZINC000539426564 938858859 /nfs/dbraw/zinc/85/88/59/938858859.db2.gz HYLYHURTOQNBJL-QFIPXVFZSA-N 0 1 418.541 4.182 20 0 HIADMN CCC[C@@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)CCN1Cc1ccccc1 ZINC000539431981 938859617 /nfs/dbraw/zinc/85/96/17/938859617.db2.gz IVXAFVZYXMCLAG-JOCHJYFZSA-N 0 1 420.582 4.261 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]2C(C)C)c1 ZINC000539454530 938863104 /nfs/dbraw/zinc/86/31/04/938863104.db2.gz ZDWFRJJZGDGRLC-GOSISDBHSA-N 0 1 422.934 4.020 20 0 HIADMN COc1cccc2cc([C@H](C)NCc3ccccc3CS(=O)(=O)NC(C)C)oc21 ZINC000539496334 938868635 /nfs/dbraw/zinc/86/86/35/938868635.db2.gz LESIQTRUZSALLC-INIZCTEOSA-N 0 1 416.543 4.120 20 0 HIADMN Cc1nc(-c2ccc(CNCc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cs1 ZINC000539497716 938868894 /nfs/dbraw/zinc/86/88/94/938868894.db2.gz SAJOLUNAOPPQHE-UHFFFAOYSA-N 0 1 404.539 4.206 20 0 HIADMN COc1cccc2cc([C@@H](C)NCc3cccc(C(=O)NC[C@H]4CCCO4)c3)oc21 ZINC000539498314 938868934 /nfs/dbraw/zinc/86/89/34/938868934.db2.gz FJADKJLTIHXTBB-OXQOHEQNSA-N 0 1 408.498 4.201 20 0 HIADMN Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000539505316 938870177 /nfs/dbraw/zinc/87/01/77/938870177.db2.gz UAHXIVHECQNPFI-RTWAWAEBSA-N 0 1 415.969 4.147 20 0 HIADMN C[C@H](N[C@H]1CCCOc2c(Cl)cccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000539509938 938870722 /nfs/dbraw/zinc/87/07/22/938870722.db2.gz JZBWAMBEKTVCFQ-LIRRHRJNSA-N 0 1 408.951 4.155 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2cc(C)n(C3CCCCC3)n2)N2CCCC2)c1 ZINC000539560514 938880093 /nfs/dbraw/zinc/88/00/93/938880093.db2.gz SKPADNWHYPHZPY-QHCPKHFHSA-N 0 1 410.562 4.272 20 0 HIADMN CNC(=O)Cc1nc(CN(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cs1 ZINC000539577196 938882456 /nfs/dbraw/zinc/88/24/56/938882456.db2.gz OEUAHUKZPQMLEM-IRXDYDNUSA-N 0 1 411.493 4.219 20 0 HIADMN CC[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(OC(F)F)cc1 ZINC000539650523 938893832 /nfs/dbraw/zinc/89/38/32/938893832.db2.gz HLEGWXSZDRZMML-PMACEKPBSA-N 0 1 403.473 4.301 20 0 HIADMN CC[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cccc(Br)c1 ZINC000539651705 938894103 /nfs/dbraw/zinc/89/41/03/938894103.db2.gz YFYYKJOCJKINMP-VQTJNVASSA-N 0 1 416.363 4.462 20 0 HIADMN C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000539652194 938894159 /nfs/dbraw/zinc/89/41/59/938894159.db2.gz NCSIYBWRPOLEEG-YWZLYKJASA-N 0 1 421.463 4.251 20 0 HIADMN CC[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cccc(Br)c1 ZINC000539651707 938894305 /nfs/dbraw/zinc/89/43/05/938894305.db2.gz YFYYKJOCJKINMP-WOJBJXKFSA-N 0 1 416.363 4.462 20 0 HIADMN Cc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)nn1-c1ccc(F)cc1 ZINC000539707372 938907664 /nfs/dbraw/zinc/90/76/64/938907664.db2.gz GPKHOJISENPGRK-HXUWFJFHSA-N 0 1 416.460 4.082 20 0 HIADMN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)nn1-c1ccc(F)cc1 ZINC000539707372 938907665 /nfs/dbraw/zinc/90/76/65/938907665.db2.gz GPKHOJISENPGRK-HXUWFJFHSA-N 0 1 416.460 4.082 20 0 HIADMN COc1ccc([C@H](CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)N2CCCC2)cc1 ZINC000539728744 938914905 /nfs/dbraw/zinc/91/49/05/938914905.db2.gz BASJNMBFEMQWIM-FQEVSTJZSA-N 0 1 421.463 4.091 20 0 HIADMN O=C(c1csc([C@@H]2CCCO2)n1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539745985 938919359 /nfs/dbraw/zinc/91/93/59/938919359.db2.gz LTLSPZFBRFUHJB-WBVHZDCISA-N 0 1 415.563 4.180 20 0 HIADMN Cn1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(-c2cccs2)n1 ZINC000539748755 938920004 /nfs/dbraw/zinc/92/00/04/938920004.db2.gz XMQJHFAIQQGXMD-MRXNPFEDSA-N 0 1 424.574 4.334 20 0 HIADMN Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539751077 938920599 /nfs/dbraw/zinc/92/05/99/938920599.db2.gz HSNAZCDUQSSJGS-LJQANCHMSA-N 0 1 413.481 4.455 20 0 HIADMN O=C(Cc1coc(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539751436 938920791 /nfs/dbraw/zinc/92/07/91/938920791.db2.gz IWWQFZKRWUETTQ-LJQANCHMSA-N 0 1 413.481 4.075 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1n[nH]c(C2CC2)c1Br ZINC000539758028 938925368 /nfs/dbraw/zinc/92/53/68/938925368.db2.gz NPLQPNJMDKPRQE-UHFFFAOYSA-N 0 1 423.274 4.240 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000539761819 938926905 /nfs/dbraw/zinc/92/69/05/938926905.db2.gz NSHLSHYLEIYMDC-UHFFFAOYSA-N 0 1 416.456 4.451 20 0 HIADMN CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539764490 938929101 /nfs/dbraw/zinc/92/91/01/938929101.db2.gz BHCREWJKPIBATO-WIYYLYMNSA-N 0 1 419.529 4.077 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000539766121 938929583 /nfs/dbraw/zinc/92/95/83/938929583.db2.gz NSTRSRARIMCBDW-HOCLYGCPSA-N 0 1 416.957 4.107 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539766121 938929588 /nfs/dbraw/zinc/92/95/88/938929588.db2.gz NSTRSRARIMCBDW-HOCLYGCPSA-N 0 1 416.957 4.107 20 0 HIADMN C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000539766732 938930680 /nfs/dbraw/zinc/93/06/80/938930680.db2.gz NFHZEMAMTDFEAW-APWZRJJASA-N 0 1 400.486 4.462 20 0 HIADMN COCCC[C@H](C)C(=O)Nc1ccc(CN2CCN(c3cccc(C)c3)CC2)cc1 ZINC000539779325 938933778 /nfs/dbraw/zinc/93/37/78/938933778.db2.gz SRZHSGRJLGQTRB-NRFANRHFSA-N 0 1 409.574 4.318 20 0 HIADMN O=C(c1ccc(CNC(c2ccc(F)cc2)c2ccc(F)cc2)cc1)N1CCOCC1 ZINC000539809374 938938986 /nfs/dbraw/zinc/93/89/86/938938986.db2.gz JOLFIQBVSBOLRZ-UHFFFAOYSA-N 0 1 422.475 4.316 20 0 HIADMN COc1ccc([C@H](CO)N(C)Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000539827304 938948424 /nfs/dbraw/zinc/94/84/24/938948424.db2.gz PHSGCDKEHFCCDJ-DEOSSOPVSA-N 0 1 414.509 4.108 20 0 HIADMN O=C(COc1cccc(F)c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539892152 938968599 /nfs/dbraw/zinc/96/85/99/938968599.db2.gz ZCEZBLWIZQGLQG-UHFFFAOYSA-N 0 1 403.282 4.374 20 0 HIADMN CNc1snc(C)c1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539892628 938969336 /nfs/dbraw/zinc/96/93/36/938969336.db2.gz IKQLFCPGVWWRPV-UHFFFAOYSA-N 0 1 405.352 4.276 20 0 HIADMN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000539906249 938975265 /nfs/dbraw/zinc/97/52/65/938975265.db2.gz MAQSZNZTMBLYMN-UHFFFAOYSA-N 0 1 416.275 4.244 20 0 HIADMN COc1ccccc1COC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000539907758 938975705 /nfs/dbraw/zinc/97/57/05/938975705.db2.gz ZSAOFJGXKNPWTN-UHFFFAOYSA-N 0 1 409.461 4.046 20 0 HIADMN Cc1[nH]nc2cc(NC(=O)c3cc(I)ccc3Cl)ccc12 ZINC000539908943 938975819 /nfs/dbraw/zinc/97/58/19/938975819.db2.gz NFSKHKRUHGZQEF-UHFFFAOYSA-N 0 1 411.630 4.382 20 0 HIADMN C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000539946570 938980283 /nfs/dbraw/zinc/98/02/83/938980283.db2.gz CALVVDSAFPGREN-QITLCBANSA-N 0 1 403.404 4.212 20 0 HIADMN O=C(CC1(CC(=O)Nc2ccccc2-c2nnc[nH]2)CCCCC1)Nc1nccs1 ZINC000539970745 938982506 /nfs/dbraw/zinc/98/25/06/938982506.db2.gz NDLONWDFGDNXBG-UHFFFAOYSA-N 0 1 424.530 4.236 20 0 HIADMN COCCc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCc4nc[nH]c4C3)cc2)cc1 ZINC000563573371 945221005 /nfs/dbraw/zinc/22/10/05/945221005.db2.gz IADHJGSDHSBGNR-GOSISDBHSA-N 0 1 406.486 4.070 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OC3CCCCC3)cc2)c1 ZINC000539998175 939034006 /nfs/dbraw/zinc/03/40/06/939034006.db2.gz GPTBSAOKHNLDLG-UHFFFAOYSA-N 0 1 403.500 4.150 20 0 HIADMN CC(C)c1oc([C@@H]2CCCN2c2cc(-n3cccn3)nc(N)n2)nc1-c1ccccc1 ZINC000540077345 939060860 /nfs/dbraw/zinc/06/08/60/939060860.db2.gz FZWDSMVCNZLDNI-KRWDZBQOSA-N 0 1 415.501 4.364 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000540080410 939061568 /nfs/dbraw/zinc/06/15/68/939061568.db2.gz QRJPKJCCVACTRC-INIZCTEOSA-N 0 1 408.355 4.384 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000540080796 939062038 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C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000540787122 939372022 /nfs/dbraw/zinc/37/20/22/939372022.db2.gz CCZIQYUOYYDSPI-HYBUGGRVSA-N 0 1 411.615 4.109 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000540822436 939383970 /nfs/dbraw/zinc/38/39/70/939383970.db2.gz ITFGTOUMKAASJH-OALUTQOASA-N 0 1 423.001 4.197 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)CC1 ZINC000540822434 939384045 /nfs/dbraw/zinc/38/40/45/939384045.db2.gz ITFGTOUMKAASJH-MOPGFXCFSA-N 0 1 423.001 4.197 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1)c1cccs1 ZINC000540824265 939384956 /nfs/dbraw/zinc/38/49/56/939384956.db2.gz MHWRVUWYEFDHCX-KRWDZBQOSA-N 0 1 407.499 4.376 20 0 HIADMN Cc1nc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)cc2nc1C ZINC000540844066 939392294 /nfs/dbraw/zinc/39/22/94/939392294.db2.gz WVJBFGOPTRZPCE-IBGZPJMESA-N 0 1 418.545 4.432 20 0 HIADMN O=C(Cc1ccc(OC(F)F)cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540850849 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COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)c1 ZINC000544320852 940390074 /nfs/dbraw/zinc/39/00/74/940390074.db2.gz JOIIDRVGJOYBAP-YCRPNKLZSA-N 0 1 421.497 4.326 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H](O)CCc2ccccc2)c1 ZINC000544334211 940392945 /nfs/dbraw/zinc/39/29/45/940392945.db2.gz FUZSGSHAPXWKRV-VWLOTQADSA-N 0 1 402.538 4.042 20 0 HIADMN Cc1[nH]c(SCC(=O)NCCc2ccc(F)c(F)c2F)nc1Cc1ccccc1 ZINC000544341588 940394721 /nfs/dbraw/zinc/39/47/21/940394721.db2.gz FAQLHCVAOUVDJJ-UHFFFAOYSA-N 0 1 419.472 4.177 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(OCC2CC2)cc1 ZINC000544357992 940399831 /nfs/dbraw/zinc/39/98/31/940399831.db2.gz GRWWTQSOCLAEER-GOSISDBHSA-N 0 1 416.403 4.132 20 0 HIADMN Cc1cccc(OCCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1C ZINC000544358109 940399850 /nfs/dbraw/zinc/39/98/50/940399850.db2.gz AHFODBOBPIWJBE-IBGZPJMESA-N 0 1 418.419 4.115 20 0 HIADMN C[C@@H](CC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000544359930 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HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)N3CCc4ccccc4C3)s2)cc1 ZINC000544471133 940446105 /nfs/dbraw/zinc/44/61/05/940446105.db2.gz SLJORQAQVUBGOM-MRXNPFEDSA-N 0 1 421.566 4.363 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)Nc1cccc2nsnc21 ZINC000544485932 940453022 /nfs/dbraw/zinc/45/30/22/940453022.db2.gz BQOYLFCAHMVIGN-GFCCVEGCSA-N 0 1 409.540 4.413 20 0 HIADMN COc1cccc(-c2noc([C@@H](C)NCCCc3nc(-c4ccccc4)no3)n2)c1 ZINC000544516010 940467904 /nfs/dbraw/zinc/46/79/04/940467904.db2.gz UPMAYUNQVOIQBR-OAHLLOKOSA-N 0 1 405.458 4.079 20 0 HIADMN Cc1onc(-c2ccccc2)c1-c1nnc(CN[C@@H](C)[C@@H]2COc3ccccc32)o1 ZINC000544522755 940470943 /nfs/dbraw/zinc/47/09/43/940470943.db2.gz NGQCJYCZIVWPNJ-KSSFIOAISA-N 0 1 402.454 4.354 20 0 HIADMN CN(CC(=O)Nc1ccc(Br)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544525283 940471262 /nfs/dbraw/zinc/47/12/62/940471262.db2.gz CTHNMLBVHKYMLM-OALUTQOASA-N 0 1 421.310 4.379 20 0 HIADMN CN1CCN(C)[C@H](CNC(=O)c2ccc(Cl)cc2Sc2ccc(Cl)cc2)C1 ZINC000544561533 940479577 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20 0 HIADMN CC(C)(CN[C@@H](c1nnc[nH]1)c1cccnc1)c1ccc(Br)cc1Cl ZINC000559892069 944077442 /nfs/dbraw/zinc/07/74/42/944077442.db2.gz VLYGFADPPYDKOZ-MRXNPFEDSA-N 0 1 420.742 4.272 20 0 HIADMN Fc1ccc([C@H](N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c2c[nH]nn2)cc1 ZINC000559911628 944082547 /nfs/dbraw/zinc/08/25/47/944082547.db2.gz ZCRZHCZTGSOLER-LIRRHRJNSA-N 0 1 406.292 4.209 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1F ZINC000559949417 944097133 /nfs/dbraw/zinc/09/71/33/944097133.db2.gz CRHHOOYJEJBXJT-UHFFFAOYSA-N 0 1 411.760 4.085 20 0 HIADMN COc1cccc(C(=O)CCCC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000559984121 944111299 /nfs/dbraw/zinc/11/12/99/944111299.db2.gz QMRMFYSAWZMUPR-WZONZLPQSA-N 0 1 414.571 4.309 20 0 HIADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000559994465 944117657 /nfs/dbraw/zinc/11/76/57/944117657.db2.gz REGCDVQXGWGWJE-QZTJIDSGSA-N 0 1 411.373 4.058 20 0 HIADMN COc1cc(CNCc2cc(C)nn2C)ccc1OCCOc1ccccc1Cl ZINC000560077206 944150251 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C[C@]1(C2CC2)NC(=O)N(c2cccc(CN[C@H]3CC(C)(C)Cc4occc43)c2)C1=O ZINC000560267712 944213491 /nfs/dbraw/zinc/21/34/91/944213491.db2.gz DWQCVBXETQUHFQ-YADARESESA-N 0 1 407.514 4.308 20 0 HIADMN CCC[C@H](C(=O)NCCc1c(CC)[nH]n(Cc2ccccc2C)c1=O)c1ccccn1 ZINC000560422794 944230817 /nfs/dbraw/zinc/23/08/17/944230817.db2.gz NAVNTNRDWWQSKM-SFTDATJTSA-N 0 1 420.557 4.205 20 0 HIADMN COc1ccc2cc(-c3nn(-c4ccccc4)cc3CN(C)Cc3nnc[nH]3)ccc2c1 ZINC000560554785 944252597 /nfs/dbraw/zinc/25/25/97/944252597.db2.gz JIIUZFIGKKBHST-UHFFFAOYSA-N 0 1 424.508 4.451 20 0 HIADMN COc1cc(N[C@@H]2CCCN(Cc3cnc(-c4ccncc4)s3)C2)cc(OC)c1 ZINC000560585213 944264759 /nfs/dbraw/zinc/26/47/59/944264759.db2.gz QYHWCBWKBOXFON-QGZVFWFLSA-N 0 1 410.543 4.299 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C)Cn4ncc5ccccc54)C3)[nH]c2c1 ZINC000560601678 944270456 /nfs/dbraw/zinc/27/04/56/944270456.db2.gz YSHGKZUXNYHLIX-HKUYNNGSSA-N 0 1 401.514 4.263 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H](C)Cn4ncc5ccccc54)C3)[nH]c2c1 ZINC000560601681 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c1ccc(COc2ccc(CNCc3ccncc3OC[C@@H]3CCOC3)cc2)cc1 ZINC000561747329 944776851 /nfs/dbraw/zinc/77/68/51/944776851.db2.gz MTSBRMDXURBWKF-JOCHJYFZSA-N 0 1 404.510 4.366 20 0 HIADMN Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN([C@@H]4C[C@H]4C)C[C@H](C)C3)cc12 ZINC000561765387 944787216 /nfs/dbraw/zinc/78/72/16/944787216.db2.gz SBCYUKLKLLEQBW-RZQQEMMASA-N 0 1 408.571 4.198 20 0 HIADMN O=C(NCc1cc2ccccc2[nH]1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000561847317 944819974 /nfs/dbraw/zinc/81/99/74/944819974.db2.gz MXLRXQMDPIHGSO-SFHVURJKSA-N 0 1 406.534 4.423 20 0 HIADMN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000561879285 944834276 /nfs/dbraw/zinc/83/42/76/944834276.db2.gz UTSYSNHAGJVJBK-UHFFFAOYSA-N 0 1 417.296 4.484 20 0 HIADMN COC(=O)c1ccc(CNCc2cccc(Br)c2OC(F)F)cc1 ZINC000561936316 944864689 /nfs/dbraw/zinc/86/46/89/944864689.db2.gz WKZQYSJODDUXBM-UHFFFAOYSA-N 0 1 400.219 4.127 20 0 HIADMN Cc1ccc(CNC(=O)CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1F ZINC000561945820 944869963 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COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(CCC3CCCC3)n[nH]2)c1C ZINC000012104793 845853889 /nfs/dbraw/zinc/85/38/89/845853889.db2.gz FGMQEZRYPPPWAD-ZDUSSCGKSA-N 0 1 404.536 4.023 20 0 HIADMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(Br)cc2Cl)n1 ZINC000012260192 845864056 /nfs/dbraw/zinc/86/40/56/845864056.db2.gz UGNYFNWCDYNEEZ-UHFFFAOYSA-N 0 1 403.733 4.249 20 0 HIADMN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326213 845868177 /nfs/dbraw/zinc/86/81/77/845868177.db2.gz VDJVXVUVHYTBMJ-REWPJTCUSA-N 0 1 419.569 4.164 20 0 HIADMN CC(C)NS(=O)(=O)Cc1ccccc1CNC1c2ccccc2-c2ccccc21 ZINC000012739373 845887635 /nfs/dbraw/zinc/88/76/35/845887635.db2.gz XMCMYNCDTLYPOX-UHFFFAOYSA-N 0 1 406.551 4.374 20 0 HIADMN COCCCn1c(C)cc(C(=O)CSc2nc(C=Cc3ccccc3)n[nH]2)c1C ZINC000012835209 845892894 /nfs/dbraw/zinc/89/28/94/845892894.db2.gz MQPUKOYOKZBPKP-ZHACJKMWSA-N 0 1 410.543 4.405 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)n2)o1 ZINC000012844305 845895352 /nfs/dbraw/zinc/89/53/52/845895352.db2.gz MVUNUYHIDTXRHN-VNDWYCCKSA-N 0 1 400.479 4.327 20 0 HIADMN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000014281904 845933742 /nfs/dbraw/zinc/93/37/42/845933742.db2.gz AEZYAQMBOLAFJQ-FQEVSTJZSA-N 0 1 419.554 4.212 20 0 HIADMN COc1ccc(C(=O)C2CCN(C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000014327490 845937551 /nfs/dbraw/zinc/93/75/51/845937551.db2.gz SVNUMBKHNKGXHF-QHCPKHFHSA-N 0 1 419.521 4.183 20 0 HIADMN C[C@@H](NC(=O)c1cn[nH]c1-c1cnn(C)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000436318512 861622928 /nfs/dbraw/zinc/62/29/28/861622928.db2.gz NOGCNQLMXFLPAZ-OAHLLOKOSA-N 0 1 419.460 4.019 20 0 HIADMN CCC[C@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1 ZINC000015044666 846004161 /nfs/dbraw/zinc/00/41/61/846004161.db2.gz SQLGPQJGNDNZSM-NQIIRXRSSA-N 0 1 423.557 4.089 20 0 HIADMN CSCc1c2ccccc2oc1C(=O)NNC(=O)c1ccccc1Br ZINC000015346105 846037789 /nfs/dbraw/zinc/03/77/89/846037789.db2.gz QJHUSMNDRXXMNE-UHFFFAOYSA-N 0 1 419.300 4.133 20 0 HIADMN COc1ccc(OCCN[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1 ZINC000015506867 846056333 /nfs/dbraw/zinc/05/63/33/846056333.db2.gz XGXWZXHTYRMITA-DEOSSOPVSA-N 0 1 420.509 4.361 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000015541576 846060308 /nfs/dbraw/zinc/06/03/08/846060308.db2.gz BNZLINXTBKECIV-KRWDZBQOSA-N 0 1 424.522 4.329 20 0 HIADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1 ZINC000016147613 846130529 /nfs/dbraw/zinc/13/05/29/846130529.db2.gz OPASIKRNSQFFFZ-UHFFFAOYSA-N 0 1 420.712 4.311 20 0 HIADMN COc1ccc(NC(=O)c2cc(C)oc2C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000016179183 846134360 /nfs/dbraw/zinc/13/43/60/846134360.db2.gz PYYVTUOVPUUPLK-UHFFFAOYSA-N 0 1 418.446 4.097 20 0 HIADMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)OCc1ncc(-c2ccccc2)o1 ZINC000016415615 846168876 /nfs/dbraw/zinc/16/88/76/846168876.db2.gz YPMWKTRRXRZADS-UHFFFAOYSA-N 0 1 422.462 4.223 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000016644125 846194135 /nfs/dbraw/zinc/19/41/35/846194135.db2.gz LSKAWFUZCMVGNQ-UHFFFAOYSA-N 0 1 424.526 4.217 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)C2)c1 ZINC000016642316 846194440 /nfs/dbraw/zinc/19/44/40/846194440.db2.gz ANXUPVYZQNELTA-AWEZNQCLSA-N 0 1 422.934 4.022 20 0 HIADMN COc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000436340278 861652093 /nfs/dbraw/zinc/65/20/93/861652093.db2.gz ZEXQYJAIZHHVFN-SJORKVTESA-N 0 1 416.543 4.065 20 0 HIADMN CN(C)C(=O)[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 ZINC000017673548 846263428 /nfs/dbraw/zinc/26/34/28/846263428.db2.gz MQRFNHXBLHKNDF-HNNXBMFYSA-N 0 1 417.332 4.156 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1cccc(F)c1 ZINC000017794775 846269884 /nfs/dbraw/zinc/26/98/84/846269884.db2.gz VDWYISRMMGMIBH-IBGZPJMESA-N 0 1 401.482 4.205 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cc(F)ccc2Br)N2CCCC2)cc1 ZINC000017911870 846276871 /nfs/dbraw/zinc/27/68/71/846276871.db2.gz NDIJYKHOXLGFPH-LJQANCHMSA-N 0 1 421.310 4.164 20 0 HIADMN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1[nH]nc2ccccc21 ZINC000018004743 846283669 /nfs/dbraw/zinc/28/36/69/846283669.db2.gz RSLIBTLWSNEPDI-UHFFFAOYSA-N 0 1 405.285 4.361 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)N(C)C)c1 ZINC000018017036 846284158 /nfs/dbraw/zinc/28/41/58/846284158.db2.gz MZDGNHADFXDMTH-HXUWFJFHSA-N 0 1 413.518 4.075 20 0 HIADMN Nc1nc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)nc2ccccc12 ZINC000018334735 846321127 /nfs/dbraw/zinc/32/11/27/846321127.db2.gz UZTVLMQETGBEDN-UHFFFAOYSA-N 0 1 413.304 4.052 20 0 HIADMN CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1C ZINC000021444658 846445228 /nfs/dbraw/zinc/44/52/28/846445228.db2.gz KYYZVBUWHHKAEN-UHFFFAOYSA-N 0 1 418.906 4.222 20 0 HIADMN CCOC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000022068148 846527490 /nfs/dbraw/zinc/52/74/90/846527490.db2.gz JYABVWDFLGIFRJ-UHFFFAOYSA-N 0 1 422.919 4.094 20 0 HIADMN CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3O)n2)cc1 ZINC000022067192 846527512 /nfs/dbraw/zinc/52/75/12/846527512.db2.gz DOARVAUUCXMBOB-UHFFFAOYSA-N 0 1 401.875 4.058 20 0 HIADMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccccc1Br ZINC000022203473 846545112 /nfs/dbraw/zinc/54/51/12/846545112.db2.gz JARHLZJMHYUOCL-SNVBAGLBSA-N 0 1 421.295 4.493 20 0 HIADMN CCC[C@H](CNC(=O)CSc1n[nH]c(CC)n1)c1ccc(Cl)cc1Cl ZINC000022543398 846583856 /nfs/dbraw/zinc/58/38/56/846583856.db2.gz QVQNCERGMSLVTI-LLVKDONJSA-N 0 1 401.363 4.466 20 0 HIADMN CCC[C@H](CNC(=O)CSc1nc(CC)n[nH]1)c1ccc(Cl)cc1Cl ZINC000022543398 846583858 /nfs/dbraw/zinc/58/38/58/846583858.db2.gz QVQNCERGMSLVTI-LLVKDONJSA-N 0 1 401.363 4.466 20 0 HIADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC[C@H]1c1ccccc1 ZINC000022549334 846585383 /nfs/dbraw/zinc/58/53/83/846585383.db2.gz IJUJSBAHUSULQN-DEOSSOPVSA-N 0 1 402.542 4.002 20 0 HIADMN CN(C(=O)CN1CCC[C@@H]1c1ccccc1)c1ccccc1C(=O)NCc1ccco1 ZINC000022549181 846585683 /nfs/dbraw/zinc/58/56/83/846585683.db2.gz DIWZSCVVEUBEQF-JOCHJYFZSA-N 0 1 417.509 4.010 20 0 HIADMN CN1CCN(c2ccc(NC(=O)c3ccc(COc4ccccc4)cc3)cc2)CC1 ZINC000023133675 846662722 /nfs/dbraw/zinc/66/27/22/846662722.db2.gz VWCBBKPZIYSYAB-UHFFFAOYSA-N 0 1 401.510 4.270 20 0 HIADMN Cc1cc(OCCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC000023134114 846662765 /nfs/dbraw/zinc/66/27/65/846662765.db2.gz BNVFCJCGFGIBQY-UHFFFAOYSA-N 0 1 401.938 4.198 20 0 HIADMN C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)C1(C)C ZINC000436367333 861705020 /nfs/dbraw/zinc/70/50/20/861705020.db2.gz RGZFMOKGLLYOSK-YLJYHZDGSA-N 0 1 413.562 4.081 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccccc3OC(F)F)n2)o1 ZINC000023223113 846673135 /nfs/dbraw/zinc/67/31/35/846673135.db2.gz WRBPMXXQPCAWGO-CMDGGOBGSA-N 0 1 406.414 4.209 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)NCCSc3ccc(C)cc3)n2)o1 ZINC000023231645 846674490 /nfs/dbraw/zinc/67/44/90/846674490.db2.gz USSMHNDSFMVAGT-JXMROGBWSA-N 0 1 414.556 4.186 20 0 HIADMN O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000023399759 846694527 /nfs/dbraw/zinc/69/45/27/846694527.db2.gz OWLXJWRVCLJOLW-UHFFFAOYSA-N 0 1 402.863 4.180 20 0 HIADMN COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)N2CCCC2)cc1 ZINC000023486585 846706406 /nfs/dbraw/zinc/70/64/06/846706406.db2.gz WYJWRCCSIDSZDK-IIBYNOLFSA-N 0 1 402.922 4.069 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)N2CCCC2)cc1 ZINC000023487642 846707518 /nfs/dbraw/zinc/70/75/18/846707518.db2.gz IAINFCZMDXWMHQ-OAQYLSRUSA-N 0 1 410.543 4.022 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Cc1csc(-c2ccccc2)n1)N1CCCC1 ZINC000023692105 846740936 /nfs/dbraw/zinc/74/09/36/846740936.db2.gz AJWVEUZLPRVIHT-OAQYLSRUSA-N 0 1 421.566 4.315 20 0 HIADMN Cc1nn(-c2ccccc2)c2sc(C(=O)NC[C@H](c3cccs3)N(C)C)cc12 ZINC000023710625 846742202 /nfs/dbraw/zinc/74/22/02/846742202.db2.gz LONSFBKIXKBPNT-QGZVFWFLSA-N 0 1 410.568 4.490 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000023967090 846764309 /nfs/dbraw/zinc/76/43/09/846764309.db2.gz LPGMXDBIKPGBPO-NSHDSACASA-N 0 1 415.906 4.203 20 0 HIADMN Cc1cccc(OCCNC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000023967159 846764821 /nfs/dbraw/zinc/76/48/21/846764821.db2.gz HDUCFUNLZPTVOY-CQSZACIVSA-N 0 1 416.934 4.109 20 0 HIADMN CN1CCN(CCOc2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000436378474 861720374 /nfs/dbraw/zinc/72/03/74/861720374.db2.gz SHGOLQRUEDQCRG-UHFFFAOYSA-N 0 1 423.344 4.264 20 0 HIADMN CC[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(Cl)cc1 ZINC000024254280 846806532 /nfs/dbraw/zinc/80/65/32/846806532.db2.gz DHWWOHOOBSNMLS-MRXNPFEDSA-N 0 1 415.342 4.076 20 0 HIADMN COc1ccc(CCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1OC ZINC000024316795 846812723 /nfs/dbraw/zinc/81/27/23/846812723.db2.gz OGAGIVLLZNTTCO-UHFFFAOYSA-N 0 1 418.537 4.134 20 0 HIADMN COc1ccc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cc1NC(C)=O ZINC000024437709 846824415 /nfs/dbraw/zinc/82/44/15/846824415.db2.gz DMZFTPATTQKWRR-UHFFFAOYSA-N 0 1 417.314 4.378 20 0 HIADMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024857432 846878379 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CCN(CC)C(=O)c1cccc(NC(=O)CN2CCC[C@@H](Cc3ccc(C)cc3)C2)c1 ZINC000065261126 852094116 /nfs/dbraw/zinc/09/41/16/852094116.db2.gz RUCHUAKTSFFFHI-QFIPXVFZSA-N 0 1 421.585 4.370 20 0 HIADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1)c1ccco1 ZINC000065416789 852125814 /nfs/dbraw/zinc/12/58/14/852125814.db2.gz PZIACXCREJKXDU-UYAOXDASSA-N 0 1 415.534 4.350 20 0 HIADMN CCOc1ccccc1CNC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000065480206 852152384 /nfs/dbraw/zinc/15/23/84/852152384.db2.gz HDMSLMGALPOKGS-OAQYLSRUSA-N 0 1 411.546 4.120 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(Br)cc1)c1ccco1 ZINC000065482722 852154452 /nfs/dbraw/zinc/15/44/52/852154452.db2.gz PSJOVODTNBVHJE-RHSMWYFYSA-N 0 1 408.340 4.485 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N(C)Cc1ccc(Br)cc1)c1ccco1 ZINC000065482771 852155118 /nfs/dbraw/zinc/15/51/18/852155118.db2.gz NOHKUFMPEULKSK-QGZVFWFLSA-N 0 1 408.340 4.267 20 0 HIADMN CC(=O)N[C@H](CC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc(C)cc1 ZINC000065514770 852163331 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CCOc1ccccc1Oc1ccc(CNCc2cnc3c(c2)c(C)nn3C)cn1 ZINC000236980973 853946519 /nfs/dbraw/zinc/94/65/19/853946519.db2.gz AJQONTVARWJYRB-UHFFFAOYSA-N 0 1 403.486 4.153 20 0 HIADMN CCS(=O)(=O)C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000237007566 853950427 /nfs/dbraw/zinc/95/04/27/853950427.db2.gz FGNNKOPSKBFSFV-LJQANCHMSA-N 0 1 411.571 4.069 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cnc(C(C)(C)C)s2)cc1 ZINC000237009995 853951304 /nfs/dbraw/zinc/95/13/04/853951304.db2.gz NFDGEMWIVLCDPF-OAHLLOKOSA-N 0 1 409.621 4.322 20 0 HIADMN CCS(=O)(=O)C[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000237012023 853951652 /nfs/dbraw/zinc/95/16/52/853951652.db2.gz AJNCSUZZYOPFMR-INIZCTEOSA-N 0 1 417.962 4.106 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CNCc2ccccc2OC2CCCC2)cc1 ZINC000237025178 853953377 /nfs/dbraw/zinc/95/33/77/853953377.db2.gz QHUXDLGMSPDDMT-UHFFFAOYSA-N 0 1 416.587 4.328 20 0 HIADMN CCOc1cc(CNC2(c3ccc(Cl)cc3)CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000237074189 853959693 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Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@H](O)c1c(F)cccc1F ZINC000237613717 854062421 /nfs/dbraw/zinc/06/24/21/854062421.db2.gz ZRIMUNPOVLZWQZ-SFHVURJKSA-N 0 1 409.839 4.134 20 0 HIADMN Cc1nn(Cc2ccccc2)c(Cl)c1CNC[C@](C)(O)c1ccc(F)cc1F ZINC000237659566 854070091 /nfs/dbraw/zinc/07/00/91/854070091.db2.gz LJVHZIWPLDMKSI-NRFANRHFSA-N 0 1 405.876 4.169 20 0 HIADMN C[C@H]1CSc2ccc(Br)cc2[C@H]1NCc1ccc(C(=O)N(C)C)[nH]1 ZINC000237711769 854080566 /nfs/dbraw/zinc/08/05/66/854080566.db2.gz UBJJRLZAQBPLCA-GTNSWQLSSA-N 0 1 408.365 4.052 20 0 HIADMN Clc1ccc(OCc2cccnc2)c(CNCc2ccnc(-n3ccnc3)c2)c1 ZINC000237720390 854083031 /nfs/dbraw/zinc/08/30/31/854083031.db2.gz FJGRYLVSIODVQJ-UHFFFAOYSA-N 0 1 405.889 4.185 20 0 HIADMN O=C1CCCN1C[C@@H](NCc1ccc2c[nH]nc2c1)c1cccc(C(F)(F)F)c1 ZINC000237748688 854088524 /nfs/dbraw/zinc/08/85/24/854088524.db2.gz SHZDSJBKKYUKNF-LJQANCHMSA-N 0 1 402.420 4.035 20 0 HIADMN O=C(NCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1Cl ZINC000237759185 854090945 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HIADMN CCN(CCNC(=O)N1CCC(c2c(F)cccc2F)CC1)CCC(F)(F)F ZINC000425961385 856019362 /nfs/dbraw/zinc/01/93/62/856019362.db2.gz BUEMPZNEWJAINC-UHFFFAOYSA-N 0 1 407.427 4.128 20 0 HIADMN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2ccccc2C(=O)OC)c1C ZINC000425962919 856019951 /nfs/dbraw/zinc/01/99/51/856019951.db2.gz ADBBALZBDSCASD-UHFFFAOYSA-N 0 1 405.516 4.288 20 0 HIADMN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(C)(C)CC)cc1 ZINC000425969362 856023313 /nfs/dbraw/zinc/02/33/13/856023313.db2.gz WNMHGLBHCLQSLP-UHFFFAOYSA-N 0 1 418.559 4.276 20 0 HIADMN O=C(N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@H]1CCCc2[nH]cnc21 ZINC000425976775 856027721 /nfs/dbraw/zinc/02/77/21/856027721.db2.gz HPCZLPOVHMXVDH-SUMWQHHRSA-N 0 1 413.319 4.267 20 0 HIADMN COc1cc(CN2CCC(Oc3cnccn3)CC2)ccc1OCc1ccccc1 ZINC000425978883 856028345 /nfs/dbraw/zinc/02/83/45/856028345.db2.gz GXMLUDARPQBQEF-UHFFFAOYSA-N 0 1 405.498 4.108 20 0 HIADMN CCN(CCNC(=O)N1CCSC[C@@H]1c1ccc(C)cc1)CCC(F)(F)F ZINC000426004460 856041243 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4.398 20 0 HIADMN CCOc1c(Cl)cc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)cc1OC ZINC000426168448 856150537 /nfs/dbraw/zinc/15/05/37/856150537.db2.gz RLEQTYIVWCPRRA-UHFFFAOYSA-N 0 1 401.894 4.181 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)[nH]c21 ZINC000426178690 856157446 /nfs/dbraw/zinc/15/74/46/856157446.db2.gz PJOCQUBDVHADSJ-UHFFFAOYSA-N 0 1 404.514 4.459 20 0 HIADMN COc1ccccc1[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000426254201 856205021 /nfs/dbraw/zinc/20/50/21/856205021.db2.gz GJJDKGTVTBTHIE-SIKLNZKXSA-N 0 1 411.477 4.119 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(Cc4nnc5ccccn54)cc3)[nH]c21 ZINC000426274422 856214562 /nfs/dbraw/zinc/21/45/62/856214562.db2.gz LSDFUMZCHSFYAE-UHFFFAOYSA-N 0 1 410.481 4.076 20 0 HIADMN Cc1cc(CN[C@@H](c2ccc(Br)cc2)C2CC2)nc(N2CCCC2)n1 ZINC000426310722 856238121 /nfs/dbraw/zinc/23/81/21/856238121.db2.gz CEVZVRSDEOZWAF-LJQANCHMSA-N 0 1 401.352 4.389 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccco1 ZINC000426316110 856241108 /nfs/dbraw/zinc/24/11/08/856241108.db2.gz BECVTXPHOBGMTG-QZNHQXDQSA-N 0 1 421.545 4.087 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N[C@@H](c1ccco1)c1ccccc1OC)c1ccco1 ZINC000426316066 856241352 /nfs/dbraw/zinc/24/13/52/856241352.db2.gz APASRGPLLQNNBV-PGRDOPGGSA-N 0 1 411.502 4.353 20 0 HIADMN COC(=O)c1nc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)sc1C(C)C ZINC000426378825 856265505 /nfs/dbraw/zinc/26/55/05/856265505.db2.gz NCIGYVOEFAGMHX-UHFFFAOYSA-N 0 1 404.879 4.349 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)NC2(c3ccc(Br)cc3)CCCC2)n[nH]1 ZINC000426385923 856269027 /nfs/dbraw/zinc/26/90/27/856269027.db2.gz SOQNOUZPNBNTJS-CYBMUJFWSA-N 0 1 405.340 4.180 20 0 HIADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1COC1CCOCC1 ZINC000426405390 856277172 /nfs/dbraw/zinc/27/71/72/856277172.db2.gz MAJWMYGHFYKALJ-JOCHJYFZSA-N 0 1 421.497 4.362 20 0 HIADMN CCCN(Cc1ccccc1Br)C(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000426426236 856285087 /nfs/dbraw/zinc/28/50/87/856285087.db2.gz WCZGAPTYEHINGP-UHFFFAOYSA-N 0 1 416.323 4.108 20 0 HIADMN C[C@@](NCCOc1ccc2ccccc2c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426427308 856285503 /nfs/dbraw/zinc/28/55/03/856285503.db2.gz MSVUNELXXMETRP-NRFANRHFSA-N 0 1 402.416 4.228 20 0 HIADMN CC[C@@]1(CO)CCCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000426474575 856310089 /nfs/dbraw/zinc/31/00/89/856310089.db2.gz UQMVSSUMRXIMBN-DHIUTWEWSA-N 0 1 400.950 4.030 20 0 HIADMN Cc1cn2c(nc(C)c2-c2noc(-c3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)n2)s1 ZINC000426555267 856345956 /nfs/dbraw/zinc/34/59/56/856345956.db2.gz ZHYZYWPGXDHORM-ZIAGYGMSSA-N 0 1 423.542 4.339 20 0 HIADMN Cc1c2cc(Br)cc(C)c2oc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000426644209 856389875 /nfs/dbraw/zinc/38/98/75/856389875.db2.gz VEVRSMZDEXQYRM-UHFFFAOYSA-N 0 1 412.247 4.245 20 0 HIADMN O=C(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000426647645 856392479 /nfs/dbraw/zinc/39/24/79/856392479.db2.gz OJLCOIMUUHANSR-UHFFFAOYSA-N 0 1 418.831 4.097 20 0 HIADMN Cc1nc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)sc1C(=O)[O-] ZINC000426702329 856420558 /nfs/dbraw/zinc/42/05/58/856420558.db2.gz ANMZCWRDODFJSF-UHFFFAOYSA-N 0 1 418.522 4.351 20 0 HIADMN COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000426719454 856432118 /nfs/dbraw/zinc/43/21/18/856432118.db2.gz GSHUUZCVFKBXFF-GOSISDBHSA-N 0 1 420.296 4.493 20 0 HIADMN COc1ccc(OCc2nc(C[NH2+][C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000426723691 856435250 /nfs/dbraw/zinc/43/52/50/856435250.db2.gz ZWCWWNSXFBSUFW-QVKFZJNVSA-N 0 1 412.511 4.282 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@@H](C)c3nc(-c4ccc(OC)cc4)no3)n2)cc1 ZINC000426730054 856439673 /nfs/dbraw/zinc/43/96/73/856439673.db2.gz JBFRWVYXPVRUDT-LBPRGKRZSA-N 0 1 409.471 4.392 20 0 HIADMN COc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2csc(-c3ccc(F)cc3)n2)cc1OC ZINC000426787084 856477633 /nfs/dbraw/zinc/47/76/33/856477633.db2.gz ARYXTWHIGFQNJI-KRWDZBQOSA-N 0 1 416.474 4.272 20 0 HIADMN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426811102 856491250 /nfs/dbraw/zinc/49/12/50/856491250.db2.gz KUOHGFQWMDRRQE-LOSJGSFVSA-N 0 1 422.569 4.094 20 0 HIADMN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C(=O)[O-])cc1F ZINC000426831271 856504041 /nfs/dbraw/zinc/50/40/41/856504041.db2.gz DOGHPZUJWFSBLC-OAHLLOKOSA-N 0 1 402.647 4.166 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000426842380 856509064 /nfs/dbraw/zinc/50/90/64/856509064.db2.gz YTSAAQZSEWVQJG-CQSZACIVSA-N 0 1 423.380 4.458 20 0 HIADMN CN(CCC(=O)N1CCc2ccccc21)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426854922 856513472 /nfs/dbraw/zinc/51/34/72/856513472.db2.gz CETVVQQTWKVNTG-HSZRJFAPSA-N 0 1 406.917 4.131 20 0 HIADMN CN(C(=O)[C@H]1CCCN1C1CC1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000426874693 856522286 /nfs/dbraw/zinc/52/22/86/856522286.db2.gz KKXBZDIWQJXAEB-GOSISDBHSA-N 0 1 405.420 4.482 20 0 HIADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000426888834 856528081 /nfs/dbraw/zinc/52/80/81/856528081.db2.gz BTQVZPAZERRNOF-WMLDXEAASA-N 0 1 418.335 4.470 20 0 HIADMN Cc1[nH]nc2cc(NC(=O)CCC(=O)Nc3nnc(C4CCCCC4)s3)ccc12 ZINC000426909136 856537729 /nfs/dbraw/zinc/53/77/29/856537729.db2.gz KYMQTJNSJRRSRF-UHFFFAOYSA-N 0 1 412.519 4.128 20 0 HIADMN CN(C)Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cn1 ZINC000426930631 856547746 /nfs/dbraw/zinc/54/77/46/856547746.db2.gz CMHRCWBEDRYRCZ-UHFFFAOYSA-N 0 1 421.341 4.355 20 0 HIADMN COc1cccc(/C=C(/CC(=O)NCCN2CCC2)c2nc3ccccc3s2)c1 ZINC000426980128 856577657 /nfs/dbraw/zinc/57/76/57/856577657.db2.gz IIRDCSYIQOFABP-JXAWBTAJSA-N 0 1 407.539 4.058 20 0 HIADMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)C1 ZINC000427002827 856589523 /nfs/dbraw/zinc/58/95/23/856589523.db2.gz YQWVSLOCRJRZEZ-MAUKXSAKSA-N 0 1 408.571 4.207 20 0 HIADMN CCn1ncc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1-c1ccccc1 ZINC000427109253 856643786 /nfs/dbraw/zinc/64/37/86/856643786.db2.gz QLMLBDLJXNFNAK-QHCPKHFHSA-N 0 1 418.541 4.146 20 0 HIADMN COCCOc1cc(C)ccc1CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427148551 856670876 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Cc1cc2cc(NS(=O)(=O)c3cc(C(C)C)ccc3Cl)ccc2n(C)c1=O ZINC000427345848 856783187 /nfs/dbraw/zinc/78/31/87/856783187.db2.gz QWUOATCXVNDKNN-UHFFFAOYSA-N 0 1 404.919 4.425 20 0 HIADMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000427457599 856829121 /nfs/dbraw/zinc/82/91/21/856829121.db2.gz UVLOCTBQQSYOFN-OAQYLSRUSA-N 0 1 403.873 4.382 20 0 HIADMN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)c1ncc(Br)cc1F ZINC000427528825 856851747 /nfs/dbraw/zinc/85/17/47/856851747.db2.gz AWUJWYNXKQNDRV-MENVHETRSA-N 0 1 414.269 4.357 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000427553396 856862844 /nfs/dbraw/zinc/86/28/44/856862844.db2.gz BMYLBKGSVRRSFN-CHWSQXEVSA-N 0 1 405.424 4.234 20 0 HIADMN O=C1CCCN1C[C@@H](N[C@H]1CCCc2ncc(C(F)(F)F)cc21)c1ccccc1 ZINC000427582563 856876968 /nfs/dbraw/zinc/87/69/68/856876968.db2.gz HEMGVFDQLVHNIH-VQTJNVASSA-N 0 1 403.448 4.431 20 0 HIADMN O=C(Nc1cccc(CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1)[C@H]1CCCO1 ZINC000427617708 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404.367 4.272 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000438444957 863870317 /nfs/dbraw/zinc/87/03/17/863870317.db2.gz AYQVLYFDCCBFCO-IACUBPJLSA-N 0 1 420.357 4.398 20 0 HIADMN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000438448009 863873006 /nfs/dbraw/zinc/87/30/06/863873006.db2.gz PTXQVQHYSLWBPY-ZJOUEHCJSA-N 0 1 419.504 4.446 20 0 HIADMN O=C(CCc1cc2ccccc2o1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438455287 863878837 /nfs/dbraw/zinc/87/88/37/863878837.db2.gz NGQOIHWYOIYQPD-IBGZPJMESA-N 0 1 414.387 4.408 20 0 HIADMN Cn1cc(CN[C@@H]2CCOc3c(F)cccc32)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000438469858 863889366 /nfs/dbraw/zinc/88/93/66/863889366.db2.gz NYQQFTMYQBWNFN-LJQANCHMSA-N 0 1 409.461 4.001 20 0 HIADMN Cn1cc(C[N@@H+](C)[C@H]2CCOc3ccc(Br)cc32)c(-c2cccnc2)n1 ZINC000438482285 863898588 /nfs/dbraw/zinc/89/85/88/863898588.db2.gz XVJSGIAHMAEYFF-SFHVURJKSA-N 0 1 413.319 4.200 20 0 HIADMN CN(Cc1cn(C)nc1-c1cccnc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438482285 863898596 /nfs/dbraw/zinc/89/85/96/863898596.db2.gz XVJSGIAHMAEYFF-SFHVURJKSA-N 0 1 413.319 4.200 20 0 HIADMN COCCOc1ccc(C[N@@H+](C)[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000438484233 863899466 /nfs/dbraw/zinc/89/94/66/863899466.db2.gz HSNMQYFHSMVKBQ-LJQANCHMSA-N 0 1 406.320 4.430 20 0 HIADMN COCCOc1ccc(CN(C)[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000438484233 863899467 /nfs/dbraw/zinc/89/94/67/863899467.db2.gz HSNMQYFHSMVKBQ-LJQANCHMSA-N 0 1 406.320 4.430 20 0 HIADMN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(CN2CCSCC2)cc1 ZINC000438525910 863950264 /nfs/dbraw/zinc/95/02/64/863950264.db2.gz GEGCLZBXYBCZKH-AEFFLSMTSA-N 0 1 400.510 4.334 20 0 HIADMN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(CN2CCSCC2)cc1 ZINC000438525914 863950772 /nfs/dbraw/zinc/95/07/72/863950772.db2.gz GEGCLZBXYBCZKH-SJLPKXTDSA-N 0 1 400.510 4.334 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccsc2Cl)cc1 ZINC000438571276 864003294 /nfs/dbraw/zinc/00/32/94/864003294.db2.gz ZEQHZFBWRZEQPP-UHFFFAOYSA-N 0 1 422.915 4.463 20 0 HIADMN CC(C)N1CCN(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)CC1 ZINC000438572049 864005192 /nfs/dbraw/zinc/00/51/92/864005192.db2.gz OLOOKFTYAADMQQ-UHFFFAOYSA-N 0 1 423.380 4.054 20 0 HIADMN CCN(CC)[C@H](C(=O)N[C@H](C)c1ccncc1OC)c1cccc(C(F)(F)F)c1 ZINC000438626001 864055021 /nfs/dbraw/zinc/05/50/21/864055021.db2.gz YZVQNVQSKZJQPH-KUHUBIRLSA-N 0 1 409.452 4.369 20 0 HIADMN Cc1cc(NC(=O)C2CCN(Cc3ccc(Oc4ccccc4)c(F)c3)CC2)no1 ZINC000438647540 864088058 /nfs/dbraw/zinc/08/80/58/864088058.db2.gz HEYUMRQKVKCOOA-UHFFFAOYSA-N 0 1 409.461 4.765 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)C(C)(C)c1ccccc1 ZINC000438660085 864108449 /nfs/dbraw/zinc/10/84/49/864108449.db2.gz JCVCOYJCTYQMFW-IBGZPJMESA-N 0 1 424.589 4.325 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000438660019 864108869 /nfs/dbraw/zinc/10/88/69/864108869.db2.gz GKJCCPIRHYJAFR-GOSISDBHSA-N 0 1 410.562 4.282 20 0 HIADMN CCCCC1CCC(C(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CC1 ZINC000438688594 864154190 /nfs/dbraw/zinc/15/41/90/864154190.db2.gz RWXBKTRLFCKGOE-UHFFFAOYSA-N 0 1 416.547 4.213 20 0 HIADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000438762217 864257773 /nfs/dbraw/zinc/25/77/73/864257773.db2.gz BGKLWZQUTPCSOR-UHFFFAOYSA-N 0 1 416.775 4.365 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)cc1Br ZINC000438775808 864269463 /nfs/dbraw/zinc/26/94/63/864269463.db2.gz UIRQHQJALWGSPI-UHFFFAOYSA-N 0 1 410.211 4.299 20 0 HIADMN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(F)c2C)c1 ZINC000438794598 864286821 /nfs/dbraw/zinc/28/68/21/864286821.db2.gz NDLOSHYNBUADNV-UHFFFAOYSA-N 0 1 414.458 4.196 20 0 HIADMN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1)O[C@H](C)C2 ZINC000438804185 864293834 /nfs/dbraw/zinc/29/38/34/864293834.db2.gz HEZQMZWIQWJZLY-CQSZACIVSA-N 0 1 403.500 4.048 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCc2cccc3ccccc32)CC1 ZINC000438849616 864343685 /nfs/dbraw/zinc/34/36/85/864343685.db2.gz JCZWWCWSYYIEJJ-IBGZPJMESA-N 0 1 402.542 4.302 20 0 HIADMN Cc1ccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(OCC2CC2)c1 ZINC000438852324 864347172 /nfs/dbraw/zinc/34/71/72/864347172.db2.gz AUYPKWSOUNDNPQ-IBGZPJMESA-N 0 1 422.573 4.204 20 0 HIADMN C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1nc(C(C)(C)C)cs1 ZINC000438860688 864354678 /nfs/dbraw/zinc/35/46/78/864354678.db2.gz RTPXMUCWIVWLKV-CVEARBPZSA-N 0 1 415.607 4.421 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2csc(-c3ccccc3)n2)CC1 ZINC000438866588 864359480 /nfs/dbraw/zinc/35/94/80/864359480.db2.gz VEIRIKCHCBVGLP-KRWDZBQOSA-N 0 1 421.570 4.230 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)N1CCCC1 ZINC000438868348 864360346 /nfs/dbraw/zinc/36/03/46/864360346.db2.gz OXMOHNJUIHDTSC-JCYRPKCISA-N 0 1 404.554 4.243 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@@]34CCCc3ccccc34)CC2)cc1 ZINC000438903755 864384716 /nfs/dbraw/zinc/38/47/16/864384716.db2.gz KNJZZHZZUZLBQZ-AZGAKELHSA-N 0 1 404.554 4.024 20 0 HIADMN O=C(Cc1n[nH]c2ccccc21)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000438937227 864413715 /nfs/dbraw/zinc/41/37/15/864413715.db2.gz ORGUUJYBLOVGTM-UHFFFAOYSA-N 0 1 424.913 4.389 20 0 HIADMN Cc1[nH]c(SCC(=O)N2CCS[C@@H]3CCCC[C@@H]32)nc1Cc1ccccc1 ZINC000438953098 864425568 /nfs/dbraw/zinc/42/55/68/864425568.db2.gz YOUOHVIMQZHJRA-RBUKOAKNSA-N 0 1 401.601 4.288 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000438967435 864434036 /nfs/dbraw/zinc/43/40/36/864434036.db2.gz ZCTYYKJGHCIFER-MRXNPFEDSA-N 0 1 418.994 4.352 20 0 HIADMN O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000439012298 864463359 /nfs/dbraw/zinc/46/33/59/864463359.db2.gz XJNICRJVWGKWMO-KZNAEPCWSA-N 0 1 420.351 4.405 20 0 HIADMN Cc1ccc(-n2cc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)c(-c3ccccc3)n2)cc1 ZINC000439023608 864477148 /nfs/dbraw/zinc/47/71/48/864477148.db2.gz WCLOENXZXZGBSK-UHFFFAOYSA-N 0 1 421.464 4.280 20 0 HIADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc(OC2CCOCC2)cc1 ZINC000439063767 864513916 /nfs/dbraw/zinc/51/39/16/864513916.db2.gz INKCAFQPARLJJH-UHFFFAOYSA-N 0 1 414.465 4.435 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000439085770 864533170 /nfs/dbraw/zinc/53/31/70/864533170.db2.gz KSQILAQHHOWIJW-HUUCEWRRSA-N 0 1 410.518 4.349 20 0 HIADMN O=S(=O)(CCN[C@H](c1ccc(Br)s1)C1CC1)c1ccccc1 ZINC000439131283 864566032 /nfs/dbraw/zinc/56/60/32/864566032.db2.gz HVEGHGJITFIALY-INIZCTEOSA-N 0 1 400.363 4.025 20 0 HIADMN COCCn1cc2c(n1)[C@@H](N[C@@H](c1ccc(Br)s1)C1CC1)CCC2 ZINC000439136161 864567734 /nfs/dbraw/zinc/56/77/34/864567734.db2.gz RQAHFHCFPIDZDK-KBXCAEBGSA-N 0 1 410.381 4.472 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCC([C@H]2CCCO2)CC1 ZINC000439136572 864569821 /nfs/dbraw/zinc/56/98/21/864569821.db2.gz XLKXCJGFZIUZBC-JOCHJYFZSA-N 0 1 419.997 4.153 20 0 HIADMN Cc1ccc(Br)cc1CN[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000439139457 864572608 /nfs/dbraw/zinc/57/26/08/864572608.db2.gz IHZUOWQKQJSFPU-GFCCVEGCSA-N 0 1 400.313 4.151 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000439156944 864587562 /nfs/dbraw/zinc/58/75/62/864587562.db2.gz SKZCKUGFZMJISR-OZXSUGGESA-N 0 1 417.553 4.344 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000439156943 864587736 /nfs/dbraw/zinc/58/77/36/864587736.db2.gz SKZCKUGFZMJISR-JYFHCDHNSA-N 0 1 417.553 4.344 20 0 HIADMN O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000439160822 864592023 /nfs/dbraw/zinc/59/20/23/864592023.db2.gz AMSGYHINQOVNTR-BKMJKUGQSA-N 0 1 412.537 4.472 20 0 HIADMN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439193681 864618879 /nfs/dbraw/zinc/61/88/79/864618879.db2.gz SYKJXCCGQGVMNJ-HOTGVXAUSA-N 0 1 402.489 4.288 20 0 HIADMN COc1cccc([C@H]2CCCN2C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000439194638 864620798 /nfs/dbraw/zinc/62/07/98/864620798.db2.gz XHXOMOBTGJUXII-WZONZLPQSA-N 0 1 408.546 4.162 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000439201564 864626145 /nfs/dbraw/zinc/62/61/45/864626145.db2.gz RLFNKWLVSGZKJJ-NBGIEHNGSA-N 0 1 406.574 4.370 20 0 HIADMN C[C@@H](c1c(F)cccc1F)N(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439202593 864626257 /nfs/dbraw/zinc/62/62/57/864626257.db2.gz USBQKHNWVYTQGH-HOTGVXAUSA-N 0 1 402.489 4.288 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000439213930 864634303 /nfs/dbraw/zinc/63/43/03/864634303.db2.gz SHRIXBWVYCOZJX-PMACEKPBSA-N 0 1 424.614 4.431 20 0 HIADMN CN(C)[C@H](CNC(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1)c1cccs1 ZINC000439258574 864674766 /nfs/dbraw/zinc/67/47/66/864674766.db2.gz NKHLVBRCSIFVHM-MRXNPFEDSA-N 0 1 412.477 4.389 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N(CCC(F)(F)F)CC2CC2)N2CCCC2)c1 ZINC000439260120 864676775 /nfs/dbraw/zinc/67/67/75/864676775.db2.gz RRQAIZSIZKOILN-LJQANCHMSA-N 0 1 413.484 4.206 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2Br)CC1 ZINC000439315873 864750106 /nfs/dbraw/zinc/75/01/06/864750106.db2.gz POYPSSNALIARLR-CQSZACIVSA-N 0 1 403.324 4.191 20 0 HIADMN Clc1cccc(Cl)c1-c1nnc(CN[C@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000439437502 864831410 /nfs/dbraw/zinc/83/14/10/864831410.db2.gz JONCSBIECRKPHJ-INIZCTEOSA-N 0 1 401.257 4.041 20 0 HIADMN CCOc1ccc(C(C)=O)cc1CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439439474 864831977 /nfs/dbraw/zinc/83/19/77/864831977.db2.gz OIECIVIBRYOEOA-IBGZPJMESA-N 0 1 418.419 4.304 20 0 HIADMN CC(C)(C)Oc1cccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000439439295 864832159 /nfs/dbraw/zinc/83/21/59/864832159.db2.gz MKRFFTNDPALLTQ-KRWDZBQOSA-N 0 1 405.424 4.275 20 0 HIADMN CCOc1ccc(C(C)=O)cc1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439439476 864832426 /nfs/dbraw/zinc/83/24/26/864832426.db2.gz OIECIVIBRYOEOA-LJQANCHMSA-N 0 1 418.419 4.304 20 0 HIADMN C[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1nc(-c2cccs2)no1 ZINC000439447944 864834909 /nfs/dbraw/zinc/83/49/09/864834909.db2.gz GESZSBMRXBLXFC-QMTHXVAHSA-N 0 1 420.420 4.375 20 0 HIADMN C[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000439451251 864836271 /nfs/dbraw/zinc/83/62/71/864836271.db2.gz LRAUUSFYJLDNQB-MBSDFSHPSA-N 0 1 411.509 4.102 20 0 HIADMN CC[C@@](C)(NC[C@@H](O)COc1cc(F)cc(Br)c1)c1nc(C)cs1 ZINC000439454295 864837485 /nfs/dbraw/zinc/83/74/85/864837485.db2.gz RESFSAHKUCGBDC-RHSMWYFYSA-N 0 1 417.344 4.008 20 0 HIADMN C[C@H](N[C@@H](c1nnc[nH]1)c1ccccc1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000439456749 864838333 /nfs/dbraw/zinc/83/83/33/864838333.db2.gz ZLCNILOUEULWPH-ZJNRKIDTSA-N 0 1 418.328 4.056 20 0 HIADMN COC(=O)[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000439460313 864840014 /nfs/dbraw/zinc/84/00/14/864840014.db2.gz XUEGUIRMQVLWQR-CVEARBPZSA-N 0 1 424.810 4.070 20 0 HIADMN Cc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1-c1ncco1 ZINC000439474099 864844581 /nfs/dbraw/zinc/84/45/81/864844581.db2.gz MZWDMOWDCJHDFY-QGZVFWFLSA-N 0 1 405.502 4.392 20 0 HIADMN Cc1ccc([C@H](CNC(=O)Nc2cc(F)ccc2Br)N2CCCC2)o1 ZINC000467937102 881808783 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CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000448093557 871932999 /nfs/dbraw/zinc/93/29/99/871932999.db2.gz AOHZKOWLNKFRCD-HUUCEWRRSA-N 0 1 402.926 4.001 20 0 HIADMN Cc1ccccc1Sc1ccc(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000448246238 872165092 /nfs/dbraw/zinc/16/50/92/872165092.db2.gz AHRICCYLJHUSJA-LJQANCHMSA-N 0 1 410.583 4.472 20 0 HIADMN COc1cc(CN2CCCC[C@@H]2C[C@@H](C)O)cc(Br)c1OC(F)F ZINC000448357718 872306723 /nfs/dbraw/zinc/30/67/23/872306723.db2.gz YDYZYEYPZIAVEB-DGCLKSJQSA-N 0 1 408.283 4.185 20 0 HIADMN C[C@@H]1OCC[C@]12CN(Cc1cccc(NC(=O)c3ccccc3Cl)c1)C[C@@H](C)O2 ZINC000448363826 872313220 /nfs/dbraw/zinc/31/32/20/872313220.db2.gz RXWMVUCJHRVAFB-DGGJZMOXSA-N 0 1 414.933 4.361 20 0 HIADMN COCC[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCCSC1 ZINC000448368011 872318108 /nfs/dbraw/zinc/31/81/08/872318108.db2.gz UBQYERNSOZREBZ-LJQANCHMSA-N 0 1 413.509 4.294 20 0 HIADMN CC(C)(C)c1cnc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)s1 ZINC000448368878 872321379 /nfs/dbraw/zinc/32/13/79/872321379.db2.gz XUWBCYHFTHJFJR-OPAMFIHVSA-N 0 1 409.559 4.439 20 0 HIADMN C[C@H]1OCC[C@]12CN(Cc1cccc(NC(=O)c3ccc(Cl)cc3)c1)C[C@@H](C)O2 ZINC000448372994 872322563 /nfs/dbraw/zinc/32/25/63/872322563.db2.gz PYTXOYZYSXQPDJ-QZMQVMSPSA-N 0 1 414.933 4.361 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3CC(=O)c3ccc(F)cc3)n[nH]2)cc1 ZINC000448445823 872388532 /nfs/dbraw/zinc/38/85/32/872388532.db2.gz UHCGSHJHMSTRHG-SFHVURJKSA-N 0 1 407.445 4.102 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3CC(=O)c3ccc(F)cc3)n[nH]2)cc1 ZINC000448445822 872389184 /nfs/dbraw/zinc/38/91/84/872389184.db2.gz UHCGSHJHMSTRHG-GOSISDBHSA-N 0 1 407.445 4.102 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccccc3NCc3cccnc3)cccc21 ZINC000448492074 872475625 /nfs/dbraw/zinc/47/56/25/872475625.db2.gz KKFYFBNGLKWMGA-JOCHJYFZSA-N 0 1 402.498 4.331 20 0 HIADMN CCc1ccccc1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br ZINC000448539453 872539891 /nfs/dbraw/zinc/53/98/91/872539891.db2.gz VGKYIPFPAIMGTG-UHFFFAOYSA-N 0 1 407.289 4.467 20 0 HIADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000460106386 872569311 /nfs/dbraw/zinc/56/93/11/872569311.db2.gz PRDLCCZDDUNNAG-HSZRJFAPSA-N 0 1 415.537 4.202 20 0 HIADMN CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)[C@H]1CCOC(C)(C)C1 ZINC000460113946 872581123 /nfs/dbraw/zinc/58/11/23/872581123.db2.gz TUJBPHVHPVIZPP-FPOVZHCZSA-N 0 1 417.594 4.211 20 0 HIADMN CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000460187801 872754562 /nfs/dbraw/zinc/75/45/62/872754562.db2.gz RKNCSZFJRSRNOT-IBGZPJMESA-N 0 1 414.557 4.081 20 0 HIADMN COc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc(Cl)c1[O-] ZINC000460188805 872755406 /nfs/dbraw/zinc/75/54/06/872755406.db2.gz YAWRBVSXHMTNEK-UHFFFAOYSA-N 0 1 406.935 4.164 20 0 HIADMN CC1CCN([C@H](CNC(=O)Nc2ccccc2C[S@](C)=O)c2cccs2)CC1 ZINC000460230008 872816089 /nfs/dbraw/zinc/81/60/89/872816089.db2.gz IPNIJQLZOBVYPI-GDJIYFAZSA-N 0 1 419.616 4.221 20 0 HIADMN CC1CCN([C@@H](CNC(=O)Nc2ccccc2C[S@@](C)=O)c2cccs2)CC1 ZINC000460230009 872816438 /nfs/dbraw/zinc/81/64/38/872816438.db2.gz IPNIJQLZOBVYPI-HMILPKGGSA-N 0 1 419.616 4.221 20 0 HIADMN CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000460298589 872889051 /nfs/dbraw/zinc/88/90/51/872889051.db2.gz BNPQKTFYGAATDZ-UHFFFAOYSA-N 0 1 418.520 4.298 20 0 HIADMN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(CN3CCSCC3)cc2)[C@H](C)CO1 ZINC000460383177 873025306 /nfs/dbraw/zinc/02/53/06/873025306.db2.gz BRVRDNWONXNXHP-XXBNENTESA-N 0 1 410.583 4.146 20 0 HIADMN Cc1cccc(C)c1OC[C@H](NC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000460472155 873157229 /nfs/dbraw/zinc/15/72/29/873157229.db2.gz XAIRACKJGURHGL-KNQAVFIVSA-N 0 1 404.514 4.003 20 0 HIADMN Cc1cccc(C)c1OC[C@H](NC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000460472157 873157524 /nfs/dbraw/zinc/15/75/24/873157524.db2.gz XAIRACKJGURHGL-UGKGYDQZSA-N 0 1 404.514 4.003 20 0 HIADMN Cc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1Oc1ncccc1Br ZINC000468612340 882723882 /nfs/dbraw/zinc/72/38/82/882723882.db2.gz YUTDMOVOWNXGMS-QGZVFWFLSA-N 0 1 406.324 4.470 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3c[nH]cc3-c3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000460710121 873494616 /nfs/dbraw/zinc/49/46/16/873494616.db2.gz QOOOVXUHTQWMOA-HDICACEKSA-N 0 1 421.516 4.360 20 0 HIADMN CCSc1cc(Cl)ccc1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000460720703 873520071 /nfs/dbraw/zinc/52/00/71/873520071.db2.gz WXLLYAWPVVPALB-UHFFFAOYSA-N 0 1 403.979 4.452 20 0 HIADMN CC(C)(C)n1cc(C(=O)N2CCN(C3CCCC3)CC2)c(-c2ccc(F)cc2F)n1 ZINC000460750288 873586616 /nfs/dbraw/zinc/58/66/16/873586616.db2.gz BBEZJMYFXNVPFS-UHFFFAOYSA-N 0 1 416.516 4.284 20 0 HIADMN O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CCN(C2CCCC2)CC1 ZINC000460751445 873588820 /nfs/dbraw/zinc/58/88/20/873588820.db2.gz GOQROUFDOCIQTR-UHFFFAOYSA-N 0 1 421.328 4.276 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(OCc2ccccn2)cc1 ZINC000460816772 873698567 /nfs/dbraw/zinc/69/85/67/873698567.db2.gz MRNPLAHBNOIWDM-JOCHJYFZSA-N 0 1 405.498 4.211 20 0 HIADMN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460827013 873712808 /nfs/dbraw/zinc/71/28/08/873712808.db2.gz DYTKBSNYPAEWBB-UHFFFAOYSA-N 0 1 401.887 4.312 20 0 HIADMN Cc1cccc(C)c1NCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000460905420 873813998 /nfs/dbraw/zinc/81/39/98/873813998.db2.gz ZHRRGDPROKNETM-UHFFFAOYSA-N 0 1 408.546 4.169 20 0 HIADMN CCN(CC)[C@H](CNC(=O)[C@@H](C)Oc1cccc(Br)c1)c1ccco1 ZINC000460911496 873819018 /nfs/dbraw/zinc/81/90/18/873819018.db2.gz UHWXUFGHNMXDRZ-RHSMWYFYSA-N 0 1 409.324 4.009 20 0 HIADMN Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000460977218 873870546 /nfs/dbraw/zinc/87/05/46/873870546.db2.gz KXPIMDSKFZDZFM-UHFFFAOYSA-N 0 1 421.464 4.280 20 0 HIADMN CC(C)c1ccc(C[C@@H]2CCN(CC(=O)Nc3cccc(C(=O)N(C)C)c3)C2)cc1 ZINC000460978718 873871372 /nfs/dbraw/zinc/87/13/72/873871372.db2.gz JFGKBLJPJJWWDW-FQEVSTJZSA-N 0 1 407.558 4.015 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1ccc(F)c(F)c1)N1CCCCC1 ZINC000460987463 873875193 /nfs/dbraw/zinc/87/51/93/873875193.db2.gz SWJMIHSJMGGTAL-IIBYNOLFSA-N 0 1 402.485 4.420 20 0 HIADMN C[C@]1(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)CCCN(C(=O)c2ccccc2)C1 ZINC000461048068 873916822 /nfs/dbraw/zinc/91/68/22/873916822.db2.gz HKZVDWBYYVHYIH-QFIPXVFZSA-N 0 1 423.904 4.006 20 0 HIADMN O=S1(=O)CCCN1c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000461082752 873991544 /nfs/dbraw/zinc/99/15/44/873991544.db2.gz DFOCWYSVJXHQIT-HSZRJFAPSA-N 0 1 410.514 4.245 20 0 HIADMN CC1(C)CN(C(=O)c2ccc(OCc3ccccn3)cc2)CCN1Cc1ccccc1 ZINC000461111084 874032771 /nfs/dbraw/zinc/03/27/71/874032771.db2.gz QKEVDCWGDNMGCR-UHFFFAOYSA-N 0 1 415.537 4.397 20 0 HIADMN CC(C)c1cccc(O[C@@H](C(=O)N2CC[C@H](CN3CCOCC3)C2)c2ccccc2)c1 ZINC000461178448 874158877 /nfs/dbraw/zinc/15/88/77/874158877.db2.gz FMAGOIMOYYFNMG-PXDATVDWSA-N 0 1 422.569 4.111 20 0 HIADMN Cc1ccc(S[C@H](C(=O)N2CC[C@H](CN3CCOCC3)C2)c2ccccc2)c(C)c1 ZINC000461187669 874180268 /nfs/dbraw/zinc/18/02/68/874180268.db2.gz DDPYWGRLKZXJBM-QPPBQGQZSA-N 0 1 424.610 4.318 20 0 HIADMN Cc1ccc(S[C@H](C(=O)N2CC[C@@H](CN3CCOCC3)C2)c2ccccc2)c(C)c1 ZINC000461187670 874180280 /nfs/dbraw/zinc/18/02/80/874180280.db2.gz DDPYWGRLKZXJBM-URXFXBBRSA-N 0 1 424.610 4.318 20 0 HIADMN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000461199010 874201061 /nfs/dbraw/zinc/20/10/61/874201061.db2.gz PGZNVFRWNGQEQT-UHFFFAOYSA-N 0 1 402.292 4.175 20 0 HIADMN COCCCCc1cccnc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000461217128 874219898 /nfs/dbraw/zinc/21/98/98/874219898.db2.gz KSLOXLOPFWJJOW-UHFFFAOYSA-N 0 1 402.438 4.179 20 0 HIADMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000474017964 888871519 /nfs/dbraw/zinc/87/15/19/888871519.db2.gz CKEDBHIMMPMOQB-ZFWWWQNUSA-N 0 1 406.162 4.290 20 0 HIADMN CCOc1cc(NC2CCN(Cc3cnc(-c4ccsc4)s3)CC2)ncn1 ZINC000468690189 882813614 /nfs/dbraw/zinc/81/36/14/882813614.db2.gz XTGJQXKSDXENQS-UHFFFAOYSA-N 0 1 401.561 4.137 20 0 HIADMN C[C@@H]1CN(Cc2ccccc2)CCN1c1nnc(-c2ccoc2)n1Cc1cccs1 ZINC000461331425 874341586 /nfs/dbraw/zinc/34/15/86/874341586.db2.gz KPDQNUDKLWEJKG-GOSISDBHSA-N 0 1 419.554 4.359 20 0 HIADMN Cc1nn(C)c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)ccc12 ZINC000461345784 874354865 /nfs/dbraw/zinc/35/48/65/874354865.db2.gz UHZCGKGHSQHEMK-UHFFFAOYSA-N 0 1 403.813 4.355 20 0 HIADMN c1c2c(sc1-c1nnc(CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)o1)CCCC2 ZINC000461359671 874362324 /nfs/dbraw/zinc/36/23/24/874362324.db2.gz CCXPGNNXCRIXNY-OAHLLOKOSA-N 0 1 410.547 4.052 20 0 HIADMN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000468711771 882824814 /nfs/dbraw/zinc/82/48/14/882824814.db2.gz RDKDILNSVANXJA-MJGOQNOKSA-N 0 1 418.419 4.246 20 0 HIADMN O=C(CN[C@H](c1ccccc1)C(F)(F)F)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000468711770 882824948 /nfs/dbraw/zinc/82/49/48/882824948.db2.gz RDKDILNSVANXJA-IEBWSBKVSA-N 0 1 418.419 4.246 20 0 HIADMN COc1cc(-c2ccccc2)ccc1CNCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000461426626 874462788 /nfs/dbraw/zinc/46/27/88/874462788.db2.gz OFTRUXWJTDRVDN-UHFFFAOYSA-N 0 1 422.550 4.192 20 0 HIADMN O=C(c1cccnc1N1CCCC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000461577974 874682803 /nfs/dbraw/zinc/68/28/03/874682803.db2.gz KWWUSHBDPOBNLO-UHFFFAOYSA-N 0 1 418.585 4.343 20 0 HIADMN O=C(c1cccnc1N1CCCC1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000461577974 874682811 /nfs/dbraw/zinc/68/28/11/874682811.db2.gz KWWUSHBDPOBNLO-UHFFFAOYSA-N 0 1 418.585 4.343 20 0 HIADMN C[C@@H](CC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000461594944 874717408 /nfs/dbraw/zinc/71/74/08/874717408.db2.gz SEDYBZWACUZHEG-IRXDYDNUSA-N 0 1 412.496 4.349 20 0 HIADMN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1 ZINC000461601043 874730422 /nfs/dbraw/zinc/73/04/22/874730422.db2.gz KLPFNXBJNDWCKM-UHFFFAOYSA-N 0 1 423.904 4.028 20 0 HIADMN CN1CCN(Cc2ccc(C(=O)Nc3cc(F)ccc3SCC(F)F)cc2)CC1 ZINC000468797037 882864783 /nfs/dbraw/zinc/86/47/83/882864783.db2.gz CNYRMLGHHJIPFD-UHFFFAOYSA-N 0 1 423.504 4.183 20 0 HIADMN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000468803770 882866850 /nfs/dbraw/zinc/86/68/50/882866850.db2.gz CNMIGRCKWUELNE-QGZVFWFLSA-N 0 1 422.479 4.044 20 0 HIADMN Cc1c([C@@H](C)NCc2ccc(Br)cc2N2CCOCC2)cnn1C(C)C ZINC000468810136 882871310 /nfs/dbraw/zinc/87/13/10/882871310.db2.gz DMMBTHMSFKHVFU-OAHLLOKOSA-N 0 1 421.383 4.222 20 0 HIADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)[nH]c1-c1ccccc1 ZINC000461797139 874911966 /nfs/dbraw/zinc/91/19/66/874911966.db2.gz KAJJDJNZIVXYHT-AWEZNQCLSA-N 0 1 417.918 4.148 20 0 HIADMN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000468832185 882881299 /nfs/dbraw/zinc/88/12/99/882881299.db2.gz FVCNIOUESRDPLZ-QWQRMKEZSA-N 0 1 412.361 4.186 20 0 HIADMN Cc1[nH]ncc1CNC(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000461926125 875064475 /nfs/dbraw/zinc/06/44/75/875064475.db2.gz BZLZACSUBIARFJ-UHFFFAOYSA-N 0 1 408.849 4.429 20 0 HIADMN Cc1cc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)ccc1Oc1cccnc1 ZINC000461956691 875085335 /nfs/dbraw/zinc/08/53/35/875085335.db2.gz IUVYDNIGUPCMHA-UHFFFAOYSA-N 0 1 416.525 4.182 20 0 HIADMN C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000462010644 875131112 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421.585 4.055 20 0 HIADMN COc1ccccc1OCc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)o1 ZINC000462166283 875262963 /nfs/dbraw/zinc/26/29/63/875262963.db2.gz SQWRTRCHQOJRKY-RXVVDRJESA-N 0 1 420.509 4.118 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@H]2CCc3c2cc(Br)cc3Cl)s1 ZINC000468882087 882919250 /nfs/dbraw/zinc/91/92/50/882919250.db2.gz FLQKVWIFRVTFGD-AWEZNQCLSA-N 0 1 420.781 4.345 20 0 HIADMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000468882914 882919944 /nfs/dbraw/zinc/91/99/44/882919944.db2.gz ICIQXJPEEAHAAH-UHFFFAOYSA-N 0 1 416.543 4.073 20 0 HIADMN CCCOc1ccc(N2C(=O)C[C@H](N3CC[C@@H](CSc4ccccc4)C3)C2=O)cc1 ZINC000462289312 875413005 /nfs/dbraw/zinc/41/30/05/875413005.db2.gz PEDPIEJLBPWEJM-GCJKJVERSA-N 0 1 424.566 4.222 20 0 HIADMN CN1CCC[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)[C@@H]1c1cccs1 ZINC000462293030 875416294 /nfs/dbraw/zinc/41/62/94/875416294.db2.gz CJJCGDIBKJUFHL-GHTZIAJQSA-N 0 1 400.569 4.263 20 0 HIADMN C[C@H]1CCCN(c2cc(C(=O)N3CCC[C@@H](c4ncc(C(F)(F)F)[nH]4)C3)ccn2)C1 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CCCCc1nc2ccc(NC(=O)[C@@H]3CCC(=O)N3Cc3ccc(C)cc3)cc2[nH]1 ZINC000463534830 876611599 /nfs/dbraw/zinc/61/15/99/876611599.db2.gz XZSBRBVPDMXNMU-NRFANRHFSA-N 0 1 404.514 4.344 20 0 HIADMN Cc1nn(C)c(Sc2ccccc2)c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000463582598 876684121 /nfs/dbraw/zinc/68/41/21/876684121.db2.gz MBVDTCKICGLLRO-FPOVZHCZSA-N 0 1 406.555 4.055 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000463637501 876755069 /nfs/dbraw/zinc/75/50/69/876755069.db2.gz DTAFUMRYVCVJHD-UHFFFAOYSA-N 0 1 423.582 4.074 20 0 HIADMN COCCCN1Cc2cccc(N[C@@H]3CCCN(c4ccccc4Cl)C3=O)c2C1 ZINC000463918827 877039617 /nfs/dbraw/zinc/03/96/17/877039617.db2.gz FZBUXZUYUAOPPZ-OAQYLSRUSA-N 0 1 413.949 4.300 20 0 HIADMN COc1ccc(C[C@@H]2CCCN(C(=O)NC[C@H](c3ccco3)N3CCCC3)C2)cc1 ZINC000463962676 877088239 /nfs/dbraw/zinc/08/82/39/877088239.db2.gz VYGDUEHMEXOPMI-RBBKRZOGSA-N 0 1 411.546 4.089 20 0 HIADMN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000463968081 877094415 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20 0 HIADMN C[C@H](CC(=O)c1ccccc1F)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000464077377 877227146 /nfs/dbraw/zinc/22/71/46/877227146.db2.gz QLNGCDZNSVCTJZ-WHSLLNHNSA-N 0 1 402.535 4.295 20 0 HIADMN Cc1c2ccc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)cc2nn1C ZINC000464095593 877250638 /nfs/dbraw/zinc/25/06/38/877250638.db2.gz XTZOCLAJJNXLHH-KRWDZBQOSA-N 0 1 421.549 4.459 20 0 HIADMN CCc1ccccc1O[C@@H](C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)c1ccccc1 ZINC000503239361 912218286 /nfs/dbraw/zinc/21/82/86/912218286.db2.gz KOKMAXIDFMSXJF-NBGIEHNGSA-N 0 1 422.569 4.081 20 0 HIADMN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000503240017 912220704 /nfs/dbraw/zinc/22/07/04/912220704.db2.gz GDVYKASIOFNSHR-INIZCTEOSA-N 0 1 421.463 4.185 20 0 HIADMN COc1ccccc1C[C@H](C)N(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000464166034 877333704 /nfs/dbraw/zinc/33/37/04/877333704.db2.gz WRWGEGDHRQKSLX-LBPRGKRZSA-N 0 1 402.292 4.037 20 0 HIADMN O=C(c1ccc(CN2CCSCC2)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464318726 877508696 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Cc1ccc(-c2ccc(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)c(F)c2)cc1C ZINC000503288415 912270580 /nfs/dbraw/zinc/27/05/80/912270580.db2.gz HEIHNWHGBHDNTH-DEOSSOPVSA-N 0 1 411.565 4.111 20 0 HIADMN CCOc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1OCC ZINC000464556195 877772524 /nfs/dbraw/zinc/77/25/24/877772524.db2.gz QHMUFSVLBUUQOO-UHFFFAOYSA-N 0 1 404.264 4.375 20 0 HIADMN CCc1c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cnn1-c1ccccc1 ZINC000464557338 877774869 /nfs/dbraw/zinc/77/48/69/877774869.db2.gz NNZCVCBNXOGSIJ-UHFFFAOYSA-N 0 1 410.275 4.326 20 0 HIADMN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464559511 877777093 /nfs/dbraw/zinc/77/70/93/877777093.db2.gz UZQURCNFVJQNBY-UHFFFAOYSA-N 0 1 411.259 4.470 20 0 HIADMN C/C=C\c1ccc(OCC(=O)Nc2nc3ccc(Br)cc3[nH]2)c(OC)c1 ZINC000464571590 877792841 /nfs/dbraw/zinc/79/28/41/877792841.db2.gz DVIZUWJMIVWJOG-ARJAWSKDSA-N 0 1 416.275 4.385 20 0 HIADMN C[C@H]1Sc2ccc(C(=O)Nc3nc4ccc(Br)cc4[nH]3)cc2NC1=O ZINC000464576716 877799847 /nfs/dbraw/zinc/79/98/47/877799847.db2.gz 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ZINC000464623732 877841866 /nfs/dbraw/zinc/84/18/66/877841866.db2.gz PBJFIUSDYWROHP-JTSKRJEESA-N 0 1 412.578 4.360 20 0 HIADMN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000464749420 877985661 /nfs/dbraw/zinc/98/56/61/877985661.db2.gz ICYHNMVKBZIIIR-IBGZPJMESA-N 0 1 410.562 4.031 20 0 HIADMN COc1ccc([C@@H](NC(=O)CN2CC[C@H](CSc3ccccc3)C2)C2CC2)cc1 ZINC000464760749 878000577 /nfs/dbraw/zinc/00/05/77/878000577.db2.gz ASNXIRZZZIPLIB-UUOWRZLLSA-N 0 1 410.583 4.377 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](CSc3ccccc3)C2)cc1OC ZINC000464762306 878004257 /nfs/dbraw/zinc/00/42/57/878004257.db2.gz JWBFUUFEZPVETO-SJORKVTESA-N 0 1 400.544 4.145 20 0 HIADMN O=C(CN1CC[C@@H](CSc2ccccc2)C1)NCCc1nc2ccccc2s1 ZINC000464769740 878012319 /nfs/dbraw/zinc/01/23/19/878012319.db2.gz JPITUONHYKSUBR-QGZVFWFLSA-N 0 1 411.596 4.069 20 0 HIADMN CCS[C@H]1CC[C@@H](N(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000464772410 878015628 /nfs/dbraw/zinc/01/56/28/878015628.db2.gz MRGSJWZCYOQUDT-SJORKVTESA-N 0 1 406.983 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405.542 4.138 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000464943081 878276933 /nfs/dbraw/zinc/27/69/33/878276933.db2.gz SEHYDNXTTQSQCC-BKMJKUGQSA-N 0 1 419.569 4.070 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000464945188 878281462 /nfs/dbraw/zinc/28/14/62/878281462.db2.gz ZPNFGAJPOCLCLK-CVEARBPZSA-N 0 1 413.484 4.144 20 0 HIADMN CSCc1ccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000503361711 912337270 /nfs/dbraw/zinc/33/72/70/912337270.db2.gz AQXDBXSTBWYHHG-INIZCTEOSA-N 0 1 416.566 4.323 20 0 HIADMN CCO[C@H](CC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1)C1=CCCC1 ZINC000465176132 878563509 /nfs/dbraw/zinc/56/35/09/878563509.db2.gz OOTYKZANVWDATB-FDDCHVKYSA-N 0 1 417.569 4.050 20 0 HIADMN Cc1ccc2nc(CNC(=O)[C@H](C)Oc3ccc(C)cc3Br)[nH]c2c1 ZINC000465184016 878573541 /nfs/dbraw/zinc/57/35/41/878573541.db2.gz KJYZYDXSQDUPEF-ZDUSSCGKSA-N 0 1 402.292 4.026 20 0 HIADMN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3nc4ccc(C)cc4[nH]3)c12 ZINC000465185480 878575382 /nfs/dbraw/zinc/57/53/82/878575382.db2.gz MCBQTHHNFLFIJC-UHFFFAOYSA-N 0 1 416.529 4.487 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3ccc(Br)cc3OC(C)C)[nH]c2c1 ZINC000465187210 878580022 /nfs/dbraw/zinc/58/00/22/878580022.db2.gz RGXGVBSIJOACKM-UHFFFAOYSA-N 0 1 402.292 4.351 20 0 HIADMN Cc1ccc2nc(CNC(=O)COc3ccc4cc(Br)ccc4c3)[nH]c2c1 ZINC000465190720 878586820 /nfs/dbraw/zinc/58/68/20/878586820.db2.gz ISYWLUHHVRCBPX-UHFFFAOYSA-N 0 1 424.298 4.482 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(F)c2C)c1 ZINC000465279940 878716112 /nfs/dbraw/zinc/71/61/12/878716112.db2.gz CVUQMYBJOFIUEG-UHFFFAOYSA-N 0 1 414.458 4.196 20 0 HIADMN COc1ccccc1N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)C1 ZINC000465303451 878747732 /nfs/dbraw/zinc/74/77/32/878747732.db2.gz LRAXUMYRSURTCD-DYESRHJHSA-N 0 1 419.529 4.005 20 0 HIADMN O=C(NCc1c(F)cccc1OC(F)F)NC[C@H](c1ccco1)N1CCCCC1 ZINC000465412866 878846052 /nfs/dbraw/zinc/84/60/52/878846052.db2.gz ZIBYMIMAHAFJNY-MRXNPFEDSA-N 0 1 411.424 4.047 20 0 HIADMN CN(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1OC(F)F)c1cccs1 ZINC000465412701 878846393 /nfs/dbraw/zinc/84/63/93/878846393.db2.gz YVYSONOTXIFZHX-ZDUSSCGKSA-N 0 1 403.882 4.105 20 0 HIADMN Cc1ccccc1[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)[C@@H](C)CO1 ZINC000465412126 878846461 /nfs/dbraw/zinc/84/64/61/878846461.db2.gz XMZDASOLHQKYKI-RRPUWOKSSA-N 0 1 411.546 4.287 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1c(F)cccc1OC)N1CCCC1 ZINC000465424092 878854099 /nfs/dbraw/zinc/85/40/99/878854099.db2.gz SQLFCAROPVTTIG-VQIMIIECSA-N 0 1 415.509 4.040 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N[C@H](c1ncc(C)s1)C1CC1)N1CCCC1 ZINC000465434323 878866373 /nfs/dbraw/zinc/86/63/73/878866373.db2.gz QCWVAJRKNGIZBS-ICSRJNTNSA-N 0 1 414.575 4.048 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NC[C@@H]3CCC[C@@H](C)C3)CC2)c1C ZINC000503417100 912403286 /nfs/dbraw/zinc/40/32/86/912403286.db2.gz YJRHEILAIJQCBJ-YLJYHZDGSA-N 0 1 416.610 4.139 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCC(C(F)(F)F)CC1 ZINC000465529501 878983842 /nfs/dbraw/zinc/98/38/42/878983842.db2.gz QTVMQNHNLLGCFO-QGZVFWFLSA-N 0 1 403.876 4.461 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccsc1 ZINC000465534558 878994050 /nfs/dbraw/zinc/99/40/50/878994050.db2.gz RNMNHLVVLSSLSO-CQSZACIVSA-N 0 1 403.882 4.105 20 0 HIADMN CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000465555775 879022304 /nfs/dbraw/zinc/02/23/04/879022304.db2.gz LZJIENDXSKFOAJ-TYBLODHISA-N 0 1 423.601 4.459 20 0 HIADMN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CCN(Cc3ccccn3)CC2)o1 ZINC000465556111 879023149 /nfs/dbraw/zinc/02/31/49/879023149.db2.gz OKUMOOPDKIHLKN-GCJKJVERSA-N 0 1 410.562 4.384 20 0 HIADMN Cc1ccc(CC[C@@H](C)NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)o1 ZINC000465558043 879027140 /nfs/dbraw/zinc/02/71/40/879027140.db2.gz LWAMVQJFMDNRQE-RLLQIKCJSA-N 0 1 413.562 4.018 20 0 HIADMN CCO[C@H]1C[C@@H](NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C12CCCC2 ZINC000465617751 879119565 /nfs/dbraw/zinc/11/95/65/879119565.db2.gz CTYZXDADDDKPRL-RTWAWAEBSA-N 0 1 419.997 4.341 20 0 HIADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503427561 912423021 /nfs/dbraw/zinc/42/30/21/912423021.db2.gz DFWPAJVVIIDBLP-LNLFQRSKSA-N 0 1 414.981 4.318 20 0 HIADMN C[C@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000465640438 879155904 /nfs/dbraw/zinc/15/59/04/879155904.db2.gz QYKARRIDYDRMRR-OAHLLOKOSA-N 0 1 405.464 4.171 20 0 HIADMN CO[C@@H](CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000465646480 879164540 /nfs/dbraw/zinc/16/45/40/879164540.db2.gz QBCGAUJGJOTTTH-NRFANRHFSA-N 0 1 419.928 4.130 20 0 HIADMN Cc1ccc2nc(CNC(=O)NCC(C)(C)c3ccc(Br)cc3)[nH]c2c1 ZINC000465662488 879191420 /nfs/dbraw/zinc/19/14/20/879191420.db2.gz MHVODSCZRQHWSY-UHFFFAOYSA-N 0 1 415.335 4.411 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N1CCOC[C@H]1c1ccccc1)N1CCCCC1 ZINC000465695478 879253522 /nfs/dbraw/zinc/25/35/22/879253522.db2.gz TWTKMVQWPKKCNB-GOTSBHOMSA-N 0 1 423.557 4.005 20 0 HIADMN c1nc([C@H]2CCCN(Cc3nn(-c4ccccc4)c4c3CCC4)C2)n2c1CCCC2 ZINC000503434225 912438214 /nfs/dbraw/zinc/43/82/14/912438214.db2.gz DXIRGEFYQPLMKB-IBGZPJMESA-N 0 1 401.558 4.273 20 0 HIADMN Cc1ccc2nc(CNC(=O)N[C@@H](C)Cc3cccc(Br)c3)[nH]c2c1 ZINC000465730545 879311832 /nfs/dbraw/zinc/31/18/32/879311832.db2.gz YEEXBAYILACUGS-ZDUSSCGKSA-N 0 1 401.308 4.064 20 0 HIADMN CN(Cc1ccccc1NC(=O)c1cccc(-c2nnc[nH]2)c1)C(=O)c1cccs1 ZINC000503439451 912452984 /nfs/dbraw/zinc/45/29/84/912452984.db2.gz VHONNAZFILWZIC-UHFFFAOYSA-N 0 1 417.494 4.058 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)NC[C@H](C)Oc2ccccc2Cl)N2CCCC2)o1 ZINC000465803499 879415179 /nfs/dbraw/zinc/41/51/79/879415179.db2.gz FFKDLAIPKSQKON-FUHWJXTLSA-N 0 1 405.926 4.145 20 0 HIADMN CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)s1 ZINC000465802699 879415542 /nfs/dbraw/zinc/41/55/42/879415542.db2.gz DTFCOIZHQLBVHI-IAGOWNOFSA-N 0 1 404.580 4.455 20 0 HIADMN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000503440117 912454638 /nfs/dbraw/zinc/45/46/38/912454638.db2.gz YFHMQZXGYFHBQL-SSEXGKCCSA-N 0 1 416.506 4.173 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000465839921 879477131 /nfs/dbraw/zinc/47/71/31/879477131.db2.gz QNYACQLYJQTBEF-DLBZAZTESA-N 0 1 402.558 4.001 20 0 HIADMN Ic1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503443094 912462339 /nfs/dbraw/zinc/46/23/39/912462339.db2.gz VTLALHRMSMMSJE-INIZCTEOSA-N 0 1 421.326 4.204 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@H](C)C[C@@H]3c3ccc(C)o3)n2)cc1 ZINC000465975734 879645747 /nfs/dbraw/zinc/64/57/47/879645747.db2.gz DCKSVFBZHMTNFG-KBXCAEBGSA-N 0 1 409.490 4.065 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)N3CC[C@H](C)C[C@@H]3c3ccc(C)o3)n[nH]2)cc1 ZINC000465975734 879645753 /nfs/dbraw/zinc/64/57/53/879645753.db2.gz DCKSVFBZHMTNFG-KBXCAEBGSA-N 0 1 409.490 4.065 20 0 HIADMN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000465974838 879645887 /nfs/dbraw/zinc/64/58/87/879645887.db2.gz AEPHRPJXTVFWFA-HOTGVXAUSA-N 0 1 418.339 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ZINC000466345981 880103469 /nfs/dbraw/zinc/10/34/69/880103469.db2.gz IJVPKKZUBUETME-INIZCTEOSA-N 0 1 401.530 4.337 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000466360280 880116968 /nfs/dbraw/zinc/11/69/68/880116968.db2.gz ATGMLAVXYXKLJL-UHFFFAOYSA-N 0 1 410.949 4.269 20 0 HIADMN Clc1ccc(N2CCOCC2)c(CNCc2csc(Br)c2)c1 ZINC000466362745 880120321 /nfs/dbraw/zinc/12/03/21/880120321.db2.gz QITBDDISXTYRQS-UHFFFAOYSA-N 0 1 401.757 4.290 20 0 HIADMN Clc1ccc(N2CCOCC2)c(CNCc2cccc(OCc3ccccn3)c2)c1 ZINC000466362067 880120843 /nfs/dbraw/zinc/12/08/43/880120843.db2.gz HRCLGFGFQIWGNL-UHFFFAOYSA-N 0 1 423.944 4.440 20 0 HIADMN Brc1cncc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000466365367 880123601 /nfs/dbraw/zinc/12/36/01/880123601.db2.gz WKIRUBHHZVFCLP-UHFFFAOYSA-N 0 1 420.314 4.382 20 0 HIADMN Cc1cc(CNCc2c[nH]c(-c3ccccc3)n2)ccc1I ZINC000466365595 880123719 /nfs/dbraw/zinc/12/37/19/880123719.db2.gz WDTXUFNGSQBOOF-UHFFFAOYSA-N 0 1 403.267 4.280 20 0 HIADMN CC(C)(C)c1ncc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000466446565 880223183 /nfs/dbraw/zinc/22/31/83/880223183.db2.gz RGCMBFUWNUXXCE-AWEZNQCLSA-N 0 1 411.493 4.350 20 0 HIADMN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000466470708 880253493 /nfs/dbraw/zinc/25/34/93/880253493.db2.gz AWVYZQKJAFHRJX-UHFFFAOYSA-N 0 1 400.456 4.052 20 0 HIADMN CN(CCC1CCOCC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000466507780 880283540 /nfs/dbraw/zinc/28/35/40/880283540.db2.gz ZCAVYOIZGPCOHW-UHFFFAOYSA-N 0 1 407.986 4.010 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H]3CCCc4sccc43)cc2)C[C@@H](C)O1 ZINC000466556552 880331184 /nfs/dbraw/zinc/33/11/84/880331184.db2.gz QEIWDLXZTNVCCT-LZJOCLMNSA-N 0 1 413.587 4.234 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1cc2cc(Br)ccc2[nH]1)c1ccsc1 ZINC000466564498 880339480 /nfs/dbraw/zinc/33/94/80/880339480.db2.gz RMSDRWVCJGJWEF-QGZVFWFLSA-N 0 1 421.364 4.094 20 0 HIADMN CCc1c(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cnn1-c1ccccc1 ZINC000466653462 880430913 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CC(C)Oc1ccc(CCNC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000477437013 892387966 /nfs/dbraw/zinc/38/79/66/892387966.db2.gz ORMYOHGILIWATA-UHFFFAOYSA-N 0 1 420.475 4.430 20 0 HIADMN CN1CC[C@@H](CNC(=O)CCn2cnc3ccccc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477459882 892422239 /nfs/dbraw/zinc/42/22/39/892422239.db2.gz PJUGFEZMAZESME-AOMKIAJQSA-N 0 1 414.912 4.028 20 0 HIADMN CN1CC[C@@H](CNC(=O)c2ccnc(OC3CCC3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477462151 892429314 /nfs/dbraw/zinc/42/93/14/892429314.db2.gz YABXFNQSFRQJJX-KKSFZXQISA-N 0 1 417.912 4.228 20 0 HIADMN O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000477463785 892430588 /nfs/dbraw/zinc/43/05/88/892430588.db2.gz APAOXDMMINJXKW-MRXNPFEDSA-N 0 1 411.811 4.293 20 0 HIADMN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504925916 913663792 /nfs/dbraw/zinc/66/37/92/913663792.db2.gz SQLNTOZQEVBDMG-JTHBVZDNSA-N 0 1 409.530 4.031 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N[C@H]2c3ccccc3C[C@H]2C)CC1 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O=C(NC1CCN(Cc2ccccn2)CC1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000485304447 900583182 /nfs/dbraw/zinc/58/31/82/900583182.db2.gz PDEAWJQALWQZRQ-UHFFFAOYSA-N 0 1 412.537 4.485 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000485320797 900600892 /nfs/dbraw/zinc/60/08/92/900600892.db2.gz KQNVZAXEPQDJAT-VXGBXAGGSA-N 0 1 416.403 4.031 20 0 HIADMN CCOCc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000485348970 900641688 /nfs/dbraw/zinc/64/16/88/900641688.db2.gz QSBQQMQNLGOHHX-RPWUZVMVSA-N 0 1 423.557 4.009 20 0 HIADMN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000485372317 900669183 /nfs/dbraw/zinc/66/91/83/900669183.db2.gz AHTZGILCYVOOFW-UHFFFAOYSA-N 0 1 418.412 4.174 20 0 HIADMN CCn1ncc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Br)cc21 ZINC000485391267 900686968 /nfs/dbraw/zinc/68/69/68/900686968.db2.gz AWEMSFVSWBNYFQ-UHFFFAOYSA-N 0 1 414.712 4.273 20 0 HIADMN CCOCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485391511 900686994 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HIADMN C[C@H](NCC(=O)N1CCC(OCc2ccccc2)CC1)c1ccc2ncsc2c1 ZINC000485814693 901062847 /nfs/dbraw/zinc/06/28/47/901062847.db2.gz AHKQCGIZLGTQPY-KRWDZBQOSA-N 0 1 409.555 4.155 20 0 HIADMN O=C(NCc1ccco1)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000485817952 901065880 /nfs/dbraw/zinc/06/58/80/901065880.db2.gz RAFTTWKPAZJHTD-UHFFFAOYSA-N 0 1 423.853 4.195 20 0 HIADMN C[C@@H](NCc1nc2ccc(Br)cc2n1C)c1ccc(-n2cccn2)cc1 ZINC000485817737 901066279 /nfs/dbraw/zinc/06/62/79/901066279.db2.gz GKUNFUXPSQFDDK-CQSZACIVSA-N 0 1 410.319 4.372 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccc3ncsc3c2)c1 ZINC000485837000 901082485 /nfs/dbraw/zinc/08/24/85/901082485.db2.gz ZIEVUANVVNJMSP-OAHLLOKOSA-N 0 1 410.543 4.068 20 0 HIADMN C[C@@H]1CN(C2CCN(C(=O)c3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)CCO1 ZINC000485939086 901161118 /nfs/dbraw/zinc/16/11/18/901161118.db2.gz LDMCLFQFDQOYRE-MRXNPFEDSA-N 0 1 416.468 4.082 20 0 HIADMN O=S(=O)(NC[C@@H](c1ccccc1)C(F)(F)F)c1sccc1Br ZINC000485952825 901172946 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20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)n[nH]1 ZINC000486123717 901310606 /nfs/dbraw/zinc/31/06/06/901310606.db2.gz GUIJKWRMELYWLY-YDHLFZDLSA-N 0 1 421.929 4.412 20 0 HIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc(F)ccc2OCC(F)(F)F)n[nH]1 ZINC000486151350 901338928 /nfs/dbraw/zinc/33/89/28/901338928.db2.gz BUQYXCLEFIBTFX-ZJUUUORDSA-N 0 1 403.380 4.281 20 0 HIADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C)[C@@H](C(C)C)C3)cc2)cc1 ZINC000486158412 901346439 /nfs/dbraw/zinc/34/64/39/901346439.db2.gz XHMVRRKEUYHHKR-JOCHJYFZSA-N 0 1 424.545 4.142 20 0 HIADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(C)[C@H](C(C)C)C3)cc2)cc1 ZINC000486158414 901346807 /nfs/dbraw/zinc/34/68/07/901346807.db2.gz XHMVRRKEUYHHKR-QFIPXVFZSA-N 0 1 424.545 4.142 20 0 HIADMN COc1cccc2c(C(=O)Nc3ccc(Sc4nncs4)c(Cl)c3)n[nH]c21 ZINC000486168876 901356507 /nfs/dbraw/zinc/35/65/07/901356507.db2.gz VNCOGJWBCCEFEH-UHFFFAOYSA-N 0 1 417.903 4.480 20 0 HIADMN CC[NH+](CC)[C@H](CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)Cc1ccccc1 ZINC000486172233 901358440 /nfs/dbraw/zinc/35/84/40/901358440.db2.gz ZRQVQGARYYKENR-NRFANRHFSA-N 0 1 405.546 4.226 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCC(c2c(F)cccc2F)CC1 ZINC000486173727 901360179 /nfs/dbraw/zinc/36/01/79/901360179.db2.gz KAYIPUSTIXJJDD-IBGZPJMESA-N 0 1 403.473 4.284 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)n[nH]1 ZINC000486174336 901360368 /nfs/dbraw/zinc/36/03/68/901360368.db2.gz HYKQEPOSKKANRP-HUUCEWRRSA-N 0 1 424.505 4.184 20 0 HIADMN O=C(NC[C@H](c1ccccc1)C(F)(F)F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000486197257 901382044 /nfs/dbraw/zinc/38/20/44/901382044.db2.gz VZXSDPVAVKDEFX-HXUWFJFHSA-N 0 1 423.454 4.435 20 0 HIADMN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000486197256 901382379 /nfs/dbraw/zinc/38/23/79/901382379.db2.gz VZXSDPVAVKDEFX-FQEVSTJZSA-N 0 1 423.454 4.435 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)n[nH]1 ZINC000486247641 901431167 /nfs/dbraw/zinc/43/11/67/901431167.db2.gz 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Cc1ccc2[nH]c(CN3CCC[C@H](n4ncc(N(C)C(C)C)cc4=O)C3)cc2c1C ZINC000486416477 901574953 /nfs/dbraw/zinc/57/49/53/901574953.db2.gz MKXMTDGOLKQSAU-FQEVSTJZSA-N 0 1 407.562 4.023 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2C(F)(F)F)N2CCCC2)c1 ZINC000486451467 901610017 /nfs/dbraw/zinc/61/00/17/901610017.db2.gz ZNQOMMNSIKBRLI-LJQANCHMSA-N 0 1 410.411 4.420 20 0 HIADMN Fc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(Br)c1 ZINC000486459109 901618889 /nfs/dbraw/zinc/61/88/89/901618889.db2.gz JZZIMKVLHPYGDY-FOIQADDNSA-N 0 1 420.326 4.477 20 0 HIADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000486490125 901643889 /nfs/dbraw/zinc/64/38/89/901643889.db2.gz SMBSCWWQBHVUBJ-JKSUJKDBSA-N 0 1 413.280 4.016 20 0 HIADMN COc1cccc(CC2(C(=O)NC3CCN(Cc4cccnc4)CC3)CCCCC2)c1 ZINC000486489700 901644097 /nfs/dbraw/zinc/64/40/97/901644097.db2.gz GCRWNHXOMCMTIN-UHFFFAOYSA-N 0 1 421.585 4.364 20 0 HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCN(C)[C@H](C(C)C)C3)s2)cc1 ZINC000486513645 901663616 /nfs/dbraw/zinc/66/36/16/901663616.db2.gz COWJNUMDKJQCLA-APWZRJJASA-N 0 1 416.591 4.170 20 0 HIADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000486523823 901675610 /nfs/dbraw/zinc/67/56/10/901675610.db2.gz YGQAEHIMZHWQEE-UHFFFAOYSA-N 0 1 424.478 4.237 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)n[nH]1 ZINC000486595854 901734529 /nfs/dbraw/zinc/73/45/29/901734529.db2.gz AVEISVBSIRWALW-IUCAKERBSA-N 0 1 410.849 4.030 20 0 HIADMN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n[nH]1 ZINC000486634869 901766032 /nfs/dbraw/zinc/76/60/32/901766032.db2.gz JFSWNTWTHLRKJH-SFYZADRCSA-N 0 1 411.742 4.318 20 0 HIADMN CCC(CC)n1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)n1 ZINC000486846162 901892447 /nfs/dbraw/zinc/89/24/47/901892447.db2.gz YFGSFZDUZJOBAE-WZONZLPQSA-N 0 1 406.534 4.243 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1OC(F)F)N1CCCC1 ZINC000486854952 901900411 /nfs/dbraw/zinc/90/04/11/901900411.db2.gz RZAKGDJTCBXPGI-QGZVFWFLSA-N 0 1 408.420 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OMDFHQOJXXGKJE-RTBURBONSA-N 0 1 409.574 4.039 20 0 HIADMN CCC[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1cccc(C(F)(F)F)c1 ZINC000487626686 902257975 /nfs/dbraw/zinc/25/79/75/902257975.db2.gz JYJDLKUSZISEEI-LJQANCHMSA-N 0 1 420.479 4.123 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2ccc(OCc3ccccc3)cc2)n[nH]1 ZINC000487635742 902264332 /nfs/dbraw/zinc/26/43/32/902264332.db2.gz YFPOBDUGCYMMTF-IAGOWNOFSA-N 0 1 407.518 4.458 20 0 HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)s2)cc1 ZINC000487655062 902275968 /nfs/dbraw/zinc/27/59/68/902275968.db2.gz DNCDMSWFPJCTBC-SWLSCSKDSA-N 0 1 413.547 4.150 20 0 HIADMN O=C(Nc1cc(F)cc(Cl)c1O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 ZINC000487674582 902285466 /nfs/dbraw/zinc/28/54/66/902285466.db2.gz KHBICFCQIGSUHN-YWZLYKJASA-N 0 1 415.852 4.146 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC[C@H]1CCCc1ccccc1 ZINC000487792227 902367859 /nfs/dbraw/zinc/36/78/59/902367859.db2.gz AEHJOXDQYFSLCF-XMMPIXPASA-N 0 1 406.574 4.243 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000487792226 902368512 /nfs/dbraw/zinc/36/85/12/902368512.db2.gz AEHJOXDQYFSLCF-DEOSSOPVSA-N 0 1 406.574 4.243 20 0 HIADMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000487905759 902442876 /nfs/dbraw/zinc/44/28/76/902442876.db2.gz GGDVYIQUQTXANV-ZWSUVBHBSA-N 0 1 417.553 4.150 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(N[C@H](C)c2nnc(-c3ccc(C)cc3)o2)c1 ZINC000487992445 902514263 /nfs/dbraw/zinc/51/42/63/902514263.db2.gz LKFSNJFXMJSSFN-QGZVFWFLSA-N 0 1 407.518 4.498 20 0 HIADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000488003263 902523139 /nfs/dbraw/zinc/52/31/39/902523139.db2.gz ATBYMGRXMZSHDX-YCRPNKLZSA-N 0 1 412.484 4.216 20 0 HIADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000488003253 902523383 /nfs/dbraw/zinc/52/33/83/902523383.db2.gz ATBYMGRXMZSHDX-BTYIYWSLSA-N 0 1 412.484 4.216 20 0 HIADMN CC[C@H](NC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1)c1c(C)noc1C 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WDVWOXOTXQOOCJ-UHFFFAOYSA-N 0 1 418.906 4.263 20 0 HIADMN O=C(NCc1ccc(-c2ccccc2)cc1F)NC1CCN(Cc2ccccn2)CC1 ZINC000488162506 902657661 /nfs/dbraw/zinc/65/76/61/902657661.db2.gz CYPMCDDDMASSJF-UHFFFAOYSA-N 0 1 418.516 4.352 20 0 HIADMN Cc1nc(SCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)[nH]c1-c1ccccc1 ZINC000488244424 902719333 /nfs/dbraw/zinc/71/93/33/902719333.db2.gz CURYZSIKGZVMNB-IBGZPJMESA-N 0 1 411.502 4.216 20 0 HIADMN CSc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC000488251648 902725977 /nfs/dbraw/zinc/72/59/77/902725977.db2.gz IVIQFDQSIYVSTC-CYBMUJFWSA-N 0 1 413.948 4.278 20 0 HIADMN O=C(COc1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1)Nc1ccccc1 ZINC000488264212 902734633 /nfs/dbraw/zinc/73/46/33/902734633.db2.gz BBSQOPMWPWLXAZ-UHFFFAOYSA-N 0 1 418.478 4.408 20 0 HIADMN Cc1[nH]c(S[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nc1-c1ccccc1 ZINC000488262951 902734804 /nfs/dbraw/zinc/73/48/04/902734804.db2.gz LOLOPMXGQHGGCU-WIYYLYMNSA-N 0 1 420.582 4.256 20 0 HIADMN 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1 406.452 4.077 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C3CC3)n2)cc1 ZINC000498143838 907665999 /nfs/dbraw/zinc/66/59/99/907665999.db2.gz FPKLUYMFSIXKKG-UHFFFAOYSA-N 0 1 423.494 4.021 20 0 HIADMN CC(C)Oc1cccc(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000498145964 907670545 /nfs/dbraw/zinc/67/05/45/907670545.db2.gz XACZVGMUKNJOSA-UHFFFAOYSA-N 0 1 400.950 4.451 20 0 HIADMN CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)c1ccc2c(c1)OCO2 ZINC000498177597 907708867 /nfs/dbraw/zinc/70/88/67/907708867.db2.gz ATMOVTQBHIOFQT-KRWDZBQOSA-N 0 1 424.545 4.265 20 0 HIADMN COc1ccc(CN(C)C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000512843874 921347746 /nfs/dbraw/zinc/34/77/46/921347746.db2.gz GEJYCDAJNLEIFI-LJQANCHMSA-N 0 1 421.463 4.130 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1cnc(OC2CCCCC2)c(Cl)c1 ZINC000498209107 907740491 /nfs/dbraw/zinc/74/04/91/907740491.db2.gz WPPPKQWZAQSBOX-SFHVURJKSA-N 0 1 411.893 4.084 20 0 HIADMN CN(C)Cc1cc(CNC(=O)N[C@H](c2cccc(F)c2)c2ccccn2)ccc1F 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KSANDNPKOHIJSZ-NHCUHLMSSA-N 0 1 410.558 4.080 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)CCSc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC000498282562 907817040 /nfs/dbraw/zinc/81/70/40/907817040.db2.gz LFEUVYHRPACWBL-ROUUACIJSA-N 0 1 416.562 4.234 20 0 HIADMN C[C@H]1CCc2nc(CNC[C@@H](c3ccc(Cl)cc3)N3CCOCC3)sc2C1 ZINC000498359771 907857375 /nfs/dbraw/zinc/85/73/75/907857375.db2.gz SGOKOYLJBKSNHM-KXBFYZLASA-N 0 1 405.995 4.084 20 0 HIADMN COc1ccc([C@@H](NC(=O)N[C@H](C)c2n[nH]c(C)n2)c2ccccc2Cl)c(C)c1 ZINC000498376613 907867060 /nfs/dbraw/zinc/86/70/60/907867060.db2.gz SBBIFCJLKWJNSX-BFUOFWGJSA-N 0 1 413.909 4.233 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(OC)c(Cl)c3)CCN2C2CC2)c1 ZINC000498388824 907874224 /nfs/dbraw/zinc/87/42/24/907874224.db2.gz PCUPLJKEFQDBMM-PZJWPPBQSA-N 0 1 415.921 4.457 20 0 HIADMN Cc1cc(S(=O)(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c(C)s1 ZINC000498396489 907879274 /nfs/dbraw/zinc/87/92/74/907879274.db2.gz LUZBRTANGWWXRH-UHFFFAOYSA-N 0 1 412.536 4.369 20 0 HIADMN Cc1cccc2nc(CNC(=O)Cc3ccc(OCCOc4ccccc4)cc3)[nH]c21 ZINC000498405430 907885539 /nfs/dbraw/zinc/88/55/39/907885539.db2.gz CFTWZLXKDRTXAB-UHFFFAOYSA-N 0 1 415.493 4.188 20 0 HIADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cc(Cl)ccc3SC(C)C)[nH]c21 ZINC000498447644 907910943 /nfs/dbraw/zinc/91/09/43/907910943.db2.gz QEDDLOWIYSTPQI-UHFFFAOYSA-N 0 1 416.934 4.280 20 0 HIADMN NC(=O)[C@@H](NCC1(c2ccc(F)cc2Cl)CC1)c1ccc(Br)cc1 ZINC000498479815 907949987 /nfs/dbraw/zinc/94/99/87/907949987.db2.gz CGELTGNPWBQTHY-INIZCTEOSA-N 0 1 411.702 4.089 20 0 HIADMN NC(=O)[C@H](NCC1(c2ccc(F)cc2Cl)CC1)c1cccc(Br)c1 ZINC000498483852 907956086 /nfs/dbraw/zinc/95/60/86/907956086.db2.gz KBJYUACSJWFHGA-MRXNPFEDSA-N 0 1 411.702 4.089 20 0 HIADMN COc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1Oc1ccc(C)nn1 ZINC000498506225 907978914 /nfs/dbraw/zinc/97/89/14/907978914.db2.gz CPCSBTXIWGZBPL-UHFFFAOYSA-N 0 1 423.853 4.179 20 0 HIADMN CCC(=O)Nc1ccc(NC(=O)N[C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000498525580 907994962 /nfs/dbraw/zinc/99/49/62/907994962.db2.gz RLIHVFCJTHQJKI-GMAHTHKFSA-N 0 1 422.529 4.143 20 0 HIADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC000498556442 908018630 /nfs/dbraw/zinc/01/86/30/908018630.db2.gz SOEAPCHRIMFBBI-LLVKDONJSA-N 0 1 419.348 4.414 20 0 HIADMN COc1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1OCC(C)C ZINC000512874994 921372518 /nfs/dbraw/zinc/37/25/18/921372518.db2.gz XIIMNHXUJRWGRM-OAQYLSRUSA-N 0 1 422.363 4.490 20 0 HIADMN CCN1C[C@H](C)N(C(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)C[C@@H]1C ZINC000498570187 908028933 /nfs/dbraw/zinc/02/89/33/908028933.db2.gz FAHGBLCGFQPRJU-PMACEKPBSA-N 0 1 422.569 4.342 20 0 HIADMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000498575352 908032761 /nfs/dbraw/zinc/03/27/61/908032761.db2.gz IXSAEZAHMXSYCC-SFHVURJKSA-N 0 1 420.340 4.055 20 0 HIADMN Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)cs1 ZINC000498597297 908046557 /nfs/dbraw/zinc/04/65/57/908046557.db2.gz ASMWSFJYFSXTOV-QHCPKHFHSA-N 0 1 405.567 4.442 20 0 HIADMN CCCCO[C@H](C)C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000498602040 908050988 /nfs/dbraw/zinc/05/09/88/908050988.db2.gz REALGVSKSIHJFG-OAQYLSRUSA-N 0 1 409.574 4.148 20 0 HIADMN CC(C)N1CCc2nc(CN[C@H](CCO)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000512885376 921381093 /nfs/dbraw/zinc/38/10/93/921381093.db2.gz OTHLMPJDNQBOLD-MRXNPFEDSA-N 0 1 414.402 4.430 20 0 HIADMN COc1cc2c(cc1OC)CN(Cc1ccccc1N[C@H](C)CCn1cccn1)CC2 ZINC000498652634 908091125 /nfs/dbraw/zinc/09/11/25/908091125.db2.gz PIGKKGPOGNSHTN-LJQANCHMSA-N 0 1 420.557 4.349 20 0 HIADMN COc1cccc(C2CCN(CC(=O)N(C)Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000498677699 908107347 /nfs/dbraw/zinc/10/73/47/908107347.db2.gz WZNYOGAUFXYCRG-UHFFFAOYSA-N 0 1 418.484 4.135 20 0 HIADMN COc1cccc(C2CCN([C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2)c1 ZINC000498693531 908120958 /nfs/dbraw/zinc/12/09/58/908120958.db2.gz JNISIGNNCBMNBY-SFHVURJKSA-N 0 1 405.542 4.103 20 0 HIADMN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCN(C)CC[C@H]3C)cc12 ZINC000498727967 908156031 /nfs/dbraw/zinc/15/60/31/908156031.db2.gz RWUKUACRCCXWFS-CYBMUJFWSA-N 0 1 402.951 4.215 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)C1(c2ccccc2OC)CC1)N1CCCCC1 ZINC000498732612 908160552 /nfs/dbraw/zinc/16/05/52/908160552.db2.gz CYYQXBWBBOTLQK-OAQYLSRUSA-N 0 1 408.542 4.079 20 0 HIADMN Cn1cc(-c2ncc(CN[C@@H](c3cccc(OC(F)(F)F)c3)C3CC3)cn2)cn1 ZINC000512895168 921389233 /nfs/dbraw/zinc/38/92/33/921389233.db2.gz OKGQDGKNKHOLTB-GOSISDBHSA-N 0 1 403.408 4.017 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccco1 ZINC000498821197 908229199 /nfs/dbraw/zinc/22/91/99/908229199.db2.gz IAOYWDNMQBNKBS-KRWDZBQOSA-N 0 1 419.319 4.017 20 0 HIADMN CC[C@H](NCc1cc(OC)c(O)cc1Br)c1ccc(OC)c(OC)c1 ZINC000512898379 921391539 /nfs/dbraw/zinc/39/15/39/921391539.db2.gz BBGFBHSGFLKXJX-HNNXBMFYSA-N 0 1 410.308 4.421 20 0 HIADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C)c1ccco1 ZINC000498859272 908262984 /nfs/dbraw/zinc/26/29/84/908262984.db2.gz NDPSZEOJPUFMML-HXUWFJFHSA-N 0 1 412.534 4.029 20 0 HIADMN O=C(c1c2c(sc1-n1cccc1)CCC2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498883157 908282096 /nfs/dbraw/zinc/28/20/96/908282096.db2.gz HBZJFDKGBCLTAK-OAHLLOKOSA-N 0 1 407.543 4.043 20 0 HIADMN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@H](c5n[nH]c(C6CC6)n5)C4)cc3c2C1 ZINC000498882962 908282365 /nfs/dbraw/zinc/28/23/65/908282365.db2.gz GQJGAXHRRDPBDX-PBHICJAKSA-N 0 1 403.530 4.308 20 0 HIADMN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c12 ZINC000498882549 908282991 /nfs/dbraw/zinc/28/29/91/908282991.db2.gz YVWXOAGIPYWNSK-OAHLLOKOSA-N 0 1 420.517 4.068 20 0 HIADMN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498888357 908290234 /nfs/dbraw/zinc/29/02/34/908290234.db2.gz ROOYXTMTULBYHX-BPLDGKMQSA-N 0 1 405.329 4.499 20 0 HIADMN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498897626 908303791 /nfs/dbraw/zinc/30/37/91/908303791.db2.gz GAZLCDUFIAHZNJ-SOUVJXGZSA-N 0 1 405.329 4.499 20 0 HIADMN 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4.406 20 0 HIADMN CCOc1ccc(CN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C(C)C)cc1 ZINC000519908420 928141125 /nfs/dbraw/zinc/14/11/25/928141125.db2.gz XTXPRAQIBVEEEV-UHFFFAOYSA-N 0 1 402.510 4.102 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(CN4CCCC4=O)cc3)[nH]c2c1 ZINC000519934904 928170119 /nfs/dbraw/zinc/17/01/19/928170119.db2.gz ZSLBYOOHXNYMNC-NRFANRHFSA-N 0 1 417.513 4.363 20 0 HIADMN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(Cl)cc1 ZINC000519937309 928171969 /nfs/dbraw/zinc/17/19/69/928171969.db2.gz GKZDUCQXOFGDHH-FPOVZHCZSA-N 0 1 424.932 4.456 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCc3nc(-c4ccsc4)no3)[nH]c2c1 ZINC000519936928 928172034 /nfs/dbraw/zinc/17/20/34/928172034.db2.gz ANGKSJKCFXAMCW-QGZVFWFLSA-N 0 1 407.499 4.279 20 0 HIADMN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000519992279 928218103 /nfs/dbraw/zinc/21/81/03/928218103.db2.gz YGVHSXWGNFGOFF-QHCPKHFHSA-N 0 1 416.452 4.390 20 0 HIADMN O=S(=O)(Nc1ccc2c(c1)CCO2)c1ccc(Br)cc1C(F)(F)F ZINC000520018235 928241802 /nfs/dbraw/zinc/24/18/02/928241802.db2.gz FJMVUZURDZLBQV-UHFFFAOYSA-N 0 1 422.222 4.204 20 0 HIADMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000520029336 928251964 /nfs/dbraw/zinc/25/19/64/928251964.db2.gz RNJLDUGSQLTLQT-WBMJQRKESA-N 0 1 404.919 4.265 20 0 HIADMN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000520050447 928275926 /nfs/dbraw/zinc/27/59/26/928275926.db2.gz IKEHMJSBWIUENC-IBGZPJMESA-N 0 1 412.578 4.102 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Oc2ccccc2)N(C)C)cc1 ZINC000520076695 928296153 /nfs/dbraw/zinc/29/61/53/928296153.db2.gz BRTDIXOIJAQFMK-JOCHJYFZSA-N 0 1 417.509 4.145 20 0 HIADMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)cc1 ZINC000520141060 928336863 /nfs/dbraw/zinc/33/68/63/928336863.db2.gz VKLHHGACQZCSPR-MRXNPFEDSA-N 0 1 416.543 4.246 20 0 HIADMN CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000520198020 928383106 /nfs/dbraw/zinc/38/31/06/928383106.db2.gz XSMPUSBTIOKEEX-VGSWGCGISA-N 0 1 401.526 4.100 20 0 HIADMN CCCN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000520202197 928386527 /nfs/dbraw/zinc/38/65/27/928386527.db2.gz NRHOICUUUQHQLT-HXUWFJFHSA-N 0 1 417.525 4.067 20 0 HIADMN O[C@@H](CNCc1cc(Br)ccc1F)COc1ccc(C(F)(F)F)cc1 ZINC000520216391 928395891 /nfs/dbraw/zinc/39/58/91/928395891.db2.gz BADZQIRYUXMING-AWEZNQCLSA-N 0 1 422.216 4.137 20 0 HIADMN COc1ccc(CC(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)cc1OC ZINC000520237895 928406811 /nfs/dbraw/zinc/40/68/11/928406811.db2.gz IAMPIIYQFSZODA-HXUWFJFHSA-N 0 1 416.949 4.071 20 0 HIADMN CC1(C)Cc2cccc(OCC(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)c2O1 ZINC000520261348 928425153 /nfs/dbraw/zinc/42/51/53/928425153.db2.gz CRNNXDSEUARNFZ-IBGZPJMESA-N 0 1 407.470 4.145 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)no2)cc1 ZINC000520274145 928439407 /nfs/dbraw/zinc/43/94/07/928439407.db2.gz YRHYPMNISKLZKF-UHFFFAOYSA-N 0 1 421.478 4.137 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(OC[C@H]4CCCO4)c3)[nH]c2c1 ZINC000520309432 928470265 /nfs/dbraw/zinc/47/02/65/928470265.db2.gz FYLUXXLOMIZGPQ-DENIHFKCSA-N 0 1 405.498 4.406 20 0 HIADMN CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1)c1ccc(C)cc1 ZINC000520309550 928471742 /nfs/dbraw/zinc/47/17/42/928471742.db2.gz QDEQYKOOCJTMKF-IFMALSPDSA-N 0 1 404.514 4.111 20 0 HIADMN CCN1CCCN(C(=O)c2cc(Br)ccc2OCc2ccccc2)CC1 ZINC000520361298 928519639 /nfs/dbraw/zinc/51/96/39/928519639.db2.gz RXXJVWXLHAUAIE-UHFFFAOYSA-N 0 1 417.347 4.196 20 0 HIADMN CCc1ccc(-c2nc(C=C(O)Nc3nc(-c4ccccc4)ns3)cs2)cc1 ZINC000520406730 928550667 /nfs/dbraw/zinc/55/06/67/928550667.db2.gz NYKYZTYWKDWJKW-UHFFFAOYSA-N 0 1 406.536 4.494 20 0 HIADMN COc1cccc([C@H](CNC(=O)Nc2ccc(Oc3ncccn3)cc2C)N(C)C)c1 ZINC000520464367 928581260 /nfs/dbraw/zinc/58/12/60/928581260.db2.gz SRVJKLOFGOMWIW-NRFANRHFSA-N 0 1 421.501 4.010 20 0 HIADMN O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CCCN(Cc2ccccc2)CC1 ZINC000520480824 928592118 /nfs/dbraw/zinc/59/21/18/928592118.db2.gz HIHMHAMYIHGPLO-UHFFFAOYSA-N 0 1 423.557 4.150 20 0 HIADMN CCN(CC)[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1)c1ccccc1 ZINC000520551433 928635841 /nfs/dbraw/zinc/63/58/41/928635841.db2.gz AZDVJLDEMJSJKT-XMSQKQJNSA-N 0 1 419.529 4.104 20 0 HIADMN CN(Cc1ccc(Br)s1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000520564117 928643132 /nfs/dbraw/zinc/64/31/32/928643132.db2.gz WRBSWZSHWIKDRP-GFCCVEGCSA-N 0 1 424.282 4.401 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2C)c1 ZINC000520563984 928643417 /nfs/dbraw/zinc/64/34/17/928643417.db2.gz NNSYLFCWFSBOEM-DYVFJYSZSA-N 0 1 422.934 4.068 20 0 HIADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000520566358 928645247 /nfs/dbraw/zinc/64/52/47/928645247.db2.gz SBGLJTKLPGUFIE-HNNXBMFYSA-N 0 1 400.438 4.112 20 0 HIADMN CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000520615062 928674405 /nfs/dbraw/zinc/67/44/05/928674405.db2.gz HRALWNUQWGUORV-NRFANRHFSA-N 0 1 403.530 4.382 20 0 HIADMN C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000520646306 928697741 /nfs/dbraw/zinc/69/77/41/928697741.db2.gz RFWWGUVNHAZXJQ-CDHQVMDDSA-N 0 1 402.460 4.372 20 0 HIADMN C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000520646309 928697960 /nfs/dbraw/zinc/69/79/60/928697960.db2.gz RFWWGUVNHAZXJQ-YSGRDPCXSA-N 0 1 402.460 4.372 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520675673 928721411 /nfs/dbraw/zinc/72/14/11/928721411.db2.gz ZLCYZGGTECBFMV-XLNTUCKNSA-N 0 1 423.960 4.071 20 0 HIADMN CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000520688286 928735705 /nfs/dbraw/zinc/73/57/05/928735705.db2.gz GYHOTNASMYSLEM-LJQANCHMSA-N 0 1 408.502 4.078 20 0 HIADMN CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000520688286 928735720 /nfs/dbraw/zinc/73/57/20/928735720.db2.gz GYHOTNASMYSLEM-LJQANCHMSA-N 0 1 408.502 4.078 20 0 HIADMN CC(C)COc1ccc(CC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000520734586 928783727 /nfs/dbraw/zinc/78/37/27/928783727.db2.gz JBPPSGCNJXIWQH-UHFFFAOYSA-N 0 1 418.541 4.455 20 0 HIADMN Cc1cccc(OCCNC(=O)[C@@H](C)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000520741008 928789397 /nfs/dbraw/zinc/78/93/97/928789397.db2.gz HCZGLIIVKPPIQS-DNVCBOLYSA-N 0 1 404.963 4.359 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccco1 ZINC000520893166 928862666 /nfs/dbraw/zinc/86/26/66/928862666.db2.gz VNKALHIIJXQHTE-INIZCTEOSA-N 0 1 401.404 4.320 20 0 HIADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000520934856 928881475 /nfs/dbraw/zinc/88/14/75/928881475.db2.gz LZORFMYWGUCLGN-XJKSGUPXSA-N 0 1 410.381 4.044 20 0 HIADMN C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000520934854 928881728 /nfs/dbraw/zinc/88/17/28/928881728.db2.gz LZORFMYWGUCLGN-CJNGLKHVSA-N 0 1 410.381 4.044 20 0 HIADMN CCOc1cc(CN[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc(Cl)c1OC ZINC000520973217 928898026 /nfs/dbraw/zinc/89/80/26/928898026.db2.gz QDRVVIPMLJZAAS-AWEZNQCLSA-N 0 1 409.313 4.296 20 0 HIADMN CCN(CC)[C@H](C(=O)Nc1ccc(N2CCOCC2)c2ccncc12)c1ccccc1 ZINC000520976737 928898548 /nfs/dbraw/zinc/89/85/48/928898548.db2.gz XKLYTCIFHOJTGF-DEOSSOPVSA-N 0 1 418.541 4.093 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](Nc3ccccc3)C2)N2CCCCC2)cc1 ZINC000520985869 928905020 /nfs/dbraw/zinc/90/50/20/928905020.db2.gz BEUDGPFPCHXOBR-UPVQGACJSA-N 0 1 422.573 4.118 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)[nH]n1 ZINC000521137466 929018044 /nfs/dbraw/zinc/01/80/44/929018044.db2.gz SEMYMTMQSBAFDX-UHFFFAOYSA-N 0 1 412.906 4.456 20 0 HIADMN CCOc1cc(CN(C)C(=O)[C@@H](C)N2CCc3ccccc3C2)ccc1OC(F)F ZINC000521163774 929036874 /nfs/dbraw/zinc/03/68/74/929036874.db2.gz AHPWEQVNMPGRNB-MRXNPFEDSA-N 0 1 418.484 4.092 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccc(N2CCc3ccccc3C2)cc1)c1ccsc1 ZINC000521173450 929043200 /nfs/dbraw/zinc/04/32/00/929043200.db2.gz NBUIOMMEMCHKGC-HSZRJFAPSA-N 0 1 405.567 4.344 20 0 HIADMN O[C@H](COCc1cccs1)CN(Cc1cc(Br)ccc1F)C1CC1 ZINC000521187272 929050579 /nfs/dbraw/zinc/05/05/79/929050579.db2.gz GZBXJVOMWRZMQR-INIZCTEOSA-N 0 1 414.340 4.192 20 0 HIADMN COc1cccc(Oc2ccc(NC(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000521190156 929052324 /nfs/dbraw/zinc/05/23/24/929052324.db2.gz MPDXTMNPWWNYQW-HDICACEKSA-N 0 1 413.518 4.108 20 0 HIADMN CCCN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000521192607 929053597 /nfs/dbraw/zinc/05/35/97/929053597.db2.gz GKDWUEFNPPQMGT-NRFANRHFSA-N 0 1 413.949 4.136 20 0 HIADMN Cc1ccc(C)n1-c1nc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)cs1 ZINC000521208526 929061920 /nfs/dbraw/zinc/06/19/20/929061920.db2.gz ABFCKKDNASVGDM-UHFFFAOYSA-N 0 1 412.906 4.170 20 0 HIADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000521332981 929148994 /nfs/dbraw/zinc/14/89/94/929148994.db2.gz VRJKZLZIKMCBKK-UHFFFAOYSA-N 0 1 406.417 4.164 20 0 HIADMN CC(=O)c1cccc(OC[C@@H](O)CN2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000521348525 929166305 /nfs/dbraw/zinc/16/63/05/929166305.db2.gz PGBVWWZJQUESMW-JYFHCDHNSA-N 0 1 401.506 4.277 20 0 HIADMN C[C@H](Cc1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000521355142 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1 412.599 4.128 20 0 HIADMN CC[C@@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1c(C)noc1C ZINC000543334059 940034760 /nfs/dbraw/zinc/03/47/60/940034760.db2.gz AXERRFMBDUGLTP-QZTJIDSGSA-N 0 1 408.506 4.117 20 0 HIADMN CC(C)(CNC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)Oc1ccccc1 ZINC000543341357 940036281 /nfs/dbraw/zinc/03/62/81/940036281.db2.gz OSSNACCOWRRRME-IBGZPJMESA-N 0 1 419.529 4.218 20 0 HIADMN CS[C@H](CNC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)C(C)(C)C ZINC000543344754 940036685 /nfs/dbraw/zinc/03/66/85/940036685.db2.gz ZBPJQNISJFOJPQ-DLBZAZTESA-N 0 1 401.580 4.138 20 0 HIADMN Cc1nc(C)c(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)s1 ZINC000543345295 940036772 /nfs/dbraw/zinc/03/67/72/940036772.db2.gz OMVDDTHZQJSPHR-MRXNPFEDSA-N 0 1 402.568 4.015 20 0 HIADMN CCCc1c(NC(=O)NC[C@H](c2ccsc2)N(C)C)cnn1-c1cccc(F)c1 ZINC000543363617 940042634 /nfs/dbraw/zinc/04/26/34/940042634.db2.gz RBFOKQKJMYTVMS-HXUWFJFHSA-N 0 1 415.538 4.450 20 0 HIADMN CC1(C)CN(C2(CN[C@@H](c3ccc(F)cc3)c3cnccn3)CCCCC2)CCO1 ZINC000543401820 940052285 /nfs/dbraw/zinc/05/22/85/940052285.db2.gz TWBRWNQNYZGULN-QFIPXVFZSA-N 0 1 412.553 4.108 20 0 HIADMN COC(=O)COc1ccccc1[C@@H](C)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000543403382 940052969 /nfs/dbraw/zinc/05/29/69/940052969.db2.gz CXBVSOGIDJGJIT-QGZVFWFLSA-N 0 1 410.514 4.218 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000543404893 940054085 /nfs/dbraw/zinc/05/40/85/940054085.db2.gz QZQLQXPPDFBNTD-HLLBOEOZSA-N 0 1 422.357 4.111 20 0 HIADMN Cc1ccc([C@@H](CN[C@@H](c2ccc(F)cc2)c2ccccn2)N2CCOCC2)cc1 ZINC000543407160 940055370 /nfs/dbraw/zinc/05/53/70/940055370.db2.gz OOCJNIKSXMTWPY-RPBOFIJWSA-N 0 1 405.517 4.282 20 0 HIADMN COc1cc(CN[C@@H]2CCCN(c3cccnc3)C2=O)ccc1OCc1cccs1 ZINC000543410411 940056629 /nfs/dbraw/zinc/05/66/29/940056629.db2.gz PXPYVFMRCIUUAP-HXUWFJFHSA-N 0 1 423.538 4.016 20 0 HIADMN O=C(CN1CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1)Nc1ccccc1 ZINC000543409882 940056704 /nfs/dbraw/zinc/05/67/04/940056704.db2.gz QGLQCMKYQJQBMA-VWLOTQADSA-N 0 1 418.516 4.003 20 0 HIADMN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(-c2cn[nH]n2)c1 ZINC000543444803 940065698 /nfs/dbraw/zinc/06/56/98/940065698.db2.gz WABQNZDAAAJJNG-UHFFFAOYSA-N 0 1 408.849 4.137 20 0 HIADMN COc1cccc(C[C@@H](C)NCc2ncc(Br)cc2Br)c1 ZINC000543446733 940065906 /nfs/dbraw/zinc/06/59/06/940065906.db2.gz NOKAGRLKRAZUMT-LLVKDONJSA-N 0 1 414.141 4.336 20 0 HIADMN CC[C@H](NCC(=O)NCCC(c1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000543457398 940068347 /nfs/dbraw/zinc/06/83/47/940068347.db2.gz KEVGNAPUKKPMRB-DEOSSOPVSA-N 0 1 418.585 4.416 20 0 HIADMN CC[C@H](N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)C(=O)Nc1ccc(OC)cc1 ZINC000543458703 940068665 /nfs/dbraw/zinc/06/86/65/940068665.db2.gz FYDMTFXNFPUFEP-PXAZEXFGSA-N 0 1 412.456 4.139 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1c(C)cccc1Cl ZINC000543458478 940069013 /nfs/dbraw/zinc/06/90/13/940069013.db2.gz FJOWUEDIUMQVBN-NSHDSACASA-N 0 1 402.848 4.313 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000543459586 940069484 /nfs/dbraw/zinc/06/94/84/940069484.db2.gz FILSHBJYLNHQMA-JTQLQIEISA-N 0 1 418.847 4.014 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000543460218 940069957 /nfs/dbraw/zinc/06/99/57/940069957.db2.gz LJXDYFHYMIFXFA-PXAZEXFGSA-N 0 1 412.431 4.048 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1cc(Cl)ccc1C ZINC000543460783 940070704 /nfs/dbraw/zinc/07/07/04/940070704.db2.gz PZXUNVAXZBUHEA-NSHDSACASA-N 0 1 402.848 4.313 20 0 HIADMN CC(C)[C@@H](NCC[S@](=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000543472661 940075318 /nfs/dbraw/zinc/07/53/18/940075318.db2.gz YZOZHAVTTVFOKT-QUGAMOGWSA-N 0 1 411.358 4.131 20 0 HIADMN COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000543472934 940075794 /nfs/dbraw/zinc/07/57/94/940075794.db2.gz PQSZDPVQUHOAPT-IAGOWNOFSA-N 0 1 424.520 4.199 20 0 HIADMN CC[C@@H](N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C)C(=O)Nc1ccc(OC)cc1 ZINC000543475793 940076674 /nfs/dbraw/zinc/07/66/74/940076674.db2.gz ZYIAJEWVTDCSEL-OYHNWAKOSA-N 0 1 410.493 4.396 20 0 HIADMN CC(C)n1cc([C@H](C)NCC(=O)NCc2ccccc2COc2ccccc2)cn1 ZINC000543502795 940087611 /nfs/dbraw/zinc/08/76/11/940087611.db2.gz JVDYMWATFQHGDO-IBGZPJMESA-N 0 1 406.530 4.010 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000543517571 940093549 /nfs/dbraw/zinc/09/35/49/940093549.db2.gz ISPRENRVANVOHQ-OAHLLOKOSA-N 0 1 422.554 4.110 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)NCCOc1cccc(F)c1 ZINC000543519542 940094496 /nfs/dbraw/zinc/09/44/96/940094496.db2.gz ZNKXQCUECJMOHV-HNNXBMFYSA-N 0 1 413.518 4.103 20 0 HIADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC4(CCOCC4)[C@@H]3C)n2)cc1 ZINC000543578135 940116995 /nfs/dbraw/zinc/11/69/95/940116995.db2.gz WFJNJQNARXSNGS-CVEARBPZSA-N 0 1 415.559 4.037 20 0 HIADMN COCc1cc(CN[C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)ccc1F ZINC000543593614 940123693 /nfs/dbraw/zinc/12/36/93/940123693.db2.gz JTKWNINFVUYCHL-VXKWHMMOSA-N 0 1 405.535 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ZINC000563780840 945300566 /nfs/dbraw/zinc/30/05/66/945300566.db2.gz PAKHZVJZIZVXJM-UHFFFAOYSA-N 0 1 400.219 4.127 20 0 HIADMN CSC[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000543775389 940182726 /nfs/dbraw/zinc/18/27/26/940182726.db2.gz KIPJHUOPTJIUQY-KRWDZBQOSA-N 0 1 418.506 4.271 20 0 HIADMN CCCN1Cc2cccc(NS(=O)(=O)c3ccc(Br)c(F)c3)c2C1 ZINC000543794716 940189049 /nfs/dbraw/zinc/18/90/49/940189049.db2.gz XWYVGRRWUOJFGX-UHFFFAOYSA-N 0 1 413.312 4.115 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C[C@@H]1CCc2ccccc2C1 ZINC000543813382 940194988 /nfs/dbraw/zinc/19/49/88/940194988.db2.gz NAFZUGRMCNIOKA-XLIONFOSSA-N 0 1 407.480 4.241 20 0 HIADMN CC(C)[C@@H]1C[C@H](CC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CCO1 ZINC000543818008 940196966 /nfs/dbraw/zinc/19/69/66/940196966.db2.gz ODQADIGZYQAFCD-WEZICIFLSA-N 0 1 410.961 4.429 20 0 HIADMN CCc1ccc([C@@H](NC(=O)CN[C@H](CO)c2ccccc2C)c2cccs2)cc1 ZINC000543837433 940204733 /nfs/dbraw/zinc/20/47/33/940204733.db2.gz BRZXKIKTWRNFLL-ZJSXRUAMSA-N 0 1 408.567 4.148 20 0 HIADMN C[C@H](CNCc1ncc(Br)s1)Oc1cccc(Br)c1 ZINC000543849860 940208328 /nfs/dbraw/zinc/20/83/28/940208328.db2.gz BVGVTDSKXKZACV-SECBINFHSA-N 0 1 406.143 4.225 20 0 HIADMN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000543861529 940214255 /nfs/dbraw/zinc/21/42/55/940214255.db2.gz PHUMZNUSWJWVLN-UHFFFAOYSA-N 0 1 412.496 4.027 20 0 HIADMN COc1ccc(C(=O)N2CCCCCC2)cc1NC1CCN(Cc2ccncc2)CC1 ZINC000543877226 940221576 /nfs/dbraw/zinc/22/15/76/940221576.db2.gz RONRIABZUCBYGR-UHFFFAOYSA-N 0 1 422.573 4.183 20 0 HIADMN Cc1nc(-c2cccc(NC(=O)CN[C@H](C)c3ccc([S@@](C)=O)cc3)c2)cs1 ZINC000543907205 940236617 /nfs/dbraw/zinc/23/66/17/940236617.db2.gz XMTSKVGLUPEVKS-GMYLUUGSSA-N 0 1 413.568 4.145 20 0 HIADMN CC(C)OC(=O)C[C@H](NCC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000543979605 940280967 /nfs/dbraw/zinc/28/09/67/940280967.db2.gz WYXPMHVFHYEECG-UTKZUKDTSA-N 0 1 400.494 4.018 20 0 HIADMN CC(C)OC(=O)C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000543979917 940281060 /nfs/dbraw/zinc/28/10/60/940281060.db2.gz ZMDSOHXQGROXKL-HRAATJIYSA-N 0 1 418.484 4.157 20 0 HIADMN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N[C@@H](C)c1cccnc1)C[C@H](C)CC2 ZINC000543980007 940281851 /nfs/dbraw/zinc/28/18/51/940281851.db2.gz CGOVKDNHFAPREX-QLFBSQMISA-N 0 1 415.559 4.122 20 0 HIADMN CCc1cnccc1[C@@H](C)NCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000543980607 940282336 /nfs/dbraw/zinc/28/23/36/940282336.db2.gz IKFXYRMEEOCHHH-OAHLLOKOSA-N 0 1 408.527 4.247 20 0 HIADMN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](C)c1cccc(F)c1F ZINC000544003957 940293897 /nfs/dbraw/zinc/29/38/97/940293897.db2.gz LLRORHYPPQFLBI-KBPBESRZSA-N 0 1 401.457 4.381 20 0 HIADMN CC(C)Cn1cc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cn1 ZINC000544017142 940300875 /nfs/dbraw/zinc/30/08/75/940300875.db2.gz YJWGOHKOMLKOLX-UHFFFAOYSA-N 0 1 419.367 4.152 20 0 HIADMN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000544048385 940310535 /nfs/dbraw/zinc/31/05/35/940310535.db2.gz 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Cc1cccc([C@H](N[C@@H](C)Cn2cc(Br)ccc2=O)c2ccccn2)c1 ZINC000551307691 941448248 /nfs/dbraw/zinc/44/82/48/941448248.db2.gz VFNBYHNHPQULIN-KKSFZXQISA-N 0 1 412.331 4.082 20 0 HIADMN Cn1c2ccccc2nc1-c1ccc([N-]S(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000551383885 941466140 /nfs/dbraw/zinc/46/61/40/941466140.db2.gz KGTIJPAGVIDPSJ-UHFFFAOYSA-N 0 1 420.538 4.103 20 0 HIADMN COc1ccccc1-c1ccc(CN(C[C@H]2CCCS(=O)(=O)C2)C(C)C)cc1 ZINC000551387126 941466997 /nfs/dbraw/zinc/46/69/97/941466997.db2.gz RXUGUVVWHKNOSC-HXUWFJFHSA-N 0 1 401.572 4.397 20 0 HIADMN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cn2)C1)C1CCCC1 ZINC000551396780 941469371 /nfs/dbraw/zinc/46/93/71/941469371.db2.gz ZBDBAFAQBBPDIQ-OAHLLOKOSA-N 0 1 421.467 4.332 20 0 HIADMN C[C@H](NC(=O)[C@H](C)N1CCN(C)[C@H](Cc2ccccc2)C1)c1ccc2ccccc2c1 ZINC000551404352 941470544 /nfs/dbraw/zinc/47/05/44/941470544.db2.gz XUJNVKLVYSQUAH-ISJBWFOZSA-N 0 1 415.581 4.264 20 0 HIADMN CC[C@@H](NC(=O)CN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1)c1ccc(Cl)cc1 ZINC000551411013 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415.896 4.332 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(CSC)cc1 ZINC000552002681 941566118 /nfs/dbraw/zinc/56/61/18/941566118.db2.gz AAMFMESPOVGYRO-NRFANRHFSA-N 0 1 423.582 4.403 20 0 HIADMN COc1cccc(Oc2ncccc2CN[C@H](C)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000552045017 941573115 /nfs/dbraw/zinc/57/31/15/941573115.db2.gz VZYBXSAQBACWBP-OAHLLOKOSA-N 0 1 405.454 4.064 20 0 HIADMN C[C@H](NCc1ccncc1OCc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000552087085 941582114 /nfs/dbraw/zinc/58/21/14/941582114.db2.gz ZZLLCCXHKIWBNZ-FQEVSTJZSA-N 0 1 403.526 4.348 20 0 HIADMN CNC(=O)COc1cccc(CN[C@@H](C)c2cc3cc(Br)ccc3o2)c1 ZINC000552089177 941582692 /nfs/dbraw/zinc/58/26/92/941582692.db2.gz CBJWPQABKVSAMB-ZDUSSCGKSA-N 0 1 417.303 4.171 20 0 HIADMN CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@H](c1cccnc1)C(C)(C)CO ZINC000552103420 941585900 /nfs/dbraw/zinc/58/59/00/941585900.db2.gz RPJXHEOAKFKRFG-HSZRJFAPSA-N 0 1 406.574 4.473 20 0 HIADMN CC(C)CN1Cc2cccc(NC(=O)[C@](C)(O)CSc3cccc(F)c3)c2C1 ZINC000552115441 941587986 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CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC1(c2ccccc2)CCCC1 ZINC000438654324 864096374 /nfs/dbraw/zinc/09/63/74/864096374.db2.gz HMODGADQGOPTTF-UHFFFAOYSA-N 0 1 422.573 4.428 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1c(F)cc(Br)cc1F)c1ccsc1 ZINC000438656222 864100536 /nfs/dbraw/zinc/10/05/36/864100536.db2.gz MVVBKBFQOCCLQQ-CYBMUJFWSA-N 0 1 404.280 4.213 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000438660678 864109237 /nfs/dbraw/zinc/10/92/37/864109237.db2.gz KOVVZJPCBSRTJX-JOCHJYFZSA-N 0 1 422.573 4.076 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC2(CCCCC2)CC1 ZINC000438666210 864118361 /nfs/dbraw/zinc/11/83/61/864118361.db2.gz GRRVRZDJTGZNTO-UHFFFAOYSA-N 0 1 414.594 4.415 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000438666318 864119551 /nfs/dbraw/zinc/11/95/51/864119551.db2.gz TVEGHORSYOLSFG-FQEVSTJZSA-N 0 1 414.575 4.268 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000438669198 864127877 /nfs/dbraw/zinc/12/78/77/864127877.db2.gz RCKANNWTFFJPHN-FQEVSTJZSA-N 0 1 422.573 4.079 20 0 HIADMN Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)ccc2C)c1 ZINC000438674587 864134631 /nfs/dbraw/zinc/13/46/31/864134631.db2.gz XQFGRXNKKORPEL-FQEVSTJZSA-N 0 1 424.545 4.067 20 0 HIADMN O=S(=O)(Nc1ccc(F)cc1OC(F)F)c1ccc(Br)c(F)c1 ZINC000438769957 864266038 /nfs/dbraw/zinc/26/60/38/864266038.db2.gz GPRGVZFLUZIXGA-UHFFFAOYSA-N 0 1 414.174 4.130 20 0 HIADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc(Oc4ccc(Cl)cn4)cc3)cc12 ZINC000438773496 864268106 /nfs/dbraw/zinc/26/81/06/864268106.db2.gz MZMCWEKDLBFBHR-UHFFFAOYSA-N 0 1 416.846 4.173 20 0 HIADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1 ZINC000438775682 864269813 /nfs/dbraw/zinc/26/98/13/864269813.db2.gz XTXRZEQQGCZPKH-UHFFFAOYSA-N 0 1 413.499 4.500 20 0 HIADMN Cc1oc2ccccc2c1CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000467884949 881746845 /nfs/dbraw/zinc/74/68/45/881746845.db2.gz BCOVUSGPRXEMCE-INIZCTEOSA-N 0 1 424.520 4.193 20 0 HIADMN Cc1c(F)cccc1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000438786751 864280214 /nfs/dbraw/zinc/28/02/14/864280214.db2.gz YYYYSUSWKGPYSY-UHFFFAOYSA-N 0 1 409.427 4.304 20 0 HIADMN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3Cl)ccc2o1 ZINC000438802109 864292788 /nfs/dbraw/zinc/29/27/88/864292788.db2.gz UWMDSQQOWSCBIL-UHFFFAOYSA-N 0 1 421.862 4.014 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(F)cc3F)c2C1 ZINC000438816468 864308793 /nfs/dbraw/zinc/30/87/93/864308793.db2.gz ZRDKMKFNEDIYBP-LSDHHAIUSA-N 0 1 415.484 4.141 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000438841229 864334594 /nfs/dbraw/zinc/33/45/94/864334594.db2.gz KSMSGXHAMAZQTM-CTUHWIOQSA-N 0 1 422.573 4.044 20 0 HIADMN CCc1ccc(C(C)(C)CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438842330 864336940 /nfs/dbraw/zinc/33/69/40/864336940.db2.gz OVSIIUAGRRARKD-IBGZPJMESA-N 0 1 408.590 4.446 20 0 HIADMN CN(C)C(=O)c1ccc(NC2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000438856863 864351328 /nfs/dbraw/zinc/35/13/28/864351328.db2.gz MLKJQOYIULTGSO-UHFFFAOYSA-N 0 1 416.363 4.227 20 0 HIADMN CCCOc1cc(C)ccc1CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438869218 864362838 /nfs/dbraw/zinc/36/28/38/864362838.db2.gz RIISVZKNACICMG-LJQANCHMSA-N 0 1 410.562 4.204 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)N2CCCC2)c1 ZINC000438910248 864388634 /nfs/dbraw/zinc/38/86/34/864388634.db2.gz GRXTYYTZONJDHY-RMTZWNOUSA-N 0 1 404.554 4.243 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)N2CCCC2)c1 ZINC000438910243 864389270 /nfs/dbraw/zinc/38/92/70/864389270.db2.gz GRXTYYTZONJDHY-KYPHJKQUSA-N 0 1 404.554 4.243 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000438983312 864446480 /nfs/dbraw/zinc/44/64/80/864446480.db2.gz BDPMFHNSJGOUNS-UWJYYQICSA-N 0 1 412.530 4.371 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1cccc(COC2CCOCC2)c1 ZINC000439003117 864457262 /nfs/dbraw/zinc/45/72/62/864457262.db2.gz OWPIUBVOLFPVSX-KRWDZBQOSA-N 0 1 412.530 4.200 20 0 HIADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000439009884 864461664 /nfs/dbraw/zinc/46/16/64/864461664.db2.gz MSDDMVDYKLMBCR-SFHVURJKSA-N 0 1 405.458 4.478 20 0 HIADMN CC(C)(C)n1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c(-c2ccccc2Cl)n1 ZINC000439023176 864477564 /nfs/dbraw/zinc/47/75/64/864477564.db2.gz UULBYZOBAXVQSZ-UHFFFAOYSA-N 0 1 421.892 4.391 20 0 HIADMN C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)O1 ZINC000439070406 864523947 /nfs/dbraw/zinc/52/39/47/864523947.db2.gz MJZMTALXYJNUSR-OFVILXPXSA-N 0 1 421.585 4.291 20 0 HIADMN Brc1ccc([C@H]([NH2+]Cc2nnc(COc3ccccc3)[n-]2)C2CC2)s1 ZINC000439143456 864575079 /nfs/dbraw/zinc/57/50/79/864575079.db2.gz URCPWAOZFPMTQT-GOSISDBHSA-N 0 1 419.348 4.449 20 0 HIADMN C[C@H](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cc(F)ccc1N1CCN(C)CC1 ZINC000439156907 864588084 /nfs/dbraw/zinc/58/80/84/864588084.db2.gz SGAPPLWKTYREAN-RNHNHXFSSA-N 0 1 421.560 4.049 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)n[nH]1 ZINC000439175200 864602849 /nfs/dbraw/zinc/60/28/49/864602849.db2.gz FBRQOUZSZFZYOE-FQEVSTJZSA-N 0 1 405.546 4.302 20 0 HIADMN CO[C@H](C)c1nc(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cs1 ZINC000439177284 864606232 /nfs/dbraw/zinc/60/62/32/864606232.db2.gz KSLKCYYSXHXEMW-RDTXWAMCSA-N 0 1 422.982 4.140 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000439193705 864619193 /nfs/dbraw/zinc/61/91/93/864619193.db2.gz SJPXRKOBMKUBOQ-WZONZLPQSA-N 0 1 410.537 4.163 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000439195562 864621467 /nfs/dbraw/zinc/62/14/67/864621467.db2.gz ASAAZQRVHUPEKK-YADARESESA-N 0 1 415.541 4.091 20 0 HIADMN COc1ccccc1C[C@@H]1CCCN1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439196722 864622896 /nfs/dbraw/zinc/62/28/96/864622896.db2.gz FVVXBLKEMNBVNW-CVDCTZTESA-N 0 1 422.573 4.032 20 0 HIADMN CC(C)([C@@H](NC(=O)c1cn2ccnc2s1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000467915191 881785511 /nfs/dbraw/zinc/78/55/11/881785511.db2.gz BQONARUKJZVQFG-KRWDZBQOSA-N 0 1 404.486 4.020 20 0 HIADMN Cc1ccc(OC2CCN(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)CC2)cc1 ZINC000439201056 864626272 /nfs/dbraw/zinc/62/62/72/864626272.db2.gz JKIRBWFHJCSLKY-HXUWFJFHSA-N 0 1 422.573 4.168 20 0 HIADMN CCN(Cc1ccc(Cl)cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439203291 864627956 /nfs/dbraw/zinc/62/79/56/864627956.db2.gz XNFDAEDGIGGCEW-KRWDZBQOSA-N 0 1 400.954 4.492 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000439204909 864629388 /nfs/dbraw/zinc/62/93/88/864629388.db2.gz RVWFKDJDLPUWHQ-UEXGIBASSA-N 0 1 410.537 4.334 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000439211109 864632933 /nfs/dbraw/zinc/63/29/33/864632933.db2.gz NBRCEKDSSIAEGB-ICSRJNTNSA-N 0 1 410.537 4.020 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000439214290 864634646 /nfs/dbraw/zinc/63/46/46/864634646.db2.gz SHRIXBWVYCOZJX-WOJBJXKFSA-N 0 1 424.614 4.431 20 0 HIADMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1ccccc1 ZINC000439256811 864673833 /nfs/dbraw/zinc/67/38/33/864673833.db2.gz IBFGLSWWFLYGNU-RUZDIDTESA-N 0 1 409.574 4.197 20 0 HIADMN CC[C@@](C)(O)CN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1 ZINC000439257211 864674057 /nfs/dbraw/zinc/67/40/57/864674057.db2.gz IVWUQYHXIBVULB-RUZDIDTESA-N 0 1 420.557 4.091 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)NCc1csc([C@H](C)OC)n1)c1ccccc1Cl ZINC000439259606 864677778 /nfs/dbraw/zinc/67/77/78/864677778.db2.gz PYTMYKGZYUHPJE-KSSFIOAISA-N 0 1 424.998 4.386 20 0 HIADMN C[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000439288783 864711853 /nfs/dbraw/zinc/71/18/53/864711853.db2.gz YULIMGCZQSKLMN-ZBEGNZNMSA-N 0 1 423.826 4.183 20 0 HIADMN CC[C@@H](C)c1ccc(-c2csc(NC(=O)CN(C)[C@H]3CC[C@H](O)CC3)n2)cc1 ZINC000439307113 864734835 /nfs/dbraw/zinc/73/48/35/864734835.db2.gz ZVGMWQUHNLITTD-ATZDWAIDSA-N 0 1 401.576 4.497 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccccc2OCC(F)(F)F)CC1 ZINC000439307272 864735480 /nfs/dbraw/zinc/73/54/80/864735480.db2.gz WNEGFWHOBGGCHW-OAHLLOKOSA-N 0 1 422.451 4.370 20 0 HIADMN CC(=O)c1cccc(OC[C@H](O)CN2CCC(F)(c3cccc(Cl)c3)CC2)c1 ZINC000439330017 864768723 /nfs/dbraw/zinc/76/87/23/864768723.db2.gz VXHQNTQIRHWIAB-HXUWFJFHSA-N 0 1 405.897 4.243 20 0 HIADMN Cc1cnc(-c2cccc(NC(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)c2)o1 ZINC000439388601 864814661 /nfs/dbraw/zinc/81/46/61/864814661.db2.gz SJMYUOOFWZTMQY-KRWDZBQOSA-N 0 1 405.502 4.392 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000439395715 864817569 /nfs/dbraw/zinc/81/75/69/864817569.db2.gz JVAAJNLGTTWDFH-CYBMUJFWSA-N 0 1 408.424 4.169 20 0 HIADMN Cc1ccnc(-c2cccc(NC(=O)NC3CCN([C@H](C)c4ccncc4)CC3)c2)n1 ZINC000439396192 864817818 /nfs/dbraw/zinc/81/78/18/864817818.db2.gz LONNMUHSIHKTKZ-GOSISDBHSA-N 0 1 416.529 4.194 20 0 HIADMN Cc1ncc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c(C2CC2)n1 ZINC000439401831 864819880 /nfs/dbraw/zinc/81/98/80/864819880.db2.gz IVTOCDROHMHFAB-KRWDZBQOSA-N 0 1 407.440 4.106 20 0 HIADMN 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ZINC000446684139 870598098 /nfs/dbraw/zinc/59/80/98/870598098.db2.gz QNXKPVNTRULLQS-SUNYJGFJSA-N 0 1 417.435 4.404 20 0 HIADMN Cc1cc2cc(NC(=O)C(=O)Nc3cccc4c3CN([C@@H](C)C(C)C)C4)ccc2[nH]1 ZINC000446704891 870618204 /nfs/dbraw/zinc/61/82/04/870618204.db2.gz GCWMQKDSLPEJBP-INIZCTEOSA-N 0 1 404.514 4.414 20 0 HIADMN Cc1cc2cc(NC(=O)C(=O)Nc3cccc4c3CN([C@H](C)C(C)C)C4)ccc2[nH]1 ZINC000446704893 870618946 /nfs/dbraw/zinc/61/89/46/870618946.db2.gz GCWMQKDSLPEJBP-MRXNPFEDSA-N 0 1 404.514 4.414 20 0 HIADMN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)cn1)C1CC1 ZINC000446730176 870640823 /nfs/dbraw/zinc/64/08/23/870640823.db2.gz YPHKZEOAXMMEEI-UHFFFAOYSA-N 0 1 401.875 4.038 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@@](C)(c3ccccc3)C2)c1 ZINC000446738094 870645009 /nfs/dbraw/zinc/64/50/09/870645009.db2.gz DSGFBKAYWYUFEW-UQBPGWFLSA-N 0 1 407.558 4.159 20 0 HIADMN C[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(Br)cc1F ZINC000446755973 870665718 /nfs/dbraw/zinc/66/57/18/870665718.db2.gz BBYPHWMXAYJTMZ-UONOGXRCSA-N 0 1 408.315 4.059 20 0 HIADMN COc1ccc(Cl)cc1C1(CN[C@@H](c2ncc[nH]2)c2ccccc2)CCOCC1 ZINC000446757409 870670179 /nfs/dbraw/zinc/67/01/79/870670179.db2.gz SZYGKCUUTOPLJR-OAQYLSRUSA-N 0 1 411.933 4.499 20 0 HIADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000446771248 870685070 /nfs/dbraw/zinc/68/50/70/870685070.db2.gz YSIMRWQESTWPQL-KRWDZBQOSA-N 0 1 402.560 4.473 20 0 HIADMN COc1ccc(CNC2(c3cccc(OC)c3F)CCOCC2)cc1Br ZINC000446823211 870737531 /nfs/dbraw/zinc/73/75/31/870737531.db2.gz JVWPWNCHVSIMLI-UHFFFAOYSA-N 0 1 424.310 4.401 20 0 HIADMN COc1ccc(Br)c(CN[C@H](CCn2cncn2)c2ccc(C)cc2)c1 ZINC000446830107 870745780 /nfs/dbraw/zinc/74/57/80/870745780.db2.gz OOPLTJYWBHTEFS-HXUWFJFHSA-N 0 1 415.335 4.279 20 0 HIADMN CCO[C@@H](CNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccc1 ZINC000446869854 870789784 /nfs/dbraw/zinc/78/97/84/870789784.db2.gz DFSYBCKYVVNOIY-NRFANRHFSA-N 0 1 419.529 4.139 20 0 HIADMN CCO[C@H](CNC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccccc1 ZINC000446871670 870791792 /nfs/dbraw/zinc/79/17/92/870791792.db2.gz OLOVMAYNXJJGNY-NHCUHLMSSA-N 0 1 419.529 4.139 20 0 HIADMN Cc1nn(-c2ccncc2)cc1CNc1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000446878603 870798837 /nfs/dbraw/zinc/79/88/37/870798837.db2.gz ATPMMRKFQZKTJB-UHFFFAOYSA-N 0 1 415.472 4.257 20 0 HIADMN O=C1[C@@H](Sc2nc(-c3ccccc3F)n[nH]2)CCCN1Cc1ccc(F)cc1F ZINC000468481603 882447854 /nfs/dbraw/zinc/44/78/54/882447854.db2.gz RRFNGMFSOMFFTG-KRWDZBQOSA-N 0 1 418.444 4.172 20 0 HIADMN C[C@@H](CNC(=O)c1sccc1CN(C)C)Sc1ccc(Br)cc1 ZINC000446918626 870834380 /nfs/dbraw/zinc/83/43/80/870834380.db2.gz ATULOXHPWSBNTL-LBPRGKRZSA-N 0 1 413.406 4.483 20 0 HIADMN COc1ccc([C@H](CCn2cncn2)N[C@H](C)c2nc(-c3ccncc3)cs2)cc1 ZINC000446936839 870846955 /nfs/dbraw/zinc/84/69/55/870846955.db2.gz AMBXCAZMGNWYRQ-UZLBHIALSA-N 0 1 420.542 4.287 20 0 HIADMN COc1ccc([C@H](CCn2cncn2)NCc2sccc2Br)cc1 ZINC000446941934 870851148 /nfs/dbraw/zinc/85/11/48/870851148.db2.gz OZJKPZYAHHZCAJ-INIZCTEOSA-N 0 1 407.337 4.032 20 0 HIADMN COc1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000446995776 870882649 /nfs/dbraw/zinc/88/26/49/870882649.db2.gz GESAVIWKZORHJN-UHFFFAOYSA-N 0 1 422.462 4.130 20 0 HIADMN COc1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000446998963 870884201 /nfs/dbraw/zinc/88/42/01/870884201.db2.gz GAZOIKIAVXZCLS-UHFFFAOYSA-N 0 1 412.467 4.247 20 0 HIADMN CN(Cc1cnn(-c2ccc(Br)cc2)c1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447072182 870954145 /nfs/dbraw/zinc/95/41/45/870954145.db2.gz HIXQTFHSRGKUDK-UHFFFAOYSA-N 0 1 402.340 4.287 20 0 HIADMN COC(=O)[C@@](C)(CNCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000447075583 870958643 /nfs/dbraw/zinc/95/86/43/870958643.db2.gz KSOKFPIFOYZIPC-NRFANRHFSA-N 0 1 402.466 4.309 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000447078490 870964781 /nfs/dbraw/zinc/96/47/81/870964781.db2.gz PMHWSCXWXUJNCY-UHFFFAOYSA-N 0 1 420.492 4.095 20 0 HIADMN COc1cc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1SC ZINC000468487181 882461168 /nfs/dbraw/zinc/46/11/68/882461168.db2.gz KSVIDIGUONSVSA-QGZVFWFLSA-N 0 1 408.449 4.433 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000447080418 870968432 /nfs/dbraw/zinc/96/84/32/870968432.db2.gz VMPRMEHDDIPPDX-UHFFFAOYSA-N 0 1 417.863 4.235 20 0 HIADMN Cc1nc(-c2ccc(C)c(NC(=O)N3CCN(Cc4ccccc4)C(C)(C)C3)c2)n[nH]1 ZINC000447082247 870970529 /nfs/dbraw/zinc/97/05/29/870970529.db2.gz NCRNLVAWVNOTGO-UHFFFAOYSA-N 0 1 418.545 4.217 20 0 HIADMN Cc1cccc(-c2n[nH]cc2CNCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c1 ZINC000447098522 870997806 /nfs/dbraw/zinc/99/78/06/870997806.db2.gz IBONIUFVGGTASC-UHFFFAOYSA-N 0 1 423.460 4.097 20 0 HIADMN CCc1cccc(C)c1NC(=O)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000468492113 882473395 /nfs/dbraw/zinc/47/33/95/882473395.db2.gz LFWLEYXMKJEDJD-LJQANCHMSA-N 0 1 417.435 4.012 20 0 HIADMN O=S(=O)(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc(F)cc1Cl ZINC000447260275 871138531 /nfs/dbraw/zinc/13/85/31/871138531.db2.gz JNQLFWZOADYBEU-UHFFFAOYSA-N 0 1 421.759 4.349 20 0 HIADMN Fc1cccc(Cc2noc(CSc3nc(-c4cc(F)cc(F)c4)n[nH]3)n2)c1 ZINC000447299703 871196873 /nfs/dbraw/zinc/19/68/73/871196873.db2.gz SVWNZSYEIFDVFP-UHFFFAOYSA-N 0 1 403.389 4.155 20 0 HIADMN Cc1ccc(NC(=O)CNC2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1C ZINC000447327355 871217611 /nfs/dbraw/zinc/21/76/11/871217611.db2.gz SZOYJYOMEHCIPE-UHFFFAOYSA-N 0 1 422.447 4.436 20 0 HIADMN CCOc1ccc(Oc2cc(CNC(=O)c3sccc3CN(C)C)ccn2)cc1 ZINC000447429350 871334685 /nfs/dbraw/zinc/33/46/85/871334685.db2.gz XHMKGGIBBPBUDR-UHFFFAOYSA-N 0 1 411.527 4.326 20 0 HIADMN Cc1sc(CC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)nc1C(C)C ZINC000447528550 871392527 /nfs/dbraw/zinc/39/25/27/871392527.db2.gz JAPAOPHHXXDGTG-QGZVFWFLSA-N 0 1 423.464 4.160 20 0 HIADMN CC1(C)COc2c1cccc2C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000447533152 871398297 /nfs/dbraw/zinc/39/82/97/871398297.db2.gz ZHINGIVXVVVMNK-INIZCTEOSA-N 0 1 416.403 4.013 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)Cc3nc(C(C)C)c(C)s3)CCN2C2CC2)c1 ZINC000447550243 871428488 /nfs/dbraw/zinc/42/84/88/871428488.db2.gz NWXVQEPVWYJHBQ-AUSIDOKSSA-N 0 1 413.587 4.220 20 0 HIADMN COc1ccc2c(c1)[C@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)CCC2 ZINC000447551015 871429229 /nfs/dbraw/zinc/42/92/29/871429229.db2.gz JIZYRHSDNKGZGA-GOSISDBHSA-N 0 1 413.461 4.285 20 0 HIADMN Cc1c([C@@H](C)NCc2ccc(C)c(S(C)(=O)=O)c2)cnn1-c1cccc(Cl)c1 ZINC000447557278 871443242 /nfs/dbraw/zinc/44/32/42/871443242.db2.gz JHFHWSHXQPEXIW-OAHLLOKOSA-N 0 1 417.962 4.397 20 0 HIADMN COc1ccc(CC[C@H](C)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000468512725 882517246 /nfs/dbraw/zinc/51/72/46/882517246.db2.gz XJZUMDJJPVUGHO-SBUREZEXSA-N 0 1 409.530 4.146 20 0 HIADMN Cc1c([C@@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cnn1C(C)C ZINC000447565683 871461256 /nfs/dbraw/zinc/46/12/56/871461256.db2.gz NBERNIXLEQVBDI-GFCCVEGCSA-N 0 1 403.470 4.046 20 0 HIADMN CCc1nc2c(s1)[C@@H](NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)CCC2 ZINC000447565876 871461319 /nfs/dbraw/zinc/46/13/19/871461319.db2.gz OJZPIOXKAVOGJV-ZDUSSCGKSA-N 0 1 418.506 4.295 20 0 HIADMN Cc1c([C@H](C)N[C@H]2CCN(c3cccc(Br)c3)C2=O)cnn1C(C)(C)C ZINC000447568435 871465410 /nfs/dbraw/zinc/46/54/10/871465410.db2.gz JPAWQTVQIGRSDS-UGSOOPFHSA-N 0 1 419.367 4.165 20 0 HIADMN Cc1nc(-c2cccnc2)sc1[C@@H](C)NCc1ccc(C)c(S(C)(=O)=O)c1 ZINC000447577807 871477978 /nfs/dbraw/zinc/47/79/78/871477978.db2.gz IZQFPMZBHUHWCA-CQSZACIVSA-N 0 1 401.557 4.076 20 0 HIADMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1 ZINC000447582244 871485212 /nfs/dbraw/zinc/48/52/12/871485212.db2.gz VXRRCROTNCVKGI-KGLIPLIRSA-N 0 1 411.365 4.111 20 0 HIADMN OC[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)Cc1cc(F)c(F)c(F)c1 ZINC000447605158 871514098 /nfs/dbraw/zinc/51/40/98/871514098.db2.gz GUQWYOFSPKWOQE-IVZQSRNASA-N 0 1 404.407 4.168 20 0 HIADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000468517298 882525580 /nfs/dbraw/zinc/52/55/80/882525580.db2.gz OTZVCMOLZXQRJH-JTQLQIEISA-N 0 1 408.278 4.347 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cc(-c4ccc(F)cc4F)nn3C)[nH]2)c1 ZINC000447652859 871580480 /nfs/dbraw/zinc/58/04/80/871580480.db2.gz IKAVPOGGRAJQMV-UHFFFAOYSA-N 0 1 423.423 4.325 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)c1 ZINC000447654704 871586610 /nfs/dbraw/zinc/58/66/10/871586610.db2.gz ZXWWABDVBZTOJT-QFIPXVFZSA-N 0 1 404.514 4.156 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2C[C@H](C(C)C)c3ccccc32)N(C)C)cc1OC ZINC000447672135 871602828 /nfs/dbraw/zinc/60/28/28/871602828.db2.gz XQOWUAKLWGMOIY-TZIWHRDSSA-N 0 1 411.546 4.276 20 0 HIADMN Cc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)nn1-c1c(F)cccc1F ZINC000447721143 871664036 /nfs/dbraw/zinc/66/40/36/871664036.db2.gz FCQPYMCMPPALTB-IBGZPJMESA-N 0 1 412.440 4.096 20 0 HIADMN Cc1cc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)nn1-c1ccc(Cl)cc1 ZINC000447724496 871667413 /nfs/dbraw/zinc/66/74/13/871667413.db2.gz WJGSXBCZUQHYBZ-HXUWFJFHSA-N 0 1 410.905 4.472 20 0 HIADMN CSc1nccn1-c1ccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000447724081 871668597 /nfs/dbraw/zinc/66/85/97/871668597.db2.gz TUSSTJSFXMZIKC-LJQANCHMSA-N 0 1 408.527 4.232 20 0 HIADMN Cc1cccc(-c2noc(SCC(=O)Nc3cccc4c3OCC[C@@H]4N(C)C)n2)c1 ZINC000447723281 871668656 /nfs/dbraw/zinc/66/86/56/871668656.db2.gz OCRCBCLQYYMQIF-SFHVURJKSA-N 0 1 424.526 4.161 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)cccc21 ZINC000447723134 871668873 /nfs/dbraw/zinc/66/88/73/871668873.db2.gz NFJRZVJHDQLQKS-FQEVSTJZSA-N 0 1 420.488 4.138 20 0 HIADMN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000447730691 871678805 /nfs/dbraw/zinc/67/88/05/871678805.db2.gz QUZLGIVJJHBMTO-MRXNPFEDSA-N 0 1 400.548 4.268 20 0 HIADMN COc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1-c1ccccn1 ZINC000447732183 871680312 /nfs/dbraw/zinc/68/03/12/871680312.db2.gz VQKSJJFSNOOYOD-OAQYLSRUSA-N 0 1 403.482 4.395 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(CCSC)cc2)cc1OC ZINC000447780117 871708078 /nfs/dbraw/zinc/70/80/78/871708078.db2.gz WUVPWDDUWGDDSD-UHFFFAOYSA-N 0 1 401.937 4.064 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1OC ZINC000447781865 871710614 /nfs/dbraw/zinc/71/06/14/871710614.db2.gz ZOJDHNXIAJQGMB-UHFFFAOYSA-N 0 1 420.874 4.345 20 0 HIADMN O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000447783187 871715378 /nfs/dbraw/zinc/71/53/78/871715378.db2.gz NQFNBFGQBJAVKB-UHFFFAOYSA-N 0 1 401.284 4.127 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)cc1OC ZINC000447786138 871718706 /nfs/dbraw/zinc/71/87/06/871718706.db2.gz DSVLCORQKDNZMF-UHFFFAOYSA-N 0 1 411.907 4.387 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1OC ZINC000447791664 871726561 /nfs/dbraw/zinc/72/65/61/871726561.db2.gz MFSHYBSQKPIWSP-UHFFFAOYSA-N 0 1 424.675 4.060 20 0 HIADMN O=C(c1ccc(CN2CCSCC2)cc1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468528271 882548009 /nfs/dbraw/zinc/54/80/09/882548009.db2.gz JUPRZCKIYGPVCR-UHFFFAOYSA-N 0 1 414.415 4.192 20 0 HIADMN Cc1nn(C)c(CN[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1Br ZINC000447898503 871808135 /nfs/dbraw/zinc/80/81/35/871808135.db2.gz 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C[C@@H]1CCCN(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)[C@@H]1C ZINC000448018266 871861773 /nfs/dbraw/zinc/86/17/73/871861773.db2.gz OGIWFIYBBKYBRS-HUUCEWRRSA-N 0 1 402.926 4.001 20 0 HIADMN C[C@H](NCc1ccc(-c2ccco2)cc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000448026103 871866150 /nfs/dbraw/zinc/86/61/50/871866150.db2.gz GZFXYZJPIHPAAW-HNNXBMFYSA-N 0 1 402.491 4.187 20 0 HIADMN CO[C@@H]1CCOc2c(NC(=O)N3CCN(Cc4ccccc4)C(C)(C)C3)cccc21 ZINC000448037054 871870222 /nfs/dbraw/zinc/87/02/22/871870222.db2.gz BYSFAGWLXMJXPD-OAQYLSRUSA-N 0 1 409.530 4.285 20 0 HIADMN O=C1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)ccc2N1 ZINC000468533504 882562229 /nfs/dbraw/zinc/56/22/29/882562229.db2.gz VXQBXSXHGOEXIW-UHFFFAOYSA-N 0 1 420.918 4.204 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cnc(C(C)C)s3)CC2)c1C ZINC000448134026 872008210 /nfs/dbraw/zinc/00/82/10/872008210.db2.gz FZHHFDMGRFPLAR-UHFFFAOYSA-N 0 1 416.591 4.024 20 0 HIADMN Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000448247915 872164037 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CCOC(=O)c1ccccc1NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477542912 892581568 /nfs/dbraw/zinc/58/15/68/892581568.db2.gz PQBITNBNNUFPLD-UHFFFAOYSA-N 0 1 406.404 4.100 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)c2oc3ccccc3c2CSc2ncccn2)n[nH]1 ZINC000477593386 892667823 /nfs/dbraw/zinc/66/78/23/892667823.db2.gz TWCBKXMTVLKNCV-CYBMUJFWSA-N 0 1 422.514 4.248 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)[C@H](C)Cc3cncc4ccccc43)CC2)cc1 ZINC000477686648 892809804 /nfs/dbraw/zinc/80/98/04/892809804.db2.gz CVNSUQYUBNMCMZ-HXUWFJFHSA-N 0 1 417.553 4.157 20 0 HIADMN Cc1cccc(CC2(O)CCN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CC2)c1 ZINC000477692543 892812274 /nfs/dbraw/zinc/81/22/74/892812274.db2.gz JXPHDKPZNMCRDW-UHFFFAOYSA-N 0 1 415.946 4.310 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCc3ccccc3[C@H]2CO)c1 ZINC000477694115 892813134 /nfs/dbraw/zinc/81/31/34/892813134.db2.gz VYRXHJMGGKWOHH-RUZDIDTESA-N 0 1 400.522 4.051 20 0 HIADMN CCN(C[C@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1)CC(F)(F)F ZINC000477720406 892825706 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O=C1[C@@H](N[C@H]2CCCc3ncc(C(F)(F)F)cc32)CCN1Cc1ccc(F)cc1 ZINC000477933395 893022285 /nfs/dbraw/zinc/02/22/85/893022285.db2.gz RVYRNCOYZFNCOA-OALUTQOASA-N 0 1 407.411 4.008 20 0 HIADMN Cc1cc(Br)c2ccccc2c1NC(=O)N1CCN(CC2CC2)CC1 ZINC000477970225 893063625 /nfs/dbraw/zinc/06/36/25/893063625.db2.gz ARYHKCPSIUCGRS-UHFFFAOYSA-N 0 1 402.336 4.470 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccsc1 ZINC000504987924 913732717 /nfs/dbraw/zinc/73/27/17/913732717.db2.gz FOEYRLWECIMTKO-AWEZNQCLSA-N 0 1 405.417 4.253 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000478041683 893177693 /nfs/dbraw/zinc/17/76/93/893177693.db2.gz OGOWJBQWPJWGML-ZJSXRUAMSA-N 0 1 406.574 4.147 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000478042877 893180497 /nfs/dbraw/zinc/18/04/97/893180497.db2.gz UKZPKGIHHIZTIE-ISKFKSNPSA-N 0 1 406.574 4.147 20 0 HIADMN COCC[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000505012251 913757402 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COCCN(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000478439151 893741941 /nfs/dbraw/zinc/74/19/41/893741941.db2.gz VSMICPTWFIQCGJ-DYESRHJHSA-N 0 1 407.986 4.151 20 0 HIADMN CCc1cnc(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)o1 ZINC000478509730 893820541 /nfs/dbraw/zinc/82/05/41/893820541.db2.gz RBQLZRWYZMMAPM-UHFFFAOYSA-N 0 1 403.311 4.089 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)n[nH]1 ZINC000505081502 913808316 /nfs/dbraw/zinc/80/83/16/913808316.db2.gz ZMUGSNMTPLOXRL-ZYHUDNBSSA-N 0 1 417.510 4.389 20 0 HIADMN C[C@H]1COCC[C@H]1CNC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000478538232 893838329 /nfs/dbraw/zinc/83/83/29/893838329.db2.gz HRDBJDMAJDZQFP-UWVGGRQHSA-N 0 1 406.355 4.011 20 0 HIADMN CC(C)Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000478558813 893848576 /nfs/dbraw/zinc/84/85/76/893848576.db2.gz JNPMKEZZHLOGEO-FOIQADDNSA-N 0 1 404.917 4.117 20 0 HIADMN CC(C)Nc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000478558813 893848577 /nfs/dbraw/zinc/84/85/77/893848577.db2.gz JNPMKEZZHLOGEO-FOIQADDNSA-N 0 1 404.917 4.117 20 0 HIADMN Cc1ccc(I)cc1NC(=O)c1cn[nH]c1-c1ccc(F)cc1 ZINC000478649661 893895189 /nfs/dbraw/zinc/89/51/89/893895189.db2.gz DZWUZDKFACIJDZ-UHFFFAOYSA-N 0 1 421.213 4.381 20 0 HIADMN COc1cc(C)c(S(=O)(=O)Nc2cc(OC)c(OC)c(C)c2OC)cc1C(C)C ZINC000478670073 893918491 /nfs/dbraw/zinc/91/84/91/893918491.db2.gz AUGKVCINZTZUSC-UHFFFAOYSA-N 0 1 423.531 4.262 20 0 HIADMN Cc1cc(C(=O)Nc2ccn(-c3ccncc3)n2)c2cc(Br)ccc2n1 ZINC000505111276 913822898 /nfs/dbraw/zinc/82/28/98/913822898.db2.gz VHZBXHDZAYLIRA-UHFFFAOYSA-N 0 1 408.259 4.139 20 0 HIADMN Cc1cccn2cc(COc3ccc(C(=O)Nc4ccn(-c5ccncc5)n4)cc3)nc12 ZINC000505102918 913819050 /nfs/dbraw/zinc/81/90/50/913819050.db2.gz OBHCWPOWVJDBAW-UHFFFAOYSA-N 0 1 424.464 4.055 20 0 HIADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Cc1ccccc1Br ZINC000478752980 894028019 /nfs/dbraw/zinc/02/80/19/894028019.db2.gz BQZKAAVDFFSOGX-UHFFFAOYSA-N 0 1 402.317 4.062 20 0 HIADMN O=C(Nc1ccn(-c2ccncc2)n1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000505128339 913833026 /nfs/dbraw/zinc/83/30/26/913833026.db2.gz IRFCERNTFHFPES-UHFFFAOYSA-N 0 1 404.451 4.019 20 0 HIADMN O=C(CCOc1ccc(Cl)cc1Br)Nc1ccn(-c2ccncc2)n1 ZINC000505128365 913833066 /nfs/dbraw/zinc/83/30/66/913833066.db2.gz JFFZEBJWFBDXPD-UHFFFAOYSA-N 0 1 421.682 4.091 20 0 HIADMN C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000505142371 913839006 /nfs/dbraw/zinc/83/90/06/913839006.db2.gz QAKBZWVZNIZNGJ-GFCCVEGCSA-N 0 1 403.305 4.149 20 0 HIADMN C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000478854911 894134609 /nfs/dbraw/zinc/13/46/09/894134609.db2.gz LIBORVVTRAPJEQ-WWNPGLIZSA-N 0 1 406.526 4.177 20 0 HIADMN C[C@@H](NC(=O)N1CC2(CCC2)c2ccccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000478880600 894159045 /nfs/dbraw/zinc/15/90/45/894159045.db2.gz FQKQLRUGGDITIM-GOSISDBHSA-N 0 1 422.548 4.290 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)N2CCCC2)o1 ZINC000478892524 894172545 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HIADMN Cn1ccnc1CN1CCC[C@@H](NCc2ccc(-c3ccc(C(C)(C)C)cc3)o2)C1=O ZINC000543990812 940285927 /nfs/dbraw/zinc/28/59/27/940285927.db2.gz VWUVZIDROSHHIR-OAQYLSRUSA-N 0 1 420.557 4.258 20 0 HIADMN Cc1ccc(C2CCN([C@H](C)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000543990755 940286113 /nfs/dbraw/zinc/28/61/13/940286113.db2.gz TUCTVJZYCWWTKM-OAHLLOKOSA-N 0 1 407.436 4.495 20 0 HIADMN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)n1 ZINC000544021450 940301826 /nfs/dbraw/zinc/30/18/26/940301826.db2.gz SBKCOQKTPWWANH-FQEVSTJZSA-N 0 1 405.433 4.300 20 0 HIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000544030088 940304739 /nfs/dbraw/zinc/30/47/39/940304739.db2.gz YKFSTZRKKAKFLS-UHFFFAOYSA-N 0 1 423.394 4.184 20 0 HIADMN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000544048383 940310256 /nfs/dbraw/zinc/31/02/56/940310256.db2.gz RKKQODPCEPDUEC-BJKOFHAPSA-N 0 1 421.585 4.132 20 0 HIADMN CSc1c(F)cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1F ZINC000544098384 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CCN(Cc1cn(-c2ccncc2)nc1C)Cc1cc(Br)ccc1F ZINC000544349657 940397022 /nfs/dbraw/zinc/39/70/22/940397022.db2.gz JGTNEGPBCPGQPS-UHFFFAOYSA-N 0 1 403.299 4.499 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl ZINC000544356552 940399091 /nfs/dbraw/zinc/39/90/91/940399091.db2.gz CTQFFJUDHYPTHY-CQSZACIVSA-N 0 1 416.737 4.275 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 ZINC000544360232 940401189 /nfs/dbraw/zinc/40/11/89/940401189.db2.gz MBPVWIIGIOHHDQ-GOSISDBHSA-N 0 1 400.404 4.222 20 0 HIADMN Cc1cc(C)cc(OCCC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000544361107 940401748 /nfs/dbraw/zinc/40/17/48/940401748.db2.gz RSYBRVOGJQKIIQ-LJQANCHMSA-N 0 1 418.419 4.115 20 0 HIADMN Cc1noc2ncc(C(=O)N[C@H](c3ccc(F)c(F)c3)C(C)(C)N3CCCC3)cc12 ZINC000544366328 940403216 /nfs/dbraw/zinc/40/32/16/940403216.db2.gz ZRTDZSKBWARKRL-LJQANCHMSA-N 0 1 414.456 4.155 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000544378854 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HIADMN CC(C)(C)c1nnc(NC(=O)CN[C@@H](Cc2ccccc2)c2cccs2)s1 ZINC000544415586 940417239 /nfs/dbraw/zinc/41/72/39/940417239.db2.gz OVSAKNTZPTXJCQ-HNNXBMFYSA-N 0 1 400.573 4.409 20 0 HIADMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(Br)c(C)c1)c1c(C)nn(C)c1C ZINC000544416899 940417857 /nfs/dbraw/zinc/41/78/57/940417857.db2.gz JLXDLQNQNWQYJK-DYVFJYSZSA-N 0 1 407.356 4.176 20 0 HIADMN CC[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1c(C)nn(C)c1C ZINC000544418868 940418774 /nfs/dbraw/zinc/41/87/74/940418774.db2.gz WIZJXPVQIPOBAY-GOSISDBHSA-N 0 1 412.534 4.148 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000544420814 940420739 /nfs/dbraw/zinc/42/07/39/940420739.db2.gz FRMJNBOEJRMDKH-OFQRWUPVSA-N 0 1 410.484 4.287 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000544422365 940421580 /nfs/dbraw/zinc/42/15/80/940421580.db2.gz YQTJLOJJLMSOEQ-LLVKDONJSA-N 0 1 402.848 4.313 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000544423525 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401.576 4.282 20 0 HIADMN COc1ccc2oc([C@@H](C)NCC(=O)NC[C@@H]3CCN(c4ccccc4)C3)c(C)c2c1 ZINC000544483881 940451391 /nfs/dbraw/zinc/45/13/91/940451391.db2.gz YHNYEZMRTFZQOV-MOPGFXCFSA-N 0 1 421.541 4.043 20 0 HIADMN CN(CC(=O)Nc1ccc(Br)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544525284 940471095 /nfs/dbraw/zinc/47/10/95/940471095.db2.gz CTHNMLBVHKYMLM-RBUKOAKNSA-N 0 1 421.310 4.379 20 0 HIADMN COc1ccc(C2(C(=O)NC[C@@H](c3ccc(Cl)cc3)N(C)C)CCC2)cc1OC ZINC000544564958 940480419 /nfs/dbraw/zinc/48/04/19/940480419.db2.gz MFZQAWRTEOBXKB-IBGZPJMESA-N 0 1 416.949 4.198 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H](c1ccccc1)c1cncnc1 ZINC000544568526 940481381 /nfs/dbraw/zinc/48/13/81/940481381.db2.gz JMOPAXFFVNUBTE-QFIPXVFZSA-N 0 1 410.905 4.155 20 0 HIADMN CCCCOc1c(Cl)cc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1OC ZINC000544582154 940483977 /nfs/dbraw/zinc/48/39/77/940483977.db2.gz RPDSUPTURQKZGS-GOSISDBHSA-N 0 1 414.893 4.165 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(COCC(F)(F)F)c2)cc1 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QHCBQTQASQNMIY-LJQANCHMSA-N 0 1 409.465 4.056 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)CC1 ZINC000558270240 943471734 /nfs/dbraw/zinc/47/17/34/943471734.db2.gz WGOVKALSHLSYBC-UHFFFAOYSA-N 0 1 417.485 4.455 20 0 HIADMN CN(CCCN(C)C(=O)Nc1ccc(OC(F)F)c2ncccc12)Cc1ccco1 ZINC000558329668 943510119 /nfs/dbraw/zinc/51/01/19/943510119.db2.gz LWIUTMGQZKNYOR-UHFFFAOYSA-N 0 1 418.444 4.415 20 0 HIADMN Cc1cccc(CCCNC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)n1 ZINC000558367927 943529042 /nfs/dbraw/zinc/52/90/42/943529042.db2.gz NZKAFHVOCSLOKB-OAQYLSRUSA-N 0 1 400.954 4.112 20 0 HIADMN Cc1nc(-c2ccc(CCNC(=O)N3CCC(c4cn[nH]c4C)CC3)s2)cs1 ZINC000558380067 943536127 /nfs/dbraw/zinc/53/61/27/943536127.db2.gz NOMDHUJQLDYBTF-UHFFFAOYSA-N 0 1 415.588 4.343 20 0 HIADMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4cc(=O)[nH]c5ccccc54)no3)cc2)C[C@@H](C)O1 ZINC000558394297 943545416 /nfs/dbraw/zinc/54/54/16/943545416.db2.gz ZTVSQRQZHWQECH-HZPDHXFCSA-N 0 1 416.481 4.267 20 0 HIADMN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN[C@H](c1cccs1)C(C)(C)CO ZINC000558466667 943566728 /nfs/dbraw/zinc/56/67/28/943566728.db2.gz PFPPJYQLYBAIFR-HTAPYJJXSA-N 0 1 400.588 4.225 20 0 HIADMN Cc1sc2nc(CN[C@H]3CCN(C)[C@@H]3c3ccc(Cl)c(F)c3)[nH]c(=O)c2c1C ZINC000558472732 943568354 /nfs/dbraw/zinc/56/83/54/943568354.db2.gz PMEJKXMDAMYHSM-MAUKXSAKSA-N 0 1 420.941 4.341 20 0 HIADMN CC1(C)CCCc2sc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)nc21 ZINC000558512973 943582042 /nfs/dbraw/zinc/58/20/42/943582042.db2.gz CRZMSZMSCLKUEH-ZDUSSCGKSA-N 0 1 400.552 4.164 20 0 HIADMN CCCn1ccc2ccc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)C3CCCCC3)cc21 ZINC000558538493 943592397 /nfs/dbraw/zinc/59/23/97/943592397.db2.gz KNLRSPALFHEACQ-OAQYLSRUSA-N 0 1 421.545 4.021 20 0 HIADMN C[C@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000558589002 943609822 /nfs/dbraw/zinc/60/98/22/943609822.db2.gz NZOOPQZRADDJEB-SQJMNOBHSA-N 0 1 414.590 4.466 20 0 HIADMN O=C(CN1CCCC[C@H]1c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000558610750 943617463 /nfs/dbraw/zinc/61/74/63/943617463.db2.gz XCBCRJLHWSCVDH-QHCPKHFHSA-N 0 1 405.542 4.091 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000558681545 943627988 /nfs/dbraw/zinc/62/79/88/943627988.db2.gz HJHSNALCAJCUQI-BHIFYINESA-N 0 1 421.516 4.169 20 0 HIADMN C[C@H](N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1sccc1Br ZINC000558698370 943629690 /nfs/dbraw/zinc/62/96/90/943629690.db2.gz KFKGXWXANOABPA-HOCLYGCPSA-N 0 1 407.377 4.395 20 0 HIADMN O=C(c1ccccc1)N1CC[C@H](CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)C1 ZINC000558725939 943633300 /nfs/dbraw/zinc/63/33/00/943633300.db2.gz SDOLXTHCRHBFIW-KNQAVFIVSA-N 0 1 416.525 4.426 20 0 HIADMN COc1cccc(CN(C)CCC(=O)N2CCC[C@@H]2C)c1OCc1ccccc1F ZINC000558732775 943634391 /nfs/dbraw/zinc/63/43/91/943634391.db2.gz UQQAEEWTXMCQHH-SFHVURJKSA-N 0 1 414.521 4.246 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)c3ccc(C(=O)C(C)C)cc3)n2)c(OC)c1 ZINC000558809559 943673132 /nfs/dbraw/zinc/67/31/32/943673132.db2.gz KKFNRKTXUUMUJW-AWEZNQCLSA-N 0 1 422.485 4.070 20 0 HIADMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000558864454 943706994 /nfs/dbraw/zinc/70/69/94/943706994.db2.gz TWZYTYYZFULOHM-NOTZXAQLSA-N 0 1 414.553 4.360 20 0 HIADMN CC(C)N1CC[C@H](NCc2nnc(-c3ccccc3)n2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000558894204 943726770 /nfs/dbraw/zinc/72/67/70/943726770.db2.gz ARUQTQVIQFSHHE-UNMCSNQZSA-N 0 1 411.500 4.074 20 0 HIADMN COc1ccc(-c2cnc(CN[C@H]3CCN(C4CC4)[C@H]3c3cccc(OC)c3)o2)cc1 ZINC000558894144 943727657 /nfs/dbraw/zinc/72/76/57/943727657.db2.gz FKMRHPBCAYDVCY-DHLKQENFSA-N 0 1 419.525 4.426 20 0 HIADMN CC(C)N1CC[C@H](N[C@H](C(=O)NC2CC2)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000558896236 943729735 /nfs/dbraw/zinc/72/97/35/943729735.db2.gz KBOCENATHHXISH-RJGXRXQPSA-N 0 1 413.512 4.098 20 0 HIADMN Cc1cc(-c2nnc(N3CCN(C4CC4)CC3)n2Cc2ccccc2)c2ccccc2n1 ZINC000558908175 943740735 /nfs/dbraw/zinc/74/07/35/943740735.db2.gz PVWRGOJQTCQOHQ-UHFFFAOYSA-N 0 1 424.552 4.134 20 0 HIADMN CCN1CCN(CC(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)CC1 ZINC000558926094 943749838 /nfs/dbraw/zinc/74/98/38/943749838.db2.gz NNIYAHRJZSZXFV-UHFFFAOYSA-N 0 1 422.356 4.039 20 0 HIADMN CCc1c(NC(=O)CCOCC(F)F)[nH]nc1-c1ccc(Br)cc1 ZINC000559018751 943806710 /nfs/dbraw/zinc/80/67/10/943806710.db2.gz OOHVGZQBNLTZJH-UHFFFAOYSA-N 0 1 402.239 4.012 20 0 HIADMN COC(=O)c1sc2ccccc2c1CN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000559055527 943817710 /nfs/dbraw/zinc/81/77/10/943817710.db2.gz AYDFYICWQPQGPL-INIZCTEOSA-N 0 1 423.538 4.242 20 0 HIADMN COc1ccccc1OCc1ccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)o1 ZINC000559056496 943817829 /nfs/dbraw/zinc/81/78/29/943817829.db2.gz RXQBVNSHAVIWLP-UHFFFAOYSA-N 0 1 406.442 4.062 20 0 HIADMN CCOC(=O)C1CCC(N(CC)Cc2ccc(OC)c(O)c2Br)CC1 ZINC000559080387 943829886 /nfs/dbraw/zinc/82/98/86/943829886.db2.gz BPLXNAWTYLAWKK-UHFFFAOYSA-N 0 1 414.340 4.107 20 0 HIADMN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000559154415 943855035 /nfs/dbraw/zinc/85/50/35/943855035.db2.gz JUKZTXVKMIXQQK-UHFFFAOYSA-N 0 1 422.510 4.441 20 0 HIADMN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H](CC)N(C)Cc3ccccc3)c2)n1 ZINC000559270895 943888456 /nfs/dbraw/zinc/88/84/56/943888456.db2.gz UENJVNOTWHHOIB-NRFANRHFSA-N 0 1 404.514 4.261 20 0 HIADMN CC[C@@H](C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C)N(C)Cc1ccccc1 ZINC000559280434 943889745 /nfs/dbraw/zinc/88/97/45/943889745.db2.gz IHWBRKZNICKXAZ-IBGZPJMESA-N 0 1 421.463 4.136 20 0 HIADMN C[C@@H](c1ccccc1F)N1CCC[C@H](NCc2cc(O)cc(C(F)(F)F)c2)C1=O ZINC000559321392 943895950 /nfs/dbraw/zinc/89/59/50/943895950.db2.gz AKSNCFNGJWGLDJ-DJJJIMSYSA-N 0 1 410.411 4.392 20 0 HIADMN COc1cc(CN[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)ccc1OC(F)F ZINC000559324137 943896355 /nfs/dbraw/zinc/89/63/55/943896355.db2.gz SRIYATUUDYJXDF-KDOFPFPSSA-N 0 1 422.447 4.278 20 0 HIADMN CC[C@@H](C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)N(C)Cc1ccccc1 ZINC000559339064 943899191 /nfs/dbraw/zinc/89/91/91/943899191.db2.gz USJALCOIVXHQPV-KXBFYZLASA-N 0 1 412.921 4.478 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000559370017 943918242 /nfs/dbraw/zinc/91/82/42/943918242.db2.gz KYHQNOURCFWEHL-HRAATJIYSA-N 0 1 416.612 4.494 20 0 HIADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000559409496 943940765 /nfs/dbraw/zinc/94/07/65/943940765.db2.gz PRLXORSHNPTIAF-KRWDZBQOSA-N 0 1 417.444 4.286 20 0 HIADMN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC000559564219 944005706 /nfs/dbraw/zinc/00/57/06/944005706.db2.gz HVVDUIGNBXTMIT-SFHVURJKSA-N 0 1 417.296 4.275 20 0 HIADMN CC(C)N1CC[C@H](NC(=O)c2ccc3cncn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559617955 944018362 /nfs/dbraw/zinc/01/83/62/944018362.db2.gz COPHAEFEEMOEGV-VQTJNVASSA-N 0 1 400.885 4.081 20 0 HIADMN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)n(-c2ccccc2C)n1 ZINC000559624587 944018786 /nfs/dbraw/zinc/01/87/86/944018786.db2.gz CWBICPHFJVSFKM-UHFFFAOYSA-N 0 1 411.405 4.189 20 0 HIADMN CN(CCO)Cc1cc(NCc2cc(Br)ccc2F)ccc1Cl ZINC000559641335 944022130 /nfs/dbraw/zinc/02/21/30/944022130.db2.gz FTHCVFTYOSBXEK-UHFFFAOYSA-N 0 1 401.707 4.278 20 0 HIADMN Cc1ccc(-c2cc(NC(=O)Nc3cccc(C[S@@](=O)C(C)(C)C)c3)[nH]n2)o1 ZINC000559848551 944067498 /nfs/dbraw/zinc/06/74/98/944067498.db2.gz HEPRVFSAMCYVPJ-NDEPHWFRSA-N 0 1 400.504 4.669 20 0 HIADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000559881010 944073625 /nfs/dbraw/zinc/07/36/25/944073625.db2.gz MMFYZLBZRPGNGY-UHFFFAOYSA-N 0 1 414.868 4.242 20 0 HIADMN CN(CCC(F)(F)F)[C@H](CNc1ncnc2c1cnn2C)c1ccc(Cl)cc1 ZINC000559934344 944090497 /nfs/dbraw/zinc/09/04/97/944090497.db2.gz LUBWJLKGKQHBBV-OAHLLOKOSA-N 0 1 412.847 4.054 20 0 HIADMN Cc1c(S(=O)(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c2ccccc2n1C ZINC000559961190 944101256 /nfs/dbraw/zinc/10/12/56/944101256.db2.gz QIMDUBPMCPGSJP-UHFFFAOYSA-N 0 1 411.449 4.372 20 0 HIADMN COc1cccc(C(=O)CCCC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c1 ZINC000559984118 944111482 /nfs/dbraw/zinc/11/14/82/944111482.db2.gz QMRMFYSAWZMUPR-FDDCHVKYSA-N 0 1 414.571 4.309 20 0 HIADMN CC[C@@H](C)[C@H](NCc1cccc2c1OCCO2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000559986874 944112733 /nfs/dbraw/zinc/11/27/33/944112733.db2.gz PJANRRZIJOZJIT-JPYJTQIMSA-N 0 1 423.557 4.201 20 0 HIADMN Cc1c(S(=O)(=O)Nc2cccc(COCCOC(C)C)c2)c2ccccc2n1C ZINC000560006734 944127615 /nfs/dbraw/zinc/12/76/15/944127615.db2.gz WTJARRCHRRQRDA-UHFFFAOYSA-N 0 1 416.543 4.229 20 0 HIADMN CCS(=O)(=O)c1ccc([C@H](C)NCC(=O)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000560174679 944186617 /nfs/dbraw/zinc/18/66/17/944186617.db2.gz MPXAHPXGZIRAQQ-ZWKOTPCHSA-N 0 1 424.566 4.161 20 0 HIADMN Cc1ccc(F)cc1NC(=O)[C@@H](C)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000560177469 944187610 /nfs/dbraw/zinc/18/76/10/944187610.db2.gz MXCHHCRMDURULY-XIKOKIGWSA-N 0 1 406.299 4.360 20 0 HIADMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000560178621 944188067 /nfs/dbraw/zinc/18/80/67/944188067.db2.gz SUMZACKCFOBNGR-RBZFPXEDSA-N 0 1 420.326 4.244 20 0 HIADMN O=C(c1cccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)c1)N1CCCCC1 ZINC000560190826 944193005 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408.546 4.137 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccc(Cl)cc3)cc2)C[C@@H](C)O1 ZINC000410349092 855942654 /nfs/dbraw/zinc/94/26/54/855942654.db2.gz DNRHKKJKTLOBAE-QZTJIDSGSA-N 0 1 415.965 4.291 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCc4sccc4[C@H]3C)cc2)C[C@H](C)O1 ZINC000410350136 855943838 /nfs/dbraw/zinc/94/38/38/855943838.db2.gz IBMRGNFEMZOGKQ-FGTMMUONSA-N 0 1 413.587 4.186 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H](c3ccccc3)C3CC3)cc2)C[C@H](C)O1 ZINC000410358247 855948747 /nfs/dbraw/zinc/94/87/47/855948747.db2.gz FCSSQZAAUZMDHR-YDIMBITNSA-N 0 1 407.558 4.246 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)CCCc3ccccc3)cc2)C[C@@H](C)O1 ZINC000410358595 855948826 /nfs/dbraw/zinc/94/88/26/855948826.db2.gz GVUXMCYMKKGHTE-NHCUHLMSSA-N 0 1 409.574 4.070 20 0 HIADMN O=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1ccc(Cl)cc1Br ZINC000410383113 855964385 /nfs/dbraw/zinc/96/43/85/855964385.db2.gz NKFSUBABSUODHQ-UHFFFAOYSA-N 0 1 424.707 4.360 20 0 HIADMN C[C@@H](c1nc(-c2cccs2)no1)N1CCN(CCCCC2CCOCC2)CC1 ZINC000410394231 855971013 /nfs/dbraw/zinc/97/10/13/855971013.db2.gz WCJOPVKFDOVXEG-KRWDZBQOSA-N 0 1 404.580 4.074 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(=O)n(Cc4ccccc4Cl)c3)[nH]c21 ZINC000425933669 856007912 /nfs/dbraw/zinc/00/79/12/856007912.db2.gz VYBOWSSHRZIHSV-UHFFFAOYSA-N 0 1 420.900 4.306 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCC2CC(F)(F)C2)c2cc(F)ccc2F)c1 ZINC000425957100 856017450 /nfs/dbraw/zinc/01/74/50/856017450.db2.gz ADDVVWREOBUWOF-SFHVURJKSA-N 0 1 401.425 4.093 20 0 HIADMN CCN(CCNC(=O)N1CCC(Oc2cc(C)ccc2C)CC1)CCC(F)(F)F ZINC000425965875 856020711 /nfs/dbraw/zinc/02/07/11/856020711.db2.gz JYQVRNUPGZIIBL-UHFFFAOYSA-N 0 1 415.500 4.131 20 0 HIADMN CCN(CCNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1)CCC(F)(F)F ZINC000425984614 856031092 /nfs/dbraw/zinc/03/10/92/856031092.db2.gz JTFMOVZVHKTNIG-IBGZPJMESA-N 0 1 411.443 4.489 20 0 HIADMN CCN(CCNC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C)CCC(F)(F)F ZINC000426004288 856041300 /nfs/dbraw/zinc/04/13/00/856041300.db2.gz VEFWXBQIMLWOJA-RHSMWYFYSA-N 0 1 421.891 4.086 20 0 HIADMN CC1(C)Cc2ccc(Br)cc2[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000426003913 856041828 /nfs/dbraw/zinc/04/18/28/856041828.db2.gz MMPSWUJYDAOLER-SFHVURJKSA-N 0 1 417.351 4.385 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(I)cc3C)[nH]c21 ZINC000426014595 856048549 /nfs/dbraw/zinc/04/85/49/856048549.db2.gz DXRUXRCIBOUBKG-UHFFFAOYSA-N 0 1 419.266 4.356 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@@H](Cc2cccnc2)c2cccc(Cl)c2)s1 ZINC000426036059 856061652 /nfs/dbraw/zinc/06/16/52/856061652.db2.gz LZPUYSRJQOMLGO-SFHVURJKSA-N 0 1 406.960 4.274 20 0 HIADMN C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000426078201 856091536 /nfs/dbraw/zinc/09/15/36/856091536.db2.gz HWXCDSSPPDGKKC-AWEZNQCLSA-N 0 1 409.456 4.482 20 0 HIADMN Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000426119512 856119525 /nfs/dbraw/zinc/11/95/25/856119525.db2.gz KCYZHGRPMLIQBE-QGZVFWFLSA-N 0 1 401.601 4.367 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)C[C@@H](C)c3c[nH]c4ccccc43)n2)c(OC)c1 ZINC000426126953 856124999 /nfs/dbraw/zinc/12/49/99/856124999.db2.gz KSMOLSTVOXCOGY-CYBMUJFWSA-N 0 1 405.458 4.103 20 0 HIADMN Cc1nc([C@@H](C)N2CC[C@H](C(=O)NCC(F)(F)F)C2)oc1-c1ccc(Cl)cc1 ZINC000426146755 856138870 /nfs/dbraw/zinc/13/88/70/856138870.db2.gz YRCBEJJPJVBSCB-OCCSQVGLSA-N 0 1 415.843 4.365 20 0 HIADMN Cc1nc([C@H](C)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)oc1-c1ccc(Cl)cc1 ZINC000426146753 856139125 /nfs/dbraw/zinc/13/91/25/856139125.db2.gz YRCBEJJPJVBSCB-GXTWGEPZSA-N 0 1 415.843 4.365 20 0 HIADMN CCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[C@@H](C)Cc1ccsc1 ZINC000426178225 856157660 /nfs/dbraw/zinc/15/76/60/856157660.db2.gz YXMIHICFGYGEOV-SFHVURJKSA-N 0 1 400.592 4.293 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000426235928 856194246 /nfs/dbraw/zinc/19/42/46/856194246.db2.gz DMFYJMOADBWZLC-WOJBJXKFSA-N 0 1 405.970 4.268 20 0 HIADMN COc1cccc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)c1OC1CCCC1 ZINC000426262637 856208211 /nfs/dbraw/zinc/20/82/11/856208211.db2.gz GAJHYDDTTJXTSZ-UHFFFAOYSA-N 0 1 407.514 4.450 20 0 HIADMN Cc1nc(CCCC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000426281962 856218621 /nfs/dbraw/zinc/21/86/21/856218621.db2.gz FVZJAAUYAUFZPL-QGZVFWFLSA-N 0 1 411.493 4.184 20 0 HIADMN C[C@@H](NCc1cc2ccccc2n(C)c1=O)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000426297402 856229736 /nfs/dbraw/zinc/22/97/36/856229736.db2.gz ZTOCAKNYELRJTF-DYESRHJHSA-N 0 1 424.516 4.476 20 0 HIADMN COc1ccc([C@H](C)NCc2cc(C)nc(N3CCCC3)n2)cc1Br ZINC000426327321 856247423 /nfs/dbraw/zinc/24/74/23/856247423.db2.gz RSRGNKWIDVMQBZ-AWEZNQCLSA-N 0 1 405.340 4.007 20 0 HIADMN Cc1cc(CN[C@H](c2ccc(Br)s2)C2CC2)nc(N2CCCC2)n1 ZINC000426334070 856250672 /nfs/dbraw/zinc/25/06/72/856250672.db2.gz WRYQMOMMWAVVRA-KRWDZBQOSA-N 0 1 407.381 4.450 20 0 HIADMN COC(=O)c1nc(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)sc1C(C)C ZINC000426367217 856261685 /nfs/dbraw/zinc/26/16/85/856261685.db2.gz SQSIOVSESGRGFI-UHFFFAOYSA-N 0 1 414.487 4.013 20 0 HIADMN CCN(Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@H](C)Cc1ccsc1 ZINC000426457506 856300937 /nfs/dbraw/zinc/30/09/37/856300937.db2.gz GWJROMRDEFHMEA-CQSZACIVSA-N 0 1 417.531 4.277 20 0 HIADMN CC[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(Cl)s1 ZINC000426469957 856308672 /nfs/dbraw/zinc/30/86/72/856308672.db2.gz JQPBRBYLFQTQBP-FGTMMUONSA-N 0 1 421.994 4.035 20 0 HIADMN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000426491253 856318238 /nfs/dbraw/zinc/31/82/38/856318238.db2.gz GPXZLLVKOYLUTR-HXUWFJFHSA-N 0 1 423.561 4.243 20 0 HIADMN COCCN(Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1)[C@H]1CCOC1 ZINC000426529275 856336278 /nfs/dbraw/zinc/33/62/78/856336278.db2.gz AHBFZHBMVFCMOR-FQEVSTJZSA-N 0 1 405.922 4.165 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N(Cc3nc4ccccc4c(=O)[nH]3)C(C)C)n[nH]2)c(C)c1 ZINC000426635325 856385374 /nfs/dbraw/zinc/38/53/74/856385374.db2.gz WNWDWXXMLRDJGE-UHFFFAOYSA-N 0 1 415.497 4.393 20 0 HIADMN CCc1nc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)ccc1C(=O)[O-] ZINC000426648885 856393398 /nfs/dbraw/zinc/39/33/98/856393398.db2.gz UKFNCPDNISPOPW-UHFFFAOYSA-N 0 1 412.921 4.147 20 0 HIADMN Cc1nc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)sc1C(=O)[O-] ZINC000426679269 856408457 /nfs/dbraw/zinc/40/84/57/856408457.db2.gz HHKYBSCZNAOXRS-UHFFFAOYSA-N 0 1 424.551 4.413 20 0 HIADMN Cc1nc(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)sc1C(=O)[O-] ZINC000426702863 856420492 /nfs/dbraw/zinc/42/04/92/856420492.db2.gz DCBDRRQPOQPOKR-UHFFFAOYSA-N 0 1 424.345 4.326 20 0 HIADMN Cc1nc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)sc1C(=O)[O-] ZINC000426704182 856422443 /nfs/dbraw/zinc/42/24/43/856422443.db2.gz JJXDFHGNVBALNN-UHFFFAOYSA-N 0 1 415.902 4.345 20 0 HIADMN O=C(NCc1cccc(NC(=O)[C@H]2CCCN2C2CC2)c1)Nc1ccccc1Cl ZINC000426710307 856426098 /nfs/dbraw/zinc/42/60/98/856426098.db2.gz ININGRIRCBKGEV-HXUWFJFHSA-N 0 1 412.921 4.227 20 0 HIADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000426716674 856430962 /nfs/dbraw/zinc/43/09/62/856430962.db2.gz WYCZUTIZWOREHC-UHFFFAOYSA-N 0 1 418.291 4.339 20 0 HIADMN COc1cccc(OC)c1OC[C@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000426724155 856435500 /nfs/dbraw/zinc/43/55/00/856435500.db2.gz PXBIJDYWQIVOOO-TZMCWYRMSA-N 0 1 400.302 4.101 20 0 HIADMN CSCC[C@H](NC(=O)CCc1nc2cccc(C)c2[nH]1)c1nc2ccccc2[nH]1 ZINC000426730632 856439323 /nfs/dbraw/zinc/43/93/23/856439323.db2.gz APHKAUYJIRWFPW-SFHVURJKSA-N 0 1 407.543 4.291 20 0 HIADMN O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000426736643 856444509 /nfs/dbraw/zinc/44/45/09/856444509.db2.gz JUSYEXOCAAAUPU-LJQANCHMSA-N 0 1 412.436 4.220 20 0 HIADMN Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](CN2CCCc3ccccc32)C(=O)[O-])o1 ZINC000426744998 856449923 /nfs/dbraw/zinc/44/99/23/856449923.db2.gz SDHYNVBNCAXXDM-OAQYLSRUSA-N 0 1 408.473 4.390 20 0 HIADMN O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000426752647 856456155 /nfs/dbraw/zinc/45/61/55/856456155.db2.gz ASGUPZDFIPXILU-UZUQRXQVSA-N 0 1 403.507 4.187 20 0 HIADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426765647 856466646 /nfs/dbraw/zinc/46/66/46/856466646.db2.gz QUSBWYKDLVGEFG-QFIPXVFZSA-N 0 1 420.569 4.003 20 0 HIADMN C[C@@H](c1cccnc1)N1CCC(Oc2ccccc2I)CC1 ZINC000426773971 856470390 /nfs/dbraw/zinc/47/03/90/856470390.db2.gz RTHSYASFFFNGBM-AWEZNQCLSA-N 0 1 408.283 4.291 20 0 HIADMN C[C@@H](NC(=O)CN1CCC(OC[C@@H]2CCCCO2)CC1)c1ccc2ccccc2c1 ZINC000426787252 856477978 /nfs/dbraw/zinc/47/79/78/856477978.db2.gz CMOUMCNURRBZIP-DVECYGJZSA-N 0 1 410.558 4.067 20 0 HIADMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(-c3ccncc3)cc2F)c1OC ZINC000426815412 856494532 /nfs/dbraw/zinc/49/45/32/856494532.db2.gz FMSQWTZAFDVJOI-FQEVSTJZSA-N 0 1 410.445 4.211 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)N[C@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000426839648 856507298 /nfs/dbraw/zinc/50/72/98/856507298.db2.gz FBJDEHRFISZJAW-KWBADKCTSA-N 0 1 424.368 4.288 20 0 HIADMN Cc1cccc(Cc2cnc(NC(=O)c3ccc(CN(C)C)nc3)s2)c1Cl ZINC000426873607 856522070 /nfs/dbraw/zinc/52/20/70/856522070.db2.gz GIOYZHKEXDRPDQ-UHFFFAOYSA-N 0 1 400.935 4.405 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2nc(-c3ccccc3F)cs2)n[nH]1 ZINC000426901308 856533583 /nfs/dbraw/zinc/53/35/83/856533583.db2.gz QUJORMRNNPDSKM-VXGBXAGGSA-N 0 1 402.499 4.141 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4cc(C)[nH]n4)cc3)[nH]n2)cc1OC ZINC000426906982 856536221 /nfs/dbraw/zinc/53/62/21/856536221.db2.gz KVXWUGFRULJXBH-UHFFFAOYSA-N 0 1 419.441 4.170 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)n[nH]1 ZINC000437436922 862807755 /nfs/dbraw/zinc/80/77/55/862807755.db2.gz DTFAXIUZHSUQCV-OAHLLOKOSA-N 0 1 412.484 4.081 20 0 HIADMN COc1cccc(Oc2ncccc2CNC(=O)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000426923642 856543645 /nfs/dbraw/zinc/54/36/45/856543645.db2.gz BZZOMWWTQKZCSE-UHFFFAOYSA-N 0 1 416.481 4.316 20 0 HIADMN O=C(c1cc2ccccc2n1CC(F)(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000426926891 856545179 /nfs/dbraw/zinc/54/51/79/856545179.db2.gz RCXYLRJKWSUJMO-OAHLLOKOSA-N 0 1 417.435 4.219 20 0 HIADMN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000426965656 856567235 /nfs/dbraw/zinc/56/72/35/856567235.db2.gz VGOMRLGEIWLTBK-LIVBEALHSA-N 0 1 420.966 4.118 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3C[C@H](c4ccc(F)cc4)C[C@H]3C)cs2)c1C ZINC000426997447 856586735 /nfs/dbraw/zinc/58/67/35/856586735.db2.gz KZPLNRCEKMUXHN-CXAGYDPISA-N 0 1 412.534 4.038 20 0 HIADMN O=C(CC1CCCC1)N1CCCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000427002280 856589326 /nfs/dbraw/zinc/58/93/26/856589326.db2.gz WLSVNVSCMOZUTR-UHFFFAOYSA-N 0 1 420.966 4.046 20 0 HIADMN CCc1c(C(=O)Nc2cccc3c2CN(CC(C)C)C3)nnn1Cc1ccc(F)cc1 ZINC000427055493 856612786 /nfs/dbraw/zinc/61/27/86/856612786.db2.gz VVVAYYZLCGAGQT-UHFFFAOYSA-N 0 1 421.520 4.252 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)Nc4ccncc4)c3)[nH]n2)c(C)c1 ZINC000427108526 856642789 /nfs/dbraw/zinc/64/27/89/856642789.db2.gz QWEJMIPBFSHRJD-UHFFFAOYSA-N 0 1 411.465 4.015 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2C(F)(F)F)cn1 ZINC000427107289 856642900 /nfs/dbraw/zinc/64/29/00/856642900.db2.gz JTBFEYXXTLGTBW-UHFFFAOYSA-N 0 1 421.423 4.029 20 0 HIADMN CCN(CCNC(=O)c1c(C)onc1-c1ccccc1Cl)CCC(F)(F)F 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O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000427799386 856960488 /nfs/dbraw/zinc/96/04/88/856960488.db2.gz FDDGERAGYPJXJP-UHFFFAOYSA-N 0 1 414.465 4.314 20 0 HIADMN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1 ZINC000427802661 856961471 /nfs/dbraw/zinc/96/14/71/856961471.db2.gz UXVXHICYRMXWTA-UHFFFAOYSA-N 0 1 405.479 4.276 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cn1 ZINC000427821704 856969851 /nfs/dbraw/zinc/96/98/51/856969851.db2.gz XOTNJVXRERFUCA-UHFFFAOYSA-N 0 1 418.482 4.093 20 0 HIADMN C[C@H](N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)[C@H]1OCCc2sccc21 ZINC000427826969 856972406 /nfs/dbraw/zinc/97/24/06/856972406.db2.gz KWYAGRKYGRKCBM-XLWVJDPXSA-N 0 1 410.461 4.164 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000427852218 856982388 /nfs/dbraw/zinc/98/23/88/856982388.db2.gz FFVKXGSYSJELTQ-JMERFSKESA-N 0 1 408.951 4.338 20 0 HIADMN CCOc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(Cl)c1[O-] ZINC000427900704 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Cc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1Br ZINC000428542216 857252513 /nfs/dbraw/zinc/25/25/13/857252513.db2.gz XIYAWUQNZOPNFY-UHFFFAOYSA-N 0 1 402.741 4.104 20 0 HIADMN OC[C@@H](CNCc1coc(-c2ccccc2)n1)Cc1cccc(Br)c1 ZINC000428549726 857258405 /nfs/dbraw/zinc/25/84/05/857258405.db2.gz UAIXDZCKSNWBTB-MRXNPFEDSA-N 0 1 401.304 4.045 20 0 HIADMN CS(=O)(=O)c1ccc(CNCc2ccc(Cl)c(Br)c2)cc1Cl ZINC000428554166 857263898 /nfs/dbraw/zinc/26/38/98/857263898.db2.gz ZOCXZKZXSPKCBT-UHFFFAOYSA-N 0 1 423.159 4.449 20 0 HIADMN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)c1ccc(Cl)s1 ZINC000428710774 857305373 /nfs/dbraw/zinc/30/53/73/857305373.db2.gz MUHULGMTSNWRGV-UHFFFAOYSA-N 0 1 418.868 4.193 20 0 HIADMN C[C@]12CCN([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3=O)C[C@H]1C2(F)F ZINC000428747588 857316588 /nfs/dbraw/zinc/31/65/88/857316588.db2.gz JTPOYIMLGKQXFB-NUJGCVRESA-N 0 1 402.407 4.174 20 0 HIADMN Cc1ccc(C)c(CN(C)C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000428749317 857317358 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O=C(Nc1ccc(F)cc1OC(F)F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000438691408 864158720 /nfs/dbraw/zinc/15/87/20/864158720.db2.gz IPAVEWNNGXPECQ-UHFFFAOYSA-N 0 1 411.399 4.352 20 0 HIADMN Cc1ccc(CN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C(C)C)s1 ZINC000438701159 864175998 /nfs/dbraw/zinc/17/59/98/864175998.db2.gz WEJAQKPRTACOBM-UHFFFAOYSA-N 0 1 406.458 4.246 20 0 HIADMN Cc1csc(-c2cccc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3Cl)c2)n1 ZINC000438762131 864257407 /nfs/dbraw/zinc/25/74/07/864257407.db2.gz VAWTYGKGNZVRGM-UHFFFAOYSA-N 0 1 421.887 4.007 20 0 HIADMN O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C(=O)c1ccc([O-])cc1 ZINC000438764447 864259329 /nfs/dbraw/zinc/25/93/29/864259329.db2.gz KLLPXHAKSULLHE-UHFFFAOYSA-N 0 1 414.505 4.154 20 0 HIADMN O=C(CCN1CCN(c2cccc(O)c2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000438791618 864284265 /nfs/dbraw/zinc/28/42/65/864284265.db2.gz NKJIPKOYTDHZNO-UHFFFAOYSA-N 0 1 417.509 4.335 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(C)C)c2)c(Br)c1 ZINC000438798107 864289793 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CC(C)Oc1cccc([C@H](C)NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000438962079 864429819 /nfs/dbraw/zinc/42/98/19/864429819.db2.gz BTSLIKYHZAAKFB-OALUTQOASA-N 0 1 410.562 4.455 20 0 HIADMN CCN(C(=O)CN(C)C1CCN(c2ccccc2)CC1)c1nc2ccccc2s1 ZINC000438997489 864453010 /nfs/dbraw/zinc/45/30/10/864453010.db2.gz HHATZNGAZICINE-UHFFFAOYSA-N 0 1 408.571 4.250 20 0 HIADMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000439001372 864454901 /nfs/dbraw/zinc/45/49/01/864454901.db2.gz XUZPQCMRSXHIGI-SIUPPRGNSA-N 0 1 405.539 4.026 20 0 HIADMN CC(C)(C)c1ccc(S(=O)(=O)CCN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000439003567 864456636 /nfs/dbraw/zinc/45/66/36/864456636.db2.gz OYQITSMWHBODFS-YPAWHYETSA-N 0 1 407.620 4.163 20 0 HIADMN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000439004244 864458716 /nfs/dbraw/zinc/45/87/16/864458716.db2.gz CUPQZYOOTZUUKC-UHFFFAOYSA-N 0 1 421.464 4.280 20 0 HIADMN CCN(C(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1nc2ccccc2s1 ZINC000439006266 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ZINC000447564772 871459677 /nfs/dbraw/zinc/45/96/77/871459677.db2.gz HHGIXAUVZBSYAE-JPYJTQIMSA-N 0 1 410.949 4.430 20 0 HIADMN Cc1c([C@H](C)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)cnn1C(C)C ZINC000447565684 871460761 /nfs/dbraw/zinc/46/07/61/871460761.db2.gz NBERNIXLEQVBDI-LBPRGKRZSA-N 0 1 403.470 4.046 20 0 HIADMN COc1ccccc1[C@@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1Cl ZINC000447567815 871466742 /nfs/dbraw/zinc/46/67/42/871466742.db2.gz FKEMZRYEOGIOQZ-HXOBKFHXSA-N 0 1 410.949 4.430 20 0 HIADMN Cc1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1S(C)(=O)=O ZINC000447581683 871484865 /nfs/dbraw/zinc/48/48/65/871484865.db2.gz UTJFOZXNHJFWGA-QGZVFWFLSA-N 0 1 424.360 4.165 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@](C)(c4ccc(C)cc4)C3)n2)cc1 ZINC000447697820 871639710 /nfs/dbraw/zinc/63/97/10/871639710.db2.gz ZTCXYOGPZXMZSF-QHCPKHFHSA-N 0 1 406.555 4.371 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)CSCC(=O)c3ccc(Cl)cc3)cccc21 ZINC000447722029 871666328 /nfs/dbraw/zinc/66/63/28/871666328.db2.gz IBGJWHIUFRBFAM-SFHVURJKSA-N 0 1 418.946 4.280 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)cccc21 ZINC000447724875 871672024 /nfs/dbraw/zinc/67/20/24/871672024.db2.gz YZXJKUBYVAXWJH-JOCHJYFZSA-N 0 1 415.493 4.321 20 0 HIADMN CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)c(C)c1 ZINC000468524976 882538939 /nfs/dbraw/zinc/53/89/39/882538939.db2.gz SLFUAIJCTOYIGL-CQSZACIVSA-N 0 1 413.923 4.262 20 0 HIADMN CO[C@H]1CCOc2c(NS(=O)(=O)c3ccc(OC(F)F)c(Cl)c3)cccc21 ZINC000447781473 871711017 /nfs/dbraw/zinc/71/10/17/871711017.db2.gz UGWFINGHZDBMSS-AWEZNQCLSA-N 0 1 419.833 4.212 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)cc1OC ZINC000447781423 871712113 /nfs/dbraw/zinc/71/21/13/871712113.db2.gz CELDDOJQROQMCP-UHFFFAOYSA-N 0 1 408.863 4.121 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)cc1OC ZINC000447789523 871724283 /nfs/dbraw/zinc/72/42/83/871724283.db2.gz UZEDVSDKYYIQDV-UHFFFAOYSA-N 0 1 409.891 4.141 20 0 HIADMN CCOc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)cc1Cl ZINC000447792830 871729202 /nfs/dbraw/zinc/72/92/02/871729202.db2.gz ADJSZRIMFJPABK-UHFFFAOYSA-N 0 1 406.287 4.210 20 0 HIADMN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000447793826 871729782 /nfs/dbraw/zinc/72/97/82/871729782.db2.gz FXRVZVGOADLJNF-NSHDSACASA-N 0 1 418.412 4.174 20 0 HIADMN COc1cc(CN[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1C ZINC000447824137 871754889 /nfs/dbraw/zinc/75/48/89/871754889.db2.gz XNSOTILRWDPLRM-IBGZPJMESA-N 0 1 406.448 4.476 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000447829061 871757424 /nfs/dbraw/zinc/75/74/24/871757424.db2.gz RQFKAJJNFVVDCF-LJQANCHMSA-N 0 1 414.941 4.025 20 0 HIADMN COc1ccccc1-c1ccc([C@H](C)N(C)[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000447853983 871774766 /nfs/dbraw/zinc/77/47/66/871774766.db2.gz JPYYANDGFCURHP-FDDCHVKYSA-N 0 1 408.542 4.135 20 0 HIADMN CC(C)(C)c1cnc(CNC[C@@H](CO)Cc2ccccc2OC(F)(F)F)s1 ZINC000447927426 871816159 /nfs/dbraw/zinc/81/61/59/871816159.db2.gz FETXNOMCXQLMCJ-ZDUSSCGKSA-N 0 1 402.482 4.280 20 0 HIADMN FC(F)(F)c1cccnc1N1CCC[C@@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000447949027 871819939 /nfs/dbraw/zinc/81/99/39/871819939.db2.gz UJBSTJYZACZJCJ-CQSZACIVSA-N 0 1 414.391 4.182 20 0 HIADMN CCOc1c(Br)cc(-c2nc(-c3ccn4cncc4c3)no2)cc1OC ZINC000447948720 871820367 /nfs/dbraw/zinc/82/03/67/871820367.db2.gz QVAMJDSLMRSSNF-UHFFFAOYSA-N 0 1 415.247 4.221 20 0 HIADMN Cc1nc(-c2nc(-c3ccn4cncc4c3)no2)nn1-c1c(Cl)cccc1Cl ZINC000447956661 871824121 /nfs/dbraw/zinc/82/41/21/871824121.db2.gz VKJAIFHXCYZTBO-UHFFFAOYSA-N 0 1 412.240 4.247 20 0 HIADMN Cc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccn5cncc5c4)no3)C2)c1 ZINC000447956530 871824361 /nfs/dbraw/zinc/82/43/61/871824361.db2.gz VIIPZGACYWBCTN-KRWDZBQOSA-N 0 1 402.458 4.104 20 0 HIADMN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448030234 871868131 /nfs/dbraw/zinc/86/81/31/871868131.db2.gz RWORKXJWNMKMJX-WZONZLPQSA-N 0 1 420.557 4.044 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1cccc(N2CCC2=O)c1)c1ccccc1Cl ZINC000448057194 871886431 /nfs/dbraw/zinc/88/64/31/871886431.db2.gz AUDVLECJMRJIMY-FQEVSTJZSA-N 0 1 414.937 4.281 20 0 HIADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 ZINC000448125115 871998218 /nfs/dbraw/zinc/99/82/18/871998218.db2.gz DOFVACVEQDDYAC-UHFFFAOYSA-N 0 1 405.369 4.160 20 0 HIADMN Cc1ccc2cc(C(=O)NCc3n[nH]c(-c4ccc(Br)cc4)n3)ccc2n1 ZINC000448141660 872016875 /nfs/dbraw/zinc/01/68/75/872016875.db2.gz GEBKIZALKLNART-UHFFFAOYSA-N 0 1 422.286 4.021 20 0 HIADMN Cc1ccc2cc(C(=O)NCc3nc(-c4ccc(Br)cc4)n[nH]3)ccc2n1 ZINC000448141660 872016882 /nfs/dbraw/zinc/01/68/82/872016882.db2.gz GEBKIZALKLNART-UHFFFAOYSA-N 0 1 422.286 4.021 20 0 HIADMN CC(C)C[N@@H+]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000448159828 872037043 /nfs/dbraw/zinc/03/70/43/872037043.db2.gz LTVDJDVMHDQLBM-CYBMUJFWSA-N 0 1 412.905 4.005 20 0 HIADMN CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000448159828 872037058 /nfs/dbraw/zinc/03/70/58/872037058.db2.gz LTVDJDVMHDQLBM-CYBMUJFWSA-N 0 1 412.905 4.005 20 0 HIADMN CCCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)c1 ZINC000468542057 882580864 /nfs/dbraw/zinc/58/08/64/882580864.db2.gz JILGCTTYTOAFCS-CQSZACIVSA-N 0 1 413.923 4.343 20 0 HIADMN CCCCn1ncc(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1C ZINC000448309822 872240065 /nfs/dbraw/zinc/24/00/65/872240065.db2.gz XIEQUPXYPRVDHA-NRFANRHFSA-N 0 1 413.566 4.349 20 0 HIADMN C[C@@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC2(CCOCC2)O1 ZINC000448357469 872307171 /nfs/dbraw/zinc/30/71/71/872307171.db2.gz WVNFCMNHHQOACS-OAQYLSRUSA-N 0 1 417.553 4.368 20 0 HIADMN CC(C)(CNC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccccc1Br ZINC000448474629 872458563 /nfs/dbraw/zinc/45/85/63/872458563.db2.gz XAKWEXVSCIBOHL-UHFFFAOYSA-N 0 1 405.340 4.039 20 0 HIADMN O=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1ccc(F)c(F)c1 ZINC000448536021 872532336 /nfs/dbraw/zinc/53/23/36/872532336.db2.gz ABVPIGHSRQADQV-UHFFFAOYSA-N 0 1 415.215 4.183 20 0 HIADMN CN(C)Cc1ccsc1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000468572246 882636671 /nfs/dbraw/zinc/63/66/71/882636671.db2.gz SXAGWLIKQMHHRZ-QGZVFWFLSA-N 0 1 422.392 4.289 20 0 HIADMN COc1cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc(Cl)c1[O-] ZINC000460184320 872748594 /nfs/dbraw/zinc/74/85/94/872748594.db2.gz KIVPDXMQUPLJFW-UHFFFAOYSA-N 0 1 402.922 4.360 20 0 HIADMN COc1cc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc(Cl)c1[O-] ZINC000460206473 872788224 /nfs/dbraw/zinc/78/82/24/872788224.db2.gz OHRKSVUHFAGTSK-UHFFFAOYSA-N 0 1 423.340 4.350 20 0 HIADMN CC1=CCN(CCNC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000460220582 872806485 /nfs/dbraw/zinc/80/64/85/872806485.db2.gz ITNNIVZRIJLUAG-QGZVFWFLSA-N 0 1 424.408 4.279 20 0 HIADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CC=C(c2cccc(Br)c2)CC1 ZINC000460267358 872856930 /nfs/dbraw/zinc/85/69/30/872856930.db2.gz VIVQKRBILSIGDQ-KRWDZBQOSA-N 0 1 401.308 4.049 20 0 HIADMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000468580778 882658561 /nfs/dbraw/zinc/65/85/61/882658561.db2.gz IMAGTRWQLBPSEO-UHFFFAOYSA-N 0 1 400.486 4.032 20 0 HIADMN CO[C@@H](CNC(=O)c1ccc(CN2CCSCC2)cc1)c1ccc(Cl)cc1 ZINC000460304225 872893507 /nfs/dbraw/zinc/89/35/07/872893507.db2.gz IOFFZSPHITTWID-FQEVSTJZSA-N 0 1 404.963 4.006 20 0 HIADMN Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)c(-n2cc(Cl)cn2)n1 ZINC000468585622 882667419 /nfs/dbraw/zinc/66/74/19/882667419.db2.gz DPFYBSMHMCKJPU-UHFFFAOYSA-N 0 1 419.312 4.334 20 0 HIADMN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000468587359 882670792 /nfs/dbraw/zinc/67/07/92/882670792.db2.gz OPRWDAOAKVSADZ-UHFFFAOYSA-N 0 1 411.509 4.342 20 0 HIADMN COc1ccc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)c(OC(F)F)c1 ZINC000468594327 882681697 /nfs/dbraw/zinc/68/16/97/882681697.db2.gz FPJKZJGMNNERMX-UHFFFAOYSA-N 0 1 408.836 4.129 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000460517987 873207403 /nfs/dbraw/zinc/20/74/03/873207403.db2.gz FTLWUAINMVGUHW-LBPRGKRZSA-N 0 1 419.407 4.060 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 ZINC000460517987 873207418 /nfs/dbraw/zinc/20/74/18/873207418.db2.gz FTLWUAINMVGUHW-LBPRGKRZSA-N 0 1 419.407 4.060 20 0 HIADMN O=S(=O)([C@H]1CCN(Cc2ccccc2)C1)N(Cc1ccc(C(F)F)cc1)C1CC1 ZINC000460666603 873411434 /nfs/dbraw/zinc/41/14/34/873411434.db2.gz DRHSPLPXFQWZAR-NRFANRHFSA-N 0 1 420.525 4.193 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000460723115 873524388 /nfs/dbraw/zinc/52/43/88/873524388.db2.gz VSVLISKSPQMXER-WOJBJXKFSA-N 0 1 411.550 4.105 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000460737847 873559703 /nfs/dbraw/zinc/55/97/03/873559703.db2.gz QKPLUGINNOJMDL-WOJBJXKFSA-N 0 1 404.341 4.273 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)c2cc(C)cc(C)c2Br)CC1 ZINC000460758842 873599889 /nfs/dbraw/zinc/59/98/89/873599889.db2.gz SKCCOCZYKZXPPR-UHFFFAOYSA-N 0 1 416.363 4.460 20 0 HIADMN Cc1cccnc1C(C)(C)CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000460878708 873789084 /nfs/dbraw/zinc/78/90/84/873789084.db2.gz FOJDEWFVYOQSHY-GOSISDBHSA-N 0 1 422.495 4.289 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)n2)cc1 ZINC000460885189 873797046 /nfs/dbraw/zinc/79/70/46/873797046.db2.gz UHESPHTVJOIYTG-IAGOWNOFSA-N 0 1 417.296 4.207 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H]3c3cc(Cl)cc(Cl)c3)n[nH]2)cc1 ZINC000460885189 873797049 /nfs/dbraw/zinc/79/70/49/873797049.db2.gz UHESPHTVJOIYTG-IAGOWNOFSA-N 0 1 417.296 4.207 20 0 HIADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000460886983 873800307 /nfs/dbraw/zinc/80/03/07/873800307.db2.gz XIYLFRNYVVWQCS-UHFFFAOYSA-N 0 1 402.498 4.321 20 0 HIADMN CC(C)c1ccc(C[C@H]2CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000460904671 873813795 /nfs/dbraw/zinc/81/37/95/873813795.db2.gz BOSKDYXOCHUQCC-JOCHJYFZSA-N 0 1 420.601 4.444 20 0 HIADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(OCc2ccccn2)cc1 ZINC000460951833 873850723 /nfs/dbraw/zinc/85/07/23/873850723.db2.gz YLTOROFHJZNUQT-UHFFFAOYSA-N 0 1 419.550 4.462 20 0 HIADMN O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000460955148 873852805 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C[C@@H](c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1cccc(Br)c1 ZINC000463049152 876077161 /nfs/dbraw/zinc/07/71/61/876077161.db2.gz QKBJBZISHBERJW-GFCCVEGCSA-N 0 1 410.275 4.360 20 0 HIADMN CCc1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1Br ZINC000468930716 882994881 /nfs/dbraw/zinc/99/48/81/882994881.db2.gz KCILUUQZTDZOOK-UHFFFAOYSA-N 0 1 424.726 4.123 20 0 HIADMN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2nc3ccc(Br)cc3o2)C1 ZINC000463074887 876105484 /nfs/dbraw/zinc/10/54/84/876105484.db2.gz UYZBQDPQHBIWKQ-KBPBESRZSA-N 0 1 408.340 4.107 20 0 HIADMN C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000463105523 876143175 /nfs/dbraw/zinc/14/31/75/876143175.db2.gz LNHLRBZTRHOLDS-SLFFLAALSA-N 0 1 412.549 4.320 20 0 HIADMN CCCOc1ccc(CCC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000463106367 876143323 /nfs/dbraw/zinc/14/33/23/876143323.db2.gz QDUXNZLTIGRBME-SFTDATJTSA-N 0 1 424.585 4.334 20 0 HIADMN CC(C)n1cnnc1[C@H]1CCCN(Cc2nc3ccc(Br)cc3o2)C1 ZINC000463106678 876144916 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4.047 20 0 HIADMN CC(C)C[C@@H]1C[C@@H](c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)CC(=O)N1 ZINC000463185990 876243321 /nfs/dbraw/zinc/24/33/21/876243321.db2.gz ZPXZMYZTWHRNLO-ZIAGYGMSSA-N 0 1 422.514 4.145 20 0 HIADMN CN(C)C(=O)c1ccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cc1 ZINC000463187308 876246061 /nfs/dbraw/zinc/24/60/61/876246061.db2.gz ZLSRFSDQSOAAKX-UHFFFAOYSA-N 0 1 416.466 4.105 20 0 HIADMN C[C@@H](NC(=O)NCc1ccc(C(F)F)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000463198278 876258702 /nfs/dbraw/zinc/25/87/02/876258702.db2.gz MGKNVRTVKGOFNP-OAHLLOKOSA-N 0 1 420.479 4.076 20 0 HIADMN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1nc2ccc(Br)cc2o1 ZINC000463204822 876265658 /nfs/dbraw/zinc/26/56/58/876265658.db2.gz KXMIMEDJRXJQLJ-BBRMVZONSA-N 0 1 417.303 4.100 20 0 HIADMN CC(=O)Nc1cc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)ccc1F ZINC000463205192 876266537 /nfs/dbraw/zinc/26/65/37/876266537.db2.gz LRASXFWRVHTALA-UHFFFAOYSA-N 0 1 404.348 4.028 20 0 HIADMN CN(CCc1nc(-c2ccccc2)no1)Cc1nc2ccc(Br)cc2o1 ZINC000463206892 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O=C1[C@@H](N[C@H]2CCSc3ccc(F)cc32)CCCN1Cc1ccc(F)cc1F ZINC000468964428 883030424 /nfs/dbraw/zinc/03/04/24/883030424.db2.gz JSKJAECNFVQDRH-OALUTQOASA-N 0 1 406.473 4.422 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)N(C)CCc2cccc(Br)c2)cc1F ZINC000463405049 876459435 /nfs/dbraw/zinc/45/94/35/876459435.db2.gz NXKPGXQVUQXTBS-UHFFFAOYSA-N 0 1 422.342 4.034 20 0 HIADMN CCO[C@H](C)c1ncc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000463429086 876483375 /nfs/dbraw/zinc/48/33/75/876483375.db2.gz IJTOJMHKYPBNDT-CQSZACIVSA-N 0 1 407.967 4.288 20 0 HIADMN Cc1sc2nc([C@@H](C)N3CCC[C@](CO)(Cc4ccccc4)C3)nc(N)c2c1C ZINC000463431587 876487853 /nfs/dbraw/zinc/48/78/53/876487853.db2.gz QYEHLWYXPRFUAO-MWTRTKDXSA-N 0 1 410.587 4.269 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(SCCCS(=O)(=O)c3cccc(C)c3)n2)o1 ZINC000463435276 876491677 /nfs/dbraw/zinc/49/16/77/876491677.db2.gz JQLAOLBLWHDSCA-MDZDMXLPSA-N 0 1 403.529 4.141 20 0 HIADMN CN(CC(=O)N(Cc1ccco1)CC(F)(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463436783 876493968 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O=C(Nc1ccc(-c2cncnc2)cc1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000463697029 876816822 /nfs/dbraw/zinc/81/68/22/876816822.db2.gz POSAQQQMZAGXRO-UHFFFAOYSA-N 0 1 407.380 4.387 20 0 HIADMN CC1(C)CN(C2(CNC(=O)c3cccc(-c4cscn4)c3)CCCCC2)CCO1 ZINC000463760658 876883928 /nfs/dbraw/zinc/88/39/28/876883928.db2.gz QFYSDNGSSXWRNN-UHFFFAOYSA-N 0 1 413.587 4.354 20 0 HIADMN COc1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1OC(C)C ZINC000463787872 876906327 /nfs/dbraw/zinc/90/63/27/876906327.db2.gz LTCYCQRMIAZFBA-UHFFFAOYSA-N 0 1 407.385 4.441 20 0 HIADMN COc1cc(NS(=O)(=O)c2cc(Br)sc2C)ccc1OC(C)C ZINC000463788046 876906471 /nfs/dbraw/zinc/90/64/71/876906471.db2.gz IMEYDYLWBPKBDY-UHFFFAOYSA-N 0 1 420.350 4.416 20 0 HIADMN Cc1nn(C)c2cc(NC(=O)N3CCN(Cc4cccc5ccccc54)CC3)ccc12 ZINC000463841469 876963057 /nfs/dbraw/zinc/96/30/57/876963057.db2.gz DYDXFDLEQYUBTD-UHFFFAOYSA-N 0 1 413.525 4.385 20 0 HIADMN Cc1nn(C)c2cc(NC(=O)N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)ccc12 ZINC000463848484 876971841 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20 0 HIADMN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000464182464 877353896 /nfs/dbraw/zinc/35/38/96/877353896.db2.gz DVIDSMKGGCFRLP-UHFFFAOYSA-N 0 1 410.861 4.475 20 0 HIADMN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc(CN2CCSCC2)cc1 ZINC000464309147 877499978 /nfs/dbraw/zinc/49/99/78/877499978.db2.gz WIQUWGDVXSRKPC-QGZVFWFLSA-N 0 1 423.365 4.406 20 0 HIADMN CN(C)[C@H](CNC(=O)N1CC(c2ccccc2F)C1)c1cccc(C(F)(F)F)c1 ZINC000464331524 877522086 /nfs/dbraw/zinc/52/20/86/877522086.db2.gz FFQSWXKDQUHIAN-LJQANCHMSA-N 0 1 409.427 4.256 20 0 HIADMN O=c1ccccn1C[C@H](NCc1cc(F)cc(Br)c1)c1ccccc1 ZINC000503264286 912244588 /nfs/dbraw/zinc/24/45/88/912244588.db2.gz ZGPHINQURKXGFP-IBGZPJMESA-N 0 1 401.279 4.281 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CC(c3ccccc3F)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000464387953 877588681 /nfs/dbraw/zinc/58/86/81/877588681.db2.gz QWKGNNZEQDHQEF-VFNWGFHPSA-N 0 1 419.903 4.420 20 0 HIADMN C[C@@H](CC(F)(F)F)NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000464389777 877592043 /nfs/dbraw/zinc/59/20/43/877592043.db2.gz VLJNVCYLFNYHSJ-ZDUSSCGKSA-N 0 1 411.390 4.264 20 0 HIADMN C[C@@H]1CN(CCCNC(=O)c2c(F)cccc2Sc2ccccc2)C[C@H](C)O1 ZINC000464473625 877694368 /nfs/dbraw/zinc/69/43/68/877694368.db2.gz UTLURZKBLNBSJX-CALCHBBNSA-N 0 1 402.535 4.206 20 0 HIADMN CC(C)CN1CCO[C@@H](CNC(=O)c2c(F)cccc2Sc2ccccc2)C1 ZINC000464477218 877697716 /nfs/dbraw/zinc/69/77/16/877697716.db2.gz ZURWRWKOEGZTIN-KRWDZBQOSA-N 0 1 402.535 4.064 20 0 HIADMN COc1ccccc1S(=O)(=O)CCCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000464500843 877722565 /nfs/dbraw/zinc/72/25/65/877722565.db2.gz XQIJMWQKAUBEJW-MRXNPFEDSA-N 0 1 401.450 4.142 20 0 HIADMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCC(C(F)(F)F)CC1 ZINC000464505534 877728848 /nfs/dbraw/zinc/72/88/48/877728848.db2.gz YVILDWHJCZRUQZ-UHFFFAOYSA-N 0 1 402.214 4.254 20 0 HIADMN C[C@@H]1C[C@H](CC(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC(C)(C)C1 ZINC000464543014 877757716 /nfs/dbraw/zinc/75/77/16/877757716.db2.gz BRVMONZCYYPNRD-WOJBJXKFSA-N 0 1 401.595 4.104 20 0 HIADMN O=C(Cc1csc(-c2ccccn2)n1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464551023 877766734 /nfs/dbraw/zinc/76/67/34/877766734.db2.gz AEITUVQNXOOCRG-UHFFFAOYSA-N 0 1 414.288 4.025 20 0 HIADMN C[C@@H](C(=O)NC1(c2cccc(F)c2)CCOCC1)N1CCC(Cc2ccccc2)CC1 ZINC000464551508 877767367 /nfs/dbraw/zinc/76/73/67/877767367.db2.gz CVLPGYVIDQREDO-FQEVSTJZSA-N 0 1 424.560 4.291 20 0 HIADMN O=C(Cc1csc(-c2cccnc2)n1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464552974 877768738 /nfs/dbraw/zinc/76/87/38/877768738.db2.gz IMQUVVORVAFNBB-UHFFFAOYSA-N 0 1 414.288 4.025 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000464554298 877771429 /nfs/dbraw/zinc/77/14/29/877771429.db2.gz FQYJYWODEGJAGB-UHFFFAOYSA-N 0 1 400.211 4.107 20 0 HIADMN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000464556487 877772915 /nfs/dbraw/zinc/77/29/15/877772915.db2.gz KJWQJJUINSNIPW-QMTHXVAHSA-N 0 1 413.275 4.172 20 0 HIADMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000464556508 877773039 /nfs/dbraw/zinc/77/30/39/877773039.db2.gz KOOSKCVMYBNJNU-QMTHXVAHSA-N 0 1 413.275 4.172 20 0 HIADMN COc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1Br ZINC000503290977 912273737 /nfs/dbraw/zinc/27/37/37/912273737.db2.gz MRSRSYCBCSAKSY-HNNXBMFYSA-N 0 1 415.125 4.043 20 0 HIADMN Cc1c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000464580478 877804052 /nfs/dbraw/zinc/80/40/52/877804052.db2.gz JNAOFOGSMFWNMY-UHFFFAOYSA-N 0 1 415.291 4.369 20 0 HIADMN Cc1ccc(-c2nnc(CN(CCCOc3ccccc3)C3CCOCC3)o2)cc1 ZINC000464585014 877809117 /nfs/dbraw/zinc/80/91/17/877809117.db2.gz KXMWJDFJIIXJEL-UHFFFAOYSA-N 0 1 407.514 4.495 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000464600507 877828871 /nfs/dbraw/zinc/82/88/71/877828871.db2.gz HMGIFTXVEFFRGF-NVXWUHKLSA-N 0 1 414.550 4.190 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000464601735 877830312 /nfs/dbraw/zinc/83/03/12/877830312.db2.gz MLDZIEHAZDDMNV-CYBMUJFWSA-N 0 1 420.941 4.051 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000464620704 877840770 /nfs/dbraw/zinc/84/07/70/877840770.db2.gz QKCMWTMQZXVTQI-OAHLLOKOSA-N 0 1 408.550 4.038 20 0 HIADMN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cn(C(C)(C)C)nc2C)cc1 ZINC000464623734 877842214 /nfs/dbraw/zinc/84/22/14/877842214.db2.gz PBJFIUSDYWROHP-VGSWGCGISA-N 0 1 412.578 4.360 20 0 HIADMN C[C@H](CNC(=O)c1ccc(CN2CCSCC2)cc1)Oc1ccc(Cl)cc1 ZINC000464634158 877851204 /nfs/dbraw/zinc/85/12/04/877851204.db2.gz RYMMCTZTCGLJJH-MRXNPFEDSA-N 0 1 404.963 4.086 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)c2cc(COc3ccccc3F)on2)N2CCCC2)cc1 ZINC000464646495 877865969 /nfs/dbraw/zinc/86/59/69/877865969.db2.gz HMQKXJXLEPYVRO-JOCHJYFZSA-N 0 1 423.488 4.268 20 0 HIADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(COc2ccccc2F)on1 ZINC000464655157 877876616 /nfs/dbraw/zinc/87/66/16/877876616.db2.gz MSOKGQDUYCLYNS-GOSISDBHSA-N 0 1 415.490 4.021 20 0 HIADMN O=C(c1cccc(-c2nnc[nH]2)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000503302991 912286564 /nfs/dbraw/zinc/28/65/64/912286564.db2.gz OHUQTEASBCKQPS-UHFFFAOYSA-N 0 1 418.478 4.151 20 0 HIADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCCC2(C1)CCCCCC2 ZINC000464760461 878000665 /nfs/dbraw/zinc/00/06/65/878000665.db2.gz HUJASJQCUIUJID-QGZVFWFLSA-N 0 1 401.551 4.417 20 0 HIADMN COc1ccc([C@H](NC(=O)CN2CC[C@@H](CSc3ccccc3)C2)C2CC2)cc1 ZINC000464760741 878002268 /nfs/dbraw/zinc/00/22/68/878002268.db2.gz ASNXIRZZZIPLIB-HOYKHHGWSA-N 0 1 410.583 4.377 20 0 HIADMN CC(C)OCc1ccc(CNC(=O)CN2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464765139 878007008 /nfs/dbraw/zinc/00/70/08/878007008.db2.gz JYRHYLRNHCENOE-JOCHJYFZSA-N 0 1 412.599 4.342 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464765226 878007941 /nfs/dbraw/zinc/00/79/41/878007941.db2.gz ZQLHPTXMZPADMZ-RBUKOAKNSA-N 0 1 423.582 4.255 20 0 HIADMN O=C(CN1CC[C@H](CSc2ccccc2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000464776282 878018826 /nfs/dbraw/zinc/01/88/26/878018826.db2.gz TWGGGFPRDTVYAA-SFHVURJKSA-N 0 1 420.525 4.061 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)NCc2cc(C)ccc2OC(F)F)N2CCCC2)o1 ZINC000464808093 878056022 /nfs/dbraw/zinc/05/60/22/878056022.db2.gz VYTLYIWENOVGAV-QGZVFWFLSA-N 0 1 407.461 4.134 20 0 HIADMN Cc1ccc(OC(F)F)c(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000464812610 878064564 /nfs/dbraw/zinc/06/45/64/878064564.db2.gz YEUSGRHSJVMSSY-UHFFFAOYSA-N 0 1 421.463 4.199 20 0 HIADMN O=C(CCN1CCC[C@@H]1c1ccc(I)cc1)Nc1ccccc1 ZINC000464832101 878090722 /nfs/dbraw/zinc/09/07/22/878090722.db2.gz BNLHFXBMMQJXEP-GOSISDBHSA-N 0 1 420.294 4.457 20 0 HIADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@]3(CCOC3)C2)cc1Cl ZINC000464848104 878124450 /nfs/dbraw/zinc/12/44/50/878124450.db2.gz FIYHNFVVXFSJNS-RBBKRZOGSA-N 0 1 400.906 4.141 20 0 HIADMN CCCCOC1CCN(CC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000464854576 878133033 /nfs/dbraw/zinc/13/30/33/878133033.db2.gz KVZUJQHITDMABY-HSZRJFAPSA-N 0 1 402.579 4.420 20 0 HIADMN COC(=O)c1cc(CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C)s1 ZINC000464870743 878157059 /nfs/dbraw/zinc/15/70/59/878157059.db2.gz RXMZCFJUGQYFHN-LJQANCHMSA-N 0 1 418.946 4.444 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)N2CCCC2)o1 ZINC000503338393 912316927 /nfs/dbraw/zinc/31/69/27/912316927.db2.gz DDDRMXFNRRDAJG-FQEVSTJZSA-N 0 1 403.473 4.377 20 0 HIADMN COC(=O)[C@H](C)[C@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000464884266 878177924 /nfs/dbraw/zinc/17/79/24/878177924.db2.gz SVQJLOLHLNUHNV-VLIAUNLRSA-N 0 1 423.340 4.092 20 0 HIADMN CC(C)c1n[nH]c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1Br ZINC000464908230 878223244 /nfs/dbraw/zinc/22/32/44/878223244.db2.gz JFZRZKFQNJVJKV-HNNXBMFYSA-N 0 1 419.367 4.032 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2cc(F)ccc2s1 ZINC000464934158 878263189 /nfs/dbraw/zinc/26/31/89/878263189.db2.gz CABAZSAPLCQSBM-UHFFFAOYSA-N 0 1 413.518 4.443 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000464940080 878273095 /nfs/dbraw/zinc/27/30/95/878273095.db2.gz YXQOSSXHLUWWCG-UHFFFAOYSA-N 0 1 413.905 4.489 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1c[nH]c2c1cccc2CC ZINC000464940081 878273547 /nfs/dbraw/zinc/27/35/47/878273547.db2.gz YYQYSUZFKKBUMU-UHFFFAOYSA-N 0 1 420.557 4.062 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000464941723 878275626 /nfs/dbraw/zinc/27/56/26/878275626.db2.gz UWKKRDPYOFLBCX-UHFFFAOYSA-N 0 1 423.488 4.489 20 0 HIADMN CCCc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)sc1C ZINC000464942081 878277031 /nfs/dbraw/zinc/27/70/31/878277031.db2.gz PMPATGWSIUAZQL-UHFFFAOYSA-N 0 1 401.576 4.412 20 0 HIADMN CCOc1ccc(C(=O)CCC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000464972926 878314022 /nfs/dbraw/zinc/31/40/22/878314022.db2.gz OHWPQPPTGBRMFS-NRFANRHFSA-N 0 1 408.542 4.029 20 0 HIADMN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCCCO[C@@H]1CCOC1)c1ccccc1 ZINC000464978003 878321317 /nfs/dbraw/zinc/32/13/17/878321317.db2.gz DYUBWWNPAPYEJE-WOJBJXKFSA-N 0 1 422.447 4.170 20 0 HIADMN CCc1cccc2c(C(=O)[C@@H](NCCCO[C@@H]3CCOC3)c3ccccc3)c[nH]c21 ZINC000464986381 878334443 /nfs/dbraw/zinc/33/44/43/878334443.db2.gz RUHLUDVZZYJSHK-YKSBVNFPSA-N 0 1 406.526 4.440 20 0 HIADMN CCO[C@@H](CC(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1)C1=CCCC1 ZINC000465030526 878393593 /nfs/dbraw/zinc/39/35/93/878393593.db2.gz IZWNMWOYFOLVGG-NRFANRHFSA-N 0 1 405.970 4.326 20 0 HIADMN C[C@@H](CCOc1ccccc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000465038611 878400343 /nfs/dbraw/zinc/40/03/43/878400343.db2.gz UXFBBPNAYAIOCV-PWRODBHTSA-N 0 1 410.558 4.017 20 0 HIADMN C[C@H](CCOc1ccccc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000465038608 878400678 /nfs/dbraw/zinc/40/06/78/878400678.db2.gz UXFBBPNAYAIOCV-NJDAHSKKSA-N 0 1 410.558 4.017 20 0 HIADMN CCN(CC)[C@@H](C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccccc1 ZINC000465275194 878707769 /nfs/dbraw/zinc/70/77/69/878707769.db2.gz CFAGJXLFMVSWGU-HXUWFJFHSA-N 0 1 424.936 4.215 20 0 HIADMN COc1cc(C)c([C@H](C)NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1OC ZINC000503392002 912375819 /nfs/dbraw/zinc/37/58/19/912375819.db2.gz NDOAKABAFNRDGM-PBPSECFOSA-N 0 1 416.949 4.368 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC(C)C)C2)c1 ZINC000465300584 878744994 /nfs/dbraw/zinc/74/49/94/878744994.db2.gz MCZGYNAQFHGGTQ-QGZVFWFLSA-N 0 1 416.543 4.004 20 0 HIADMN C[C@H](CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1)Oc1ccccc1Cl ZINC000465399968 878836600 /nfs/dbraw/zinc/83/66/00/878836600.db2.gz CXUHOJGECCGSRW-AEFFLSMTSA-N 0 1 405.926 4.227 20 0 HIADMN O=C(NCc1ccc(-c2cccnc2)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000465408260 878843257 /nfs/dbraw/zinc/84/32/57/878843257.db2.gz MJRGHGSLIYPERN-QFIPXVFZSA-N 0 1 404.514 4.368 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1OC(F)F)c1cccs1 ZINC000465412700 878846011 /nfs/dbraw/zinc/84/60/11/878846011.db2.gz YVYSONOTXIFZHX-CYBMUJFWSA-N 0 1 403.882 4.105 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N(C)CCc2cccs2)N2CCCCC2)cc1 ZINC000465413166 878846277 /nfs/dbraw/zinc/84/62/77/878846277.db2.gz QUVDLJORQRYCET-OAQYLSRUSA-N 0 1 401.576 4.168 20 0 HIADMN CN(C)[C@H](CNC(=O)NC(C)(C)c1nc(C(F)(F)F)cs1)c1cccc(F)c1 ZINC000465422920 878852565 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COc1ccc(C)cc1NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467090675 880856802 /nfs/dbraw/zinc/85/68/02/880856802.db2.gz IZRWFZWQKWGBAO-MRXNPFEDSA-N 0 1 405.380 4.052 20 0 HIADMN O=C(Nc1ccc(F)c(F)c1F)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467090547 880856924 /nfs/dbraw/zinc/85/69/24/880856924.db2.gz NMKOQYOUJVPGJT-AWEZNQCLSA-N 0 1 415.297 4.152 20 0 HIADMN O=C(Nc1ccc2ncsc2c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467100562 880862640 /nfs/dbraw/zinc/86/26/40/880862640.db2.gz JSWOIOUVPWCFJT-HNNXBMFYSA-N 0 1 418.404 4.344 20 0 HIADMN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)[C@H]1CCCc2[nH]ncc21 ZINC000467104898 880865240 /nfs/dbraw/zinc/86/52/40/880865240.db2.gz MYOQCIYEXHUWDT-AWEZNQCLSA-N 0 1 408.329 4.001 20 0 HIADMN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1OC ZINC000467106292 880865920 /nfs/dbraw/zinc/86/59/20/880865920.db2.gz SHCBFFDTDNVBOH-DENIHFKCSA-N 0 1 419.525 4.255 20 0 HIADMN COC[C@@H]1CCCC[N@@H+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000467120590 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HIADMN Cc1cc(-c2csc(NC(=O)CCN3CCN(c4ccccc4)CC3)n2)c(C)o1 ZINC000469081488 883168304 /nfs/dbraw/zinc/16/83/04/883168304.db2.gz QUKHNSXISPUPIA-UHFFFAOYSA-N 0 1 410.543 4.171 20 0 HIADMN COc1ccc(Oc2ccc(S(=O)(=O)Nc3cc(OC)ccc3O)cc2)cc1 ZINC000469098883 883189120 /nfs/dbraw/zinc/18/91/20/883189120.db2.gz VQVJAOLXBCZCPL-UHFFFAOYSA-N 0 1 401.440 4.003 20 0 HIADMN COc1ccc(SCCC(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1OC ZINC000469146688 883243951 /nfs/dbraw/zinc/24/39/51/883243951.db2.gz VDRCIMSEXVHAMN-SFHVURJKSA-N 0 1 416.543 4.210 20 0 HIADMN COc1cc(Br)ccc1[C@@H](C)NCc1cc(OC)c(OC)c(OC)c1 ZINC000469199919 883298929 /nfs/dbraw/zinc/29/89/29/883298929.db2.gz WPMTZRDVRGFFGG-GFCCVEGCSA-N 0 1 410.308 4.334 20 0 HIADMN Cc1nnc(SCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)[nH]1 ZINC000469208818 883309832 /nfs/dbraw/zinc/30/98/32/883309832.db2.gz OXLLXHURZKCPAN-UHFFFAOYSA-N 0 1 409.393 4.050 20 0 HIADMN Cc1n[nH]c(SCC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)n1 ZINC000469208818 883309849 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C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000476987315 891913776 /nfs/dbraw/zinc/91/37/76/891913776.db2.gz GTSWFDCUAPFRRX-SZNDQCEHSA-N 0 1 417.912 4.265 20 0 HIADMN COC(=O)c1ccc2c(c1)nc(CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1)[nH]c2=O ZINC000476997037 891923719 /nfs/dbraw/zinc/92/37/19/891923719.db2.gz AVKMAPBKHMYJHR-UONOGXRCSA-N 0 1 413.905 4.399 20 0 HIADMN O=C(CN1CCC[C@]2(CCCOC2)C1)Nc1cccc(CSc2ccccn2)c1 ZINC000477044505 891969943 /nfs/dbraw/zinc/96/99/43/891969943.db2.gz CFHMILBHINTGFR-QHCPKHFHSA-N 0 1 411.571 4.205 20 0 HIADMN COC(=O)CCSCc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000504886616 913617548 /nfs/dbraw/zinc/61/75/48/913617548.db2.gz AZSLRRKSQZSXCL-NRFANRHFSA-N 0 1 412.555 4.086 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cccc(-c3noc(C(F)(F)F)n3)c1)C2 ZINC000477120733 892051132 /nfs/dbraw/zinc/05/11/32/892051132.db2.gz OYKGTULWTZOMMP-GFCCVEGCSA-N 0 1 419.407 4.346 20 0 HIADMN CCN(C[C@H]1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1)CC(F)(F)F ZINC000477259673 892211838 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20 0 HIADMN CCc1nc([C@H](C)NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n[nH]1 ZINC000477335930 892304394 /nfs/dbraw/zinc/30/43/94/892304394.db2.gz DIKNRPADTHQYSJ-RYUDHWBXSA-N 0 1 419.938 4.175 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)n[nH]1 ZINC000477343424 892310616 /nfs/dbraw/zinc/31/06/16/892310616.db2.gz YHSRKLQCZHTWAT-AWEZNQCLSA-N 0 1 401.898 4.059 20 0 HIADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2c(C)ccc3cccnc32)cc1)C(C)C ZINC000477343305 892311855 /nfs/dbraw/zinc/31/18/55/892311855.db2.gz VVKUGKISGLGHDP-UHFFFAOYSA-N 0 1 411.527 4.101 20 0 HIADMN CN1CCN(Cc2cccc(C(=O)N3CC=C(c4cccc(Cl)c4)CC3)c2)CC1 ZINC000477353175 892319255 /nfs/dbraw/zinc/31/92/55/892319255.db2.gz NOQRTBUFUDCIIL-UHFFFAOYSA-N 0 1 409.961 4.017 20 0 HIADMN COc1ccc(-c2nnc(NC(=O)c3ccc(Nc4ccncc4)cc3)s2)cc1 ZINC000477391274 892347095 /nfs/dbraw/zinc/34/70/95/892347095.db2.gz MJOHNHAEGKAGKR-UHFFFAOYSA-N 0 1 403.467 4.027 20 0 HIADMN CCn1ncc2ccc(NC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)cc21 ZINC000477406771 892360312 /nfs/dbraw/zinc/36/03/12/892360312.db2.gz MHCVYSPYGMCNNY-HSZRJFAPSA-N 0 1 421.545 4.414 20 0 HIADMN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)n1 ZINC000477452981 892410070 /nfs/dbraw/zinc/41/00/70/892410070.db2.gz CHYXOUZORKVZRP-UHFFFAOYSA-N 0 1 410.421 4.012 20 0 HIADMN CCOc1ccc([C@H]2CCCN2C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1 ZINC000504923998 913660833 /nfs/dbraw/zinc/66/08/33/913660833.db2.gz JTAJDXSMPZYDLK-NTKDMRAZSA-N 0 1 407.558 4.379 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)c1cc(C)ccc1Br)N1CCCC1 ZINC000477497883 892502509 /nfs/dbraw/zinc/50/25/09/892502509.db2.gz HZIQAILPTVFSEB-IBGZPJMESA-N 0 1 417.347 4.333 20 0 HIADMN CCc1nc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)n[nH]1 ZINC000477513377 892525596 /nfs/dbraw/zinc/52/55/96/892525596.db2.gz OSTCUINCPOIUNJ-CYBMUJFWSA-N 0 1 414.893 4.099 20 0 HIADMN CCc1nc([C@@H](C)NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)n[nH]1 ZINC000477565348 892620645 /nfs/dbraw/zinc/62/06/45/892620645.db2.gz CWQNBGQSIUUAJS-LLVKDONJSA-N 0 1 410.503 4.048 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)n[nH]1 ZINC000477569497 892628026 /nfs/dbraw/zinc/62/80/26/892628026.db2.gz NIUVMUHQUJQASK-SNVBAGLBSA-N 0 1 424.288 4.293 20 0 HIADMN CC[C@@H](C)n1ncc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1C1CC1 ZINC000477591957 892668001 /nfs/dbraw/zinc/66/80/01/892668001.db2.gz PYERLOUFTLENCQ-LJQANCHMSA-N 0 1 409.578 4.191 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000477654796 892785805 /nfs/dbraw/zinc/78/58/05/892785805.db2.gz VEZQTFAXPBIMHP-JOCHJYFZSA-N 0 1 423.463 4.250 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3-c3cnn(C)c3)n2)cc1 ZINC000477676049 892805995 /nfs/dbraw/zinc/80/59/95/892805995.db2.gz SLMQARLEZXGXJL-UHFFFAOYSA-N 0 1 422.489 4.051 20 0 HIADMN O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000477688361 892811137 /nfs/dbraw/zinc/81/11/37/892811137.db2.gz GLKQARVAKCLUDT-SFHVURJKSA-N 0 1 414.933 4.317 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(F)cc3-c3cnn(C)c3)[nH]2)c1 ZINC000477696251 892814638 /nfs/dbraw/zinc/81/46/38/892814638.db2.gz ZQBBOVYQZCQCKO-UHFFFAOYSA-N 0 1 405.433 4.186 20 0 HIADMN Cc1nn(CC(F)(F)F)cc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000477731684 892831111 /nfs/dbraw/zinc/83/11/11/892831111.db2.gz MZUVTCVXIOWXJR-OAHLLOKOSA-N 0 1 411.815 4.261 20 0 HIADMN CCN(C[C@@H]1CCN([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1)CC(F)(F)F ZINC000477740189 892836093 /nfs/dbraw/zinc/83/60/93/892836093.db2.gz IZFXCXSUVKDXTC-CABCVRRESA-N 0 1 414.447 4.451 20 0 HIADMN CCN(C[C@H]1CCN(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C1)CC(F)(F)F ZINC000477741925 892837425 /nfs/dbraw/zinc/83/74/25/892837425.db2.gz HGVCIYCYHDXCAC-ZWKOTPCHSA-N 0 1 421.507 4.223 20 0 HIADMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000504968450 913707441 /nfs/dbraw/zinc/70/74/41/913707441.db2.gz ZUFRTQXJYCBVAZ-LEWJYISDSA-N 0 1 400.954 4.000 20 0 HIADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000477833577 892895639 /nfs/dbraw/zinc/89/56/39/892895639.db2.gz 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Cc1nc(-c2cccnc2)sc1[C@@H](C)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477919552 893003490 /nfs/dbraw/zinc/00/34/90/893003490.db2.gz DOLNGCCNUVRZLN-KUHUBIRLSA-N 0 1 410.518 4.104 20 0 HIADMN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000477938329 893028837 /nfs/dbraw/zinc/02/88/37/893028837.db2.gz RZNZCNQKAHTVHR-IBGZPJMESA-N 0 1 400.486 4.034 20 0 HIADMN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000477938329 893028862 /nfs/dbraw/zinc/02/88/62/893028862.db2.gz RZNZCNQKAHTVHR-IBGZPJMESA-N 0 1 400.486 4.034 20 0 HIADMN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000477978081 893073623 /nfs/dbraw/zinc/07/36/23/893073623.db2.gz XOZPEYLSGYXQSX-GOEBONIOSA-N 0 1 409.902 4.263 20 0 HIADMN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000477990579 893089926 /nfs/dbraw/zinc/08/99/26/893089926.db2.gz DQXUTXVDKNPDIN-IIBYNOLFSA-N 0 1 401.514 4.294 20 0 HIADMN CC(C)C[C@](C)(NC(=O)CCCCc1cn[nH]n1)c1cccc(Br)c1 ZINC000477993483 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NBBJOXNQXXPQLX-OXQOHEQNSA-N 0 1 404.848 4.209 20 0 HIADMN COc1cc(OC)cc(Oc2ccc(CNCc3ccc4c(c3)C(=O)NCC4)cc2)c1 ZINC000543620005 940136789 /nfs/dbraw/zinc/13/67/89/940136789.db2.gz PHWKSJJDHNYVSX-UHFFFAOYSA-N 0 1 418.493 4.072 20 0 HIADMN COc1cccc(Cn2ccc3ccc(NC(=O)N4CCN(C)[C@@H](C)[C@H]4C)cc32)c1 ZINC000543623130 940137177 /nfs/dbraw/zinc/13/71/77/940137177.db2.gz MVQMNKFHOJEZRT-ZWKOTPCHSA-N 0 1 406.530 4.255 20 0 HIADMN CCCCn1cc(CN[C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)c(C)n1 ZINC000543627088 940140372 /nfs/dbraw/zinc/14/03/72/940140372.db2.gz QHKPVSGRWFSIOW-YADHBBJMSA-N 0 1 403.592 4.175 20 0 HIADMN O=C(NCc1cc2c(s1)CCCC2)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000543742580 940173829 /nfs/dbraw/zinc/17/38/29/940173829.db2.gz ROWFJNFXOZQZNS-GOSISDBHSA-N 0 1 407.543 4.459 20 0 HIADMN O=C(NCc1cc2c(s1)CCCC2)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000543742580 940173839 /nfs/dbraw/zinc/17/38/39/940173839.db2.gz ROWFJNFXOZQZNS-GOSISDBHSA-N 0 1 407.543 4.459 20 0 HIADMN CCc1ccc([C@H](CO)NCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000543843345 940205900 /nfs/dbraw/zinc/20/59/00/940205900.db2.gz XDKXQOUGTYSIPU-AZGAKELHSA-N 0 1 420.528 4.259 20 0 HIADMN CNC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000543848093 940207455 /nfs/dbraw/zinc/20/74/55/940207455.db2.gz ZHVNZGYEHPMKMU-DJJJIMSYSA-N 0 1 405.901 4.153 20 0 HIADMN CC[C@H](C)[C@@H](NCc1cnn(CC(C)C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000543874277 940220003 /nfs/dbraw/zinc/22/00/03/940220003.db2.gz NBQFVPHNHORVAR-WMZHIEFXSA-N 0 1 411.594 4.282 20 0 HIADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cn(C)nc1-c1ccccc1 ZINC000543875481 940220997 /nfs/dbraw/zinc/22/09/97/940220997.db2.gz DXNDQIIUNGRQIC-UHFFFAOYSA-N 0 1 407.468 4.458 20 0 HIADMN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc2ccccc2c1 ZINC000543903784 940235015 /nfs/dbraw/zinc/23/50/15/940235015.db2.gz NYAUVKLIWZFLJM-VRQJBBGESA-N 0 1 408.567 4.494 20 0 HIADMN Fc1ccc(-n2cc(CSc3nc(-c4ccccc4F)n[nH]3)nn2)cc1Cl ZINC000543958853 940270872 /nfs/dbraw/zinc/27/08/72/940270872.db2.gz IDNYZZAFMYPEQZ-UHFFFAOYSA-N 0 1 404.833 4.276 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)c1F ZINC000543960806 940271719 /nfs/dbraw/zinc/27/17/19/940271719.db2.gz ZXSXFXFTJXHAJZ-UHFFFAOYSA-N 0 1 410.467 4.130 20 0 HIADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nnc(C3CC3)n2C2CC2)[C@H]2CCCC[C@H]12 ZINC000543962087 940272909 /nfs/dbraw/zinc/27/29/09/940272909.db2.gz NQNUHJCXUHPRGS-KHDMTIDOSA-N 0 1 413.610 4.174 20 0 HIADMN CN(Cc1ccccc1F)C(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000543980332 940282305 /nfs/dbraw/zinc/28/23/05/940282305.db2.gz RGRSUBSLKGMIFW-QFIPXVFZSA-N 0 1 411.908 4.406 20 0 HIADMN COc1cccc(F)c1[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000544005769 940295735 /nfs/dbraw/zinc/29/57/35/940295735.db2.gz WDFBHMDMYNQTBE-HUUCEWRRSA-N 0 1 413.493 4.251 20 0 HIADMN CC[C@@H](N[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1nc(C)cs1 ZINC000544034910 940306107 /nfs/dbraw/zinc/30/61/07/940306107.db2.gz RGUFUIPELVBBQD-FZKQIMNGSA-N 0 1 400.548 4.258 20 0 HIADMN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C1 ZINC000544048386 940310406 /nfs/dbraw/zinc/31/04/06/940310406.db2.gz RKKQODPCEPDUEC-ZEQRLZLVSA-N 0 1 421.585 4.132 20 0 HIADMN O=C(c1ccccc1)C1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544072155 940317434 /nfs/dbraw/zinc/31/74/34/940317434.db2.gz MRHPIIYJLLGVOM-SFHVURJKSA-N 0 1 407.432 4.040 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000544097566 940325854 /nfs/dbraw/zinc/32/58/54/940325854.db2.gz YAGCRJSZZCHGIQ-PMERELPUSA-N 0 1 420.578 4.328 20 0 HIADMN NC(=O)[C@@H](Cc1ccc(F)cc1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000544098682 940326440 /nfs/dbraw/zinc/32/64/40/940326440.db2.gz PTOMESFHAOLDLN-LJQANCHMSA-N 0 1 400.400 4.082 20 0 HIADMN C[C@H](N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccccc1OC(F)F ZINC000544116469 940330467 /nfs/dbraw/zinc/33/04/67/940330467.db2.gz FPURSLOLFVUYTJ-XHDPSFHLSA-N 0 1 402.363 4.054 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)N(C)C[C@@H](C)c3nccs3)ccc2c1 ZINC000544177983 940344930 /nfs/dbraw/zinc/34/49/30/940344930.db2.gz ALAAPUNYFGWFTC-IAGOWNOFSA-N 0 1 411.571 4.387 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)CN2CC[C@H](c3ccc(C)cc3)C2)c(C(F)(F)F)c1 ZINC000544185862 940347207 /nfs/dbraw/zinc/34/72/07/940347207.db2.gz JTCLKRWVUSUHLJ-KRWDZBQOSA-N 0 1 419.447 4.400 20 0 HIADMN O=C(Nc1nc(Cc2ccccc2)cs1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000544275267 940376203 /nfs/dbraw/zinc/37/62/03/940376203.db2.gz JXGSCHRPQGVHGL-INIZCTEOSA-N 0 1 408.531 4.141 20 0 HIADMN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000544285132 940379664 /nfs/dbraw/zinc/37/96/64/940379664.db2.gz MEMZPLKBOWAZIK-ZDFPQIBNSA-N 0 1 419.573 4.327 20 0 HIADMN Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C1)CO2 ZINC000544289090 940380727 /nfs/dbraw/zinc/38/07/27/940380727.db2.gz MTQPFXVWZCVKIP-IEBWSBKVSA-N 0 1 409.534 4.184 20 0 HIADMN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000544314152 940387543 /nfs/dbraw/zinc/38/75/43/940387543.db2.gz FMVNHDKCYAFSPR-UFYCRDLUSA-N 0 1 417.598 4.193 20 0 HIADMN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)c1 ZINC000544320849 940389435 /nfs/dbraw/zinc/38/94/35/940389435.db2.gz JOIIDRVGJOYBAP-BTYIYWSLSA-N 0 1 421.497 4.326 20 0 HIADMN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(Oc2ccccc2)nc1 ZINC000544356638 940399038 /nfs/dbraw/zinc/39/90/38/940399038.db2.gz HNZJZXNDBHLOJU-XMMPIXPASA-N 0 1 403.526 4.345 20 0 HIADMN CSc1ccc(C)c(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000544357487 940399880 /nfs/dbraw/zinc/39/98/80/940399880.db2.gz ORXDODFTNCXLRV-INIZCTEOSA-N 0 1 406.433 4.373 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1csc2c1CCCC2 ZINC000544357106 940399915 /nfs/dbraw/zinc/39/99/15/940399915.db2.gz SENXIWYSUMTPMJ-INIZCTEOSA-N 0 1 406.433 4.283 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 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Cc1ccccc1-c1nn(-c2ccccc2)cc1CN1CCCN(C(=O)C2CC2)CC1 ZINC000438279401 863749543 /nfs/dbraw/zinc/74/95/43/863749543.db2.gz POSBBUGSAHTGDW-UHFFFAOYSA-N 0 1 414.553 4.292 20 0 HIADMN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000438335081 863809679 /nfs/dbraw/zinc/80/96/79/863809679.db2.gz CIJSJCZPYDKDOF-OLMNPRSZSA-N 0 1 409.440 4.153 20 0 HIADMN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000438335081 863809681 /nfs/dbraw/zinc/80/96/81/863809681.db2.gz CIJSJCZPYDKDOF-OLMNPRSZSA-N 0 1 409.440 4.153 20 0 HIADMN COc1ccc(CCC(=O)Nc2cccc3c2CN(CC(C)C)C3)c(OC)c1OC ZINC000438345837 863816576 /nfs/dbraw/zinc/81/65/76/863816576.db2.gz BGMPKLGQAMVJQA-UHFFFAOYSA-N 0 1 412.530 4.255 20 0 HIADMN Cc1cccc(C(=O)N[C@H](C(=O)Nc2cccc3c2CN(CC(C)C)C3)C(C)C)c1 ZINC000438355200 863822006 /nfs/dbraw/zinc/82/20/06/863822006.db2.gz DQTHKPGMHXSPIE-QHCPKHFHSA-N 0 1 407.558 4.360 20 0 HIADMN CC(C)CN1Cc2cccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)c2C1 ZINC000438364431 863827136 /nfs/dbraw/zinc/82/71/36/863827136.db2.gz OCWQUFIEWFCOGX-UHFFFAOYSA-N 0 1 400.906 4.264 20 0 HIADMN CC(C)CN1Cc2cccc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)c2C1 ZINC000438364861 863827151 /nfs/dbraw/zinc/82/71/51/863827151.db2.gz KXTUPUMEVKVHSB-JOCHJYFZSA-N 0 1 407.514 4.028 20 0 HIADMN Cc1ccc(Sc2c(Cl)cccc2NC(=O)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000438370175 863830842 /nfs/dbraw/zinc/83/08/42/863830842.db2.gz GGEXCUPPCNETMX-MRXNPFEDSA-N 0 1 418.994 4.167 20 0 HIADMN COc1ccc(Oc2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)cn2)cc1 ZINC000438397637 863846070 /nfs/dbraw/zinc/84/60/70/863846070.db2.gz IOCWAQCLKWULMC-GOSISDBHSA-N 0 1 412.515 4.368 20 0 HIADMN CSc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1F ZINC000438420758 863858397 /nfs/dbraw/zinc/85/83/97/863858397.db2.gz MWMAVKYJCMVXEC-OAHLLOKOSA-N 0 1 410.396 4.204 20 0 HIADMN Cc1cccc(C)c1OCCC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438420818 863858455 /nfs/dbraw/zinc/85/84/55/863858455.db2.gz OOBNUZKADMMUJD-GOSISDBHSA-N 0 1 418.419 4.115 20 0 HIADMN O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000438428978 863861678 /nfs/dbraw/zinc/86/16/78/863861678.db2.gz SXDFDXLEWRLMBT-MEMLXQNLSA-N 0 1 401.514 4.307 20 0 HIADMN CCC(CC)n1ncc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1C ZINC000438437194 863865277 /nfs/dbraw/zinc/86/52/77/863865277.db2.gz HXRSFFIWYFHXPL-QGZVFWFLSA-N 0 1 420.439 4.209 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(F)cc2cccnc21 ZINC000438440884 863867180 /nfs/dbraw/zinc/86/71/80/863867180.db2.gz WVLIFECTIMFUIJ-KRWDZBQOSA-N 0 1 415.350 4.030 20 0 HIADMN CCC(CC)n1nc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1C ZINC000438449806 863875412 /nfs/dbraw/zinc/87/54/12/863875412.db2.gz MWNNRZKMUUQBFW-KRWDZBQOSA-N 0 1 420.439 4.209 20 0 HIADMN O=C(CCCc1cc(F)ccc1F)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438455462 863878942 /nfs/dbraw/zinc/87/89/42/863878942.db2.gz MPGVGIVJOVDRJD-GOSISDBHSA-N 0 1 424.373 4.330 20 0 HIADMN O=C(C/C=C\c1cccc(F)c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438458150 863881725 /nfs/dbraw/zinc/88/17/25/863881725.db2.gz JTGXVPVLDJMMOI-OTZGOOTISA-N 0 1 404.367 4.272 20 0 HIADMN CCOc1cc(C[N@H+]2CC[C@@H](CO)C2)ccc1OCCOc1cccc(Cl)c1 ZINC000438482429 863898416 /nfs/dbraw/zinc/89/84/16/863898416.db2.gz APEHEWHBNMTLTF-GOSISDBHSA-N 0 1 405.922 4.011 20 0 HIADMN CC(C)c1cnc(-c2ccc(NC(=O)N3CCN(CC4CCOCC4)CC3)cc2)o1 ZINC000438488052 863903999 /nfs/dbraw/zinc/90/39/99/863903999.db2.gz BRQLUJOESWKVFS-UHFFFAOYSA-N 0 1 412.534 4.041 20 0 HIADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@](C)(c3ccccc3)C2)cc1OC ZINC000438487273 863905364 /nfs/dbraw/zinc/90/53/64/863905364.db2.gz SKTVWPUEAWSHPY-OFVILXPXSA-N 0 1 408.542 4.031 20 0 HIADMN C[C@H]1CCN(c2cc(C(=O)N[C@@H](c3ccccc3)c3ccc4nc[nH]c4c3)ccn2)C1 ZINC000438539012 863965670 /nfs/dbraw/zinc/96/56/70/863965670.db2.gz GYRLBSHJFZRCJT-XDHUDOTRSA-N 0 1 411.509 4.324 20 0 HIADMN Cc1cc2c(ncnc2N2CCN(Cc3cccc(-c4ccccn4)c3)CC2)s1 ZINC000438553290 863983631 /nfs/dbraw/zinc/98/36/31/863983631.db2.gz LCGYEJRUYDEHBV-UHFFFAOYSA-N 0 1 401.539 4.384 20 0 HIADMN CN(C)C(=O)c1ccc(NC(=O)CN2CCCCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000438564370 863997234 /nfs/dbraw/zinc/99/72/34/863997234.db2.gz YNQHVXMRZRNGEM-XUUSCSPLSA-N 0 1 405.542 4.285 20 0 HIADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C[C@H](C)O1 ZINC000438631090 864060935 /nfs/dbraw/zinc/06/09/35/864060935.db2.gz ITLIXWQAQMJFOK-HOTGVXAUSA-N 0 1 418.925 4.148 20 0 HIADMN CN(C)Cc1cc(CNC(=O)Nc2c(F)cc(Br)cc2F)ccc1F ZINC000438634794 864065678 /nfs/dbraw/zinc/06/56/78/864065678.db2.gz FVMFSNYBKHHYDK-UHFFFAOYSA-N 0 1 416.241 4.250 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000438651492 864093056 /nfs/dbraw/zinc/09/30/56/864093056.db2.gz VCBMXHHAPXKRRM-KRWDZBQOSA-N 0 1 414.525 4.201 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000438660020 864108319 /nfs/dbraw/zinc/10/83/19/864108319.db2.gz GKJCCPIRHYJAFR-SFHVURJKSA-N 0 1 410.562 4.282 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](CC)c1cccs1 ZINC000438663095 864113496 /nfs/dbraw/zinc/11/34/96/864113496.db2.gz CBVMAPGWCWYEGE-QGZVFWFLSA-N 0 1 402.564 4.171 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](CC)c1cccs1 ZINC000438663093 864114012 /nfs/dbraw/zinc/11/40/12/864114012.db2.gz CBVMAPGWCWYEGE-KRWDZBQOSA-N 0 1 402.564 4.171 20 0 HIADMN COc1cccc([C@H](CNC(=O)Nc2cccc(Oc3ccccn3)c2)N(C)C)c1 ZINC000438665643 864118462 /nfs/dbraw/zinc/11/84/62/864118462.db2.gz DVALRHIDKXZOTR-NRFANRHFSA-N 0 1 406.486 4.307 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000438666071 864119032 /nfs/dbraw/zinc/11/90/32/864119032.db2.gz SOTXYQHILFTTJU-LJQANCHMSA-N 0 1 410.562 4.071 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000438669957 864129835 /nfs/dbraw/zinc/12/98/35/864129835.db2.gz JZGKUMIGQGCLMR-LJQANCHMSA-N 0 1 410.562 4.071 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC(C)(C)c1cccc(C)c1 ZINC000438674279 864134151 /nfs/dbraw/zinc/13/41/51/864134151.db2.gz WTXZUSDYSQZHGJ-UHFFFAOYSA-N 0 1 410.562 4.202 20 0 HIADMN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NCCN2CCCOCC2)c1 ZINC000438687878 864154978 /nfs/dbraw/zinc/15/49/78/864154978.db2.gz SEYUPRMXBNHLOT-UHFFFAOYSA-N 0 1 404.963 4.252 20 0 HIADMN Cc1c(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000438709300 864188400 /nfs/dbraw/zinc/18/84/00/864188400.db2.gz HYPYXBPSFYMIGG-UHFFFAOYSA-N 0 1 407.558 4.215 20 0 HIADMN Cc1ccc(CO)cc1NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000438778272 864272692 /nfs/dbraw/zinc/27/26/92/864272692.db2.gz QUVSFYAZZYXBRN-UHFFFAOYSA-N 0 1 424.238 4.069 20 0 HIADMN Cc1c(Cl)cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1Cl ZINC000438798763 864289087 /nfs/dbraw/zinc/28/90/87/864289087.db2.gz DUIYQBKOEQJAEU-UHFFFAOYSA-N 0 1 407.662 4.191 20 0 HIADMN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccc(C(N)=O)c(Cl)c3)cc2s1 ZINC000438798297 864289816 /nfs/dbraw/zinc/28/98/16/864289816.db2.gz XHNOYYLYIROMQE-UHFFFAOYSA-N 0 1 423.947 4.147 20 0 HIADMN COc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(C)c(Br)c2)c1 ZINC000438800622 864291102 /nfs/dbraw/zinc/29/11/02/864291102.db2.gz HGTXGGLTHYWPJR-UHFFFAOYSA-N 0 1 422.247 4.168 20 0 HIADMN C[C@@H](NC(=O)N[C@H]1CCCc2sccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000467890167 881752212 /nfs/dbraw/zinc/75/22/12/881752212.db2.gz SLLNTBXKTUBXIZ-BEFAXECRSA-N 0 1 416.566 4.077 20 0 HIADMN CCSCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000438837959 864331950 /nfs/dbraw/zinc/33/19/50/864331950.db2.gz BUYYRJUFAGNTGL-HXUWFJFHSA-N 0 1 422.554 4.427 20 0 HIADMN Cc1ccc(C(=O)NCC2CC2)cc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000438849670 864345395 /nfs/dbraw/zinc/34/53/95/864345395.db2.gz KEMSIDPCZPZKPV-UHFFFAOYSA-N 0 1 413.326 4.242 20 0 HIADMN CSCc1cc(F)ccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438852732 864347421 /nfs/dbraw/zinc/34/74/21/864347421.db2.gz BRVQMZVTFBQLOB-INIZCTEOSA-N 0 1 416.566 4.109 20 0 HIADMN CC[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)Oc1ccccc1C ZINC000438865285 864359137 /nfs/dbraw/zinc/35/91/37/864359137.db2.gz METFEBPAJJALSG-DENIHFKCSA-N 0 1 410.562 4.072 20 0 HIADMN Cc1cc(N2CCC(NCc3csc(COc4ccc(Cl)cc4)n3)CC2)n[nH]1 ZINC000438909463 864388470 /nfs/dbraw/zinc/38/84/70/864388470.db2.gz DBOCLQJGTFAZES-UHFFFAOYSA-N 0 1 417.966 4.166 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000438913994 864393864 /nfs/dbraw/zinc/39/38/64/864393864.db2.gz SUFSKXHQODBAME-FFZOFVMBSA-N 0 1 415.578 4.318 20 0 HIADMN Cc1[nH]c(SCC(=O)NC2CCC3(CCOCC3)CC2)nc1Cc1ccccc1 ZINC000438920562 864400042 /nfs/dbraw/zinc/40/00/42/864400042.db2.gz NMSXVSNDVIJQOF-UHFFFAOYSA-N 0 1 413.587 4.257 20 0 HIADMN CCN(C(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1nc2ccccc2s1 ZINC000439006269 864459947 /nfs/dbraw/zinc/45/99/47/864459947.db2.gz TXGLQVAJUPDNNZ-UHOSZYNNSA-N 0 1 401.576 4.055 20 0 HIADMN O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000439012300 864463657 /nfs/dbraw/zinc/46/36/57/864463657.db2.gz XJNICRJVWGKWMO-RCCFBDPRSA-N 0 1 420.351 4.405 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C(F)(F)F)ccc2Br)n[nH]1 ZINC000439075392 864527447 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HIADMN Cn1ccnc1[C@@H]1CCCN(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000444804662 869020424 /nfs/dbraw/zinc/02/04/24/869020424.db2.gz QAISWJJXCXGXPJ-HXUWFJFHSA-N 0 1 412.553 4.100 20 0 HIADMN CCOC(=O)c1n[nH]c(C2CCN([C@H](CC)c3ccc(Br)cc3)CC2)n1 ZINC000444809403 869022497 /nfs/dbraw/zinc/02/24/97/869022497.db2.gz CIZZGUUZAIOJJU-MRXNPFEDSA-N 0 1 421.339 4.075 20 0 HIADMN C[C@@H]1CN(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)CCN1CC(C)(C)O ZINC000444847524 869051705 /nfs/dbraw/zinc/05/17/05/869051705.db2.gz JJYGCGAEOXRJHK-OAHLLOKOSA-N 0 1 419.472 4.066 20 0 HIADMN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000444852791 869055808 /nfs/dbraw/zinc/05/58/08/869055808.db2.gz QUIVUAPFAGLOFA-IBGZPJMESA-N 0 1 417.985 4.339 20 0 HIADMN C[C@H](NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)c1nc2ccccc2n1C(F)F ZINC000444873785 869070799 /nfs/dbraw/zinc/07/07/99/869070799.db2.gz ISPKRHNYUYXBFK-LBPRGKRZSA-N 0 1 404.465 4.355 20 0 HIADMN C[C@@H](Oc1ccccc1NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)c1ccccc1 ZINC000444877721 869071669 /nfs/dbraw/zinc/07/16/69/869071669.db2.gz SWFARKGYQVBIFJ-RTBURBONSA-N 0 1 411.546 4.136 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000444884283 869076442 /nfs/dbraw/zinc/07/64/42/869076442.db2.gz WQBVVQUUTGZNOT-UHFFFAOYSA-N 0 1 411.481 4.375 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000444891931 869079792 /nfs/dbraw/zinc/07/97/92/869079792.db2.gz ZZCPPBYEYHQVCP-UHFFFAOYSA-N 0 1 402.392 4.451 20 0 HIADMN COC(=O)COc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c2ccccc12 ZINC000444909383 869095873 /nfs/dbraw/zinc/09/58/73/869095873.db2.gz HTTLHZGWBAGXMD-UHFFFAOYSA-N 0 1 424.501 4.076 20 0 HIADMN C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(Cl)cc1Cl ZINC000444922150 869106295 /nfs/dbraw/zinc/10/62/95/869106295.db2.gz NYHUQOVIOYAMSY-LLVKDONJSA-N 0 1 409.317 4.037 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000444922953 869107233 /nfs/dbraw/zinc/10/72/33/869107233.db2.gz QFHYKKQVZGWHHJ-UHFFFAOYSA-N 0 1 410.547 4.348 20 0 HIADMN O=C(NCCc1nc[nH]n1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 ZINC000444976843 869138225 /nfs/dbraw/zinc/13/82/25/869138225.db2.gz AINWBWRAPGRMFB-UHFFFAOYSA-N 0 1 414.878 4.224 20 0 HIADMN COc1cc(NC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1F ZINC000445012814 869165023 /nfs/dbraw/zinc/16/50/23/869165023.db2.gz OYDFAZZJEUXEGT-DJJJIMSYSA-N 0 1 409.864 4.441 20 0 HIADMN Cn1ncc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1C(F)(F)F ZINC000445025571 869174719 /nfs/dbraw/zinc/17/47/19/869174719.db2.gz RAEKXZVIWSBCOJ-OAHLLOKOSA-N 0 1 415.847 4.051 20 0 HIADMN Cn1c(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)nc2c1cccc2F ZINC000468339158 882273193 /nfs/dbraw/zinc/27/31/93/882273193.db2.gz LBXSOCFJGBFKCZ-UHFFFAOYSA-N 0 1 414.238 4.117 20 0 HIADMN CCCOc1ccc(CNC(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)c(OC(F)F)c1 ZINC000445085943 869207881 /nfs/dbraw/zinc/20/78/81/869207881.db2.gz SMKWJGCGGLOFDU-UHFFFAOYSA-N 0 1 424.492 4.439 20 0 HIADMN CC[C@@H](NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1)c1nc(C(F)(F)F)cs1 ZINC000445135842 869237658 /nfs/dbraw/zinc/23/76/58/869237658.db2.gz MYRANMHEZWLUAL-LLVKDONJSA-N 0 1 403.474 4.475 20 0 HIADMN COc1cc(-c2noc(-c3ccc(O)c(Cl)c3)n2)ccc1OC[C@@H]1CCCO1 ZINC000445205875 869274184 /nfs/dbraw/zinc/27/41/84/869274184.db2.gz SREQGDNBLDXNCL-AWEZNQCLSA-N 0 1 402.834 4.329 20 0 HIADMN O=C(NCc1ncoc1-c1ccccc1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000445214196 869278891 /nfs/dbraw/zinc/27/88/91/869278891.db2.gz MCGRYCWIUFRFIM-AWEZNQCLSA-N 0 1 419.407 4.173 20 0 HIADMN C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1cccc(O)c1 ZINC000445224030 869284311 /nfs/dbraw/zinc/28/43/11/869284311.db2.gz NMWUXBHEYUXSPB-RISOHXOYSA-N 0 1 405.901 4.238 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000445234151 869291482 /nfs/dbraw/zinc/29/14/82/869291482.db2.gz BFOYCXMKTHEEFT-QGZVFWFLSA-N 0 1 400.523 4.319 20 0 HIADMN CCC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)c1 ZINC000468357168 882296511 /nfs/dbraw/zinc/29/65/11/882296511.db2.gz PDNHDCZLIWGYEZ-ZDUSSCGKSA-N 0 1 411.907 4.147 20 0 HIADMN O=C(Cc1noc(-c2cc(-c3cccs3)n[nH]2)n1)Nc1ccc(F)c(Cl)c1 ZINC000445368802 869438833 /nfs/dbraw/zinc/43/88/33/869438833.db2.gz FQRDNHKRLADBDV-UHFFFAOYSA-N 0 1 403.826 4.162 20 0 HIADMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc(-c5nnco5)cc4)no3)cc2)C[C@@H](C)O1 ZINC000445404600 869489153 /nfs/dbraw/zinc/48/91/53/869489153.db2.gz RMMIFXGPHVFERS-HZPDHXFCSA-N 0 1 417.469 4.063 20 0 HIADMN COc1cc(-c2noc(-c3cc(-c4ccc(C)o4)n[nH]3)n2)cc(Br)c1O ZINC000445406540 869490748 /nfs/dbraw/zinc/49/07/48/869490748.db2.gz XSASLKNMEQOBGW-UHFFFAOYSA-N 0 1 417.219 4.172 20 0 HIADMN CCC[C@H](NCCOc1cc(F)cc(Br)c1)c1nnc2ccccn21 ZINC000445776596 869818034 /nfs/dbraw/zinc/81/80/34/869818034.db2.gz UMXMXKXYKSPEPH-INIZCTEOSA-N 0 1 407.287 4.141 20 0 HIADMN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN[C@@H](CC(F)(F)F)C(C)C ZINC000445905037 869880343 /nfs/dbraw/zinc/88/03/43/869880343.db2.gz VRMXIYMZBZBGTO-LBPRGKRZSA-N 0 1 415.239 4.285 20 0 HIADMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000445915949 869886090 /nfs/dbraw/zinc/88/60/90/869886090.db2.gz NZMCTVZLABODFZ-WFASDCNBSA-N 0 1 409.274 4.293 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000445980263 869944857 /nfs/dbraw/zinc/94/48/57/869944857.db2.gz KUOWOUYMKUMNMS-NHCICSSKSA-N 0 1 406.574 4.318 20 0 HIADMN Cc1cc(CC(=O)Nc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n[nH]1 ZINC000446018552 869985385 /nfs/dbraw/zinc/98/53/85/869985385.db2.gz FDXFVOSGGFYMKM-UHFFFAOYSA-N 0 1 416.403 4.479 20 0 HIADMN NC(=O)c1ccc(OCCC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC000446108541 870055590 /nfs/dbraw/zinc/05/55/90/870055590.db2.gz OLQPCJBRWMHDNJ-UHFFFAOYSA-N 0 1 406.486 4.117 20 0 HIADMN O=C(CCCc1cc(Cl)sc1Cl)N1CCC(CCN2CCOCC2)CC1 ZINC000446126488 870072115 /nfs/dbraw/zinc/07/21/15/870072115.db2.gz MYZUKUHEPJUYNF-UHFFFAOYSA-N 0 1 419.418 4.339 20 0 HIADMN O=C1N[C@H](Cc2cccc3ccccc32)C(=O)N1c1ccc2nc(C(F)F)[nH]c2c1 ZINC000446163037 870103614 /nfs/dbraw/zinc/10/36/14/870103614.db2.gz VZFUCGZTNITBKF-GOSISDBHSA-N 0 1 406.392 4.321 20 0 HIADMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1cc2c([nH]c1=O)CCCC2=O ZINC000446236780 870175696 /nfs/dbraw/zinc/17/56/96/870175696.db2.gz HWJFUEFGDXIHCR-UHFFFAOYSA-N 0 1 404.470 4.483 20 0 HIADMN CC[C@H](C)[C@@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)C(F)(F)F ZINC000446270068 870206248 /nfs/dbraw/zinc/20/62/48/870206248.db2.gz QSPJSWPMZULQLB-NUEKZKHPSA-N 0 1 409.456 4.338 20 0 HIADMN C[C@@H]1CN(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)[C@@H](C)[C@H](C)O1 ZINC000446277044 870211909 /nfs/dbraw/zinc/21/19/09/870211909.db2.gz NWWGLCRDKATPFZ-UTLUCORTSA-N 0 1 406.355 4.247 20 0 HIADMN COc1ccc2nc(C)cc(C(=O)N3CC[C@H](n4c(C)nc5c4CCCC5)C3)c2c1 ZINC000468444821 882383531 /nfs/dbraw/zinc/38/35/31/882383531.db2.gz KNBANESGTQLZOY-KRWDZBQOSA-N 0 1 404.514 4.023 20 0 HIADMN CC[C@H](C)[C@@H](NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000446289853 870220064 /nfs/dbraw/zinc/22/00/64/870220064.db2.gz TZCQBKFNDHMUGC-TVYUQYBPSA-N 0 1 423.361 4.189 20 0 HIADMN Cc1c2cc(C)ccc2sc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000446322153 870242184 /nfs/dbraw/zinc/24/21/84/870242184.db2.gz PAUJVYUEGQYMQQ-LAUBAEHRSA-N 0 1 410.587 4.407 20 0 HIADMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3csc(CCc4ccccc4)n3)C1)CCCC2 ZINC000468450268 882387059 /nfs/dbraw/zinc/38/70/59/882387059.db2.gz XDEUBWSCTUPRLB-IBGZPJMESA-N 0 1 420.582 4.399 20 0 HIADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)C1)CCCC2 ZINC000468448465 882387130 /nfs/dbraw/zinc/38/71/30/882387130.db2.gz ISBHPISMJRADMT-OAGGEKHMSA-N 0 1 401.913 4.440 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C)c(OC)cc3C)CCN2C2CC2)c1 ZINC000446362246 870272726 /nfs/dbraw/zinc/27/27/26/870272726.db2.gz FZTUGJKOEVRAEE-OFNKIYASSA-N 0 1 409.530 4.420 20 0 HIADMN C[C@@H](CN(C)C(=O)c1c(F)cccc1Sc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000446415476 870323960 /nfs/dbraw/zinc/32/39/60/870323960.db2.gz DNKVPRHVRVKCBA-NSHDSACASA-N 0 1 405.886 4.019 20 0 HIADMN O=C(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000446422404 870335951 /nfs/dbraw/zinc/33/59/51/870335951.db2.gz ISDQPOMBTYFCFA-GFCCVEGCSA-N 0 1 404.339 4.272 20 0 HIADMN Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000446491757 870406956 /nfs/dbraw/zinc/40/69/56/870406956.db2.gz BGKHAUKGPLCGGM-MSOLQXFVSA-N 0 1 415.419 4.208 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)N[C@H](c1ccccc1)C1CC1 ZINC000446502884 870420003 /nfs/dbraw/zinc/42/00/03/870420003.db2.gz DENPBPOMVKMVED-QZTJIDSGSA-N 0 1 415.419 4.363 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCCc3nc4ccccc4[nH]3)[nH]c2c1 ZINC000446542709 870457679 /nfs/dbraw/zinc/45/76/79/870457679.db2.gz XBDUTKFJZMMHAP-FQEVSTJZSA-N 0 1 402.502 4.227 20 0 HIADMN O=C(NCC1(c2ccccc2)CCCCCC1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000446545016 870459069 /nfs/dbraw/zinc/45/90/69/870459069.db2.gz LMLVYIFMYXRFKQ-OAQYLSRUSA-N 0 1 403.530 4.486 20 0 HIADMN C[C@H](CNC(=O)N[C@H](c1nnc[nH]1)c1ccccc1)c1c(Cl)cccc1Cl ZINC000446558827 870471075 /nfs/dbraw/zinc/47/10/75/870471075.db2.gz 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20 0 HIADMN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447724952 871670580 /nfs/dbraw/zinc/67/05/80/871670580.db2.gz ALSPSZFBXMQJAW-INIZCTEOSA-N 0 1 424.526 4.404 20 0 HIADMN CO[C@H]1CCOc2c(NS(=O)(=O)c3cccc(Br)c3C)cccc21 ZINC000447784835 871716867 /nfs/dbraw/zinc/71/68/67/871716867.db2.gz GAFKHHALDBMAMR-HNNXBMFYSA-N 0 1 412.305 4.028 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C)cc1OC ZINC000447787826 871722751 /nfs/dbraw/zinc/72/27/51/871722751.db2.gz RWVDBNTYLJBBPG-UHFFFAOYSA-N 0 1 409.813 4.485 20 0 HIADMN O=S(=O)(Nc1cc(Cl)cc(Cl)c1O)c1ccc(OC(F)F)c(F)c1 ZINC000447789751 871725140 /nfs/dbraw/zinc/72/51/40/871725140.db2.gz VUGJAGIKGZFKFG-UHFFFAOYSA-N 0 1 402.177 4.240 20 0 HIADMN COc1ccc(CN2CCC(Oc3ccccn3)CC2)c(OCc2cccnc2)c1 ZINC000447794391 871731986 /nfs/dbraw/zinc/73/19/86/871731986.db2.gz DIUJRUOSBKKGAN-UHFFFAOYSA-N 0 1 405.498 4.108 20 0 HIADMN COC(=O)CC1(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)CCCC1 ZINC000468525536 882542306 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CN(Cc1ccccc1Br)C(=O)CCNCc1ncc(C(C)(C)C)s1 ZINC000447936122 871818713 /nfs/dbraw/zinc/81/87/13/871818713.db2.gz MOLJJMBMHOSSGS-UHFFFAOYSA-N 0 1 424.408 4.341 20 0 HIADMN Cc1c(Br)c2ccccc2n1Cc1nc(-c2ccn3cncc3c2)no1 ZINC000447947775 871819916 /nfs/dbraw/zinc/81/99/16/871819916.db2.gz IBMYQOXCPMWNKU-UHFFFAOYSA-N 0 1 408.259 4.458 20 0 HIADMN O=C(CC1CCCCC1)NC1CCC(c2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000447951535 871821640 /nfs/dbraw/zinc/82/16/40/871821640.db2.gz BXKIFODXWSZDBY-UHFFFAOYSA-N 0 1 407.518 4.497 20 0 HIADMN c1ncn2ccc(-c3noc(-c4nc(-c5ccccc5)n(-c5ccccc5)n4)n3)cc12 ZINC000447954137 871822537 /nfs/dbraw/zinc/82/25/37/871822537.db2.gz VLINYPPTPMPJNY-UHFFFAOYSA-N 0 1 405.421 4.299 20 0 HIADMN C[C@@H]1[C@@H](C)CCCN1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000448018267 871861450 /nfs/dbraw/zinc/86/14/50/871861450.db2.gz OGIWFIYBBKYBRS-LSDHHAIUSA-N 0 1 402.926 4.001 20 0 HIADMN CCN(CCNC(=O)Nc1ccc(C(F)(F)F)c(OC)c1)CCC(F)(F)F ZINC000448082194 871906202 /nfs/dbraw/zinc/90/62/02/871906202.db2.gz VHSQNTLPVDPKJT-UHFFFAOYSA-N 0 1 401.351 4.110 20 0 HIADMN COc1ccc(OC)c(CN(C(=O)c2ccc(Nc3ccncc3)cc2)C2CC2)c1 ZINC000468537155 882569839 /nfs/dbraw/zinc/56/98/39/882569839.db2.gz PSYYQKWCHRUAAO-UHFFFAOYSA-N 0 1 403.482 4.069 20 0 HIADMN Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000448210611 872109152 /nfs/dbraw/zinc/10/91/52/872109152.db2.gz BIQRVOVFNLNMKP-UPVQGACJSA-N 0 1 422.573 4.044 20 0 HIADMN CCCCn1ncc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c1C ZINC000448297292 872229772 /nfs/dbraw/zinc/22/97/72/872229772.db2.gz MEUMSUJCRAQVTO-JOCHJYFZSA-N 0 1 413.566 4.349 20 0 HIADMN C[C@H]1CN(Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC2(CCOCC2)O1 ZINC000448363789 872312249 /nfs/dbraw/zinc/31/22/49/872312249.db2.gz CUTQLLAGGPCMEH-KRWDZBQOSA-N 0 1 414.933 4.362 20 0 HIADMN COc1cc2c(cc1CNC(=O)N1CCC[C@H]1c1nc3ccc(C)cc3[nH]1)O[C@H](C)C2 ZINC000448530533 872527172 /nfs/dbraw/zinc/52/71/72/872527172.db2.gz WJSPJADWBWSRBH-QRWLVFNGSA-N 0 1 420.513 4.250 20 0 HIADMN C[C@@H](CNC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)N1CCc2ccccc2C1 ZINC000460140445 872639683 /nfs/dbraw/zinc/63/96/83/872639683.db2.gz UUFMNZGYIXSUII-LAUBAEHRSA-N 0 1 423.561 4.021 20 0 HIADMN CN(C)Cc1ccsc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000468572245 882637195 /nfs/dbraw/zinc/63/71/95/882637195.db2.gz SXAGWLIKQMHHRZ-KRWDZBQOSA-N 0 1 422.392 4.289 20 0 HIADMN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000468583745 882664524 /nfs/dbraw/zinc/66/45/24/882664524.db2.gz FVAVRUGTGKQBOH-UHFFFAOYSA-N 0 1 406.357 4.013 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)CN3C[C@@H](C)C[C@H]3c3cccnc3)ccc2c1 ZINC000460359775 872986963 /nfs/dbraw/zinc/98/69/63/872986963.db2.gz BULQRWACUCOSKQ-UUOWRZLLSA-N 0 1 403.526 4.285 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)CN3C[C@H](C)C[C@H]3c3cccnc3)ccc2c1 ZINC000460359773 872987751 /nfs/dbraw/zinc/98/77/51/872987751.db2.gz BULQRWACUCOSKQ-KOSHJBKYSA-N 0 1 403.526 4.285 20 0 HIADMN Cc1ccc(CNCc2ccccc2OCc2cccnc2)c(-n2cc(Cl)cn2)n1 ZINC000468593373 882683258 /nfs/dbraw/zinc/68/32/58/882683258.db2.gz ZAUSDHIVYWUNBI-UHFFFAOYSA-N 0 1 419.916 4.493 20 0 HIADMN C[C@H](CNC(=O)c1ccc(CN2CCSCC2)cc1)Oc1cccc(Cl)c1 ZINC000460429988 873094752 /nfs/dbraw/zinc/09/47/52/873094752.db2.gz NZLMPXMIIMRNQH-MRXNPFEDSA-N 0 1 404.963 4.086 20 0 HIADMN Fc1ccc(C[N@H+]2CCCN(c3nnc(C4CC4)n3CCc3ccccc3)CC2)cc1 ZINC000460435105 873100802 /nfs/dbraw/zinc/10/08/02/873100802.db2.gz INLCRTWFHFJXPO-UHFFFAOYSA-N 0 1 419.548 4.250 20 0 HIADMN Fc1ccc(CN2CCCN(c3nnc(C4CC4)n3CCc3ccccc3)CC2)cc1 ZINC000460435105 873100805 /nfs/dbraw/zinc/10/08/05/873100805.db2.gz INLCRTWFHFJXPO-UHFFFAOYSA-N 0 1 419.548 4.250 20 0 HIADMN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1OC ZINC000460443617 873111536 /nfs/dbraw/zinc/11/15/36/873111536.db2.gz LURNVYVSAQXWJX-UHFFFAOYSA-N 0 1 406.287 4.210 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(C)c(NC(C)=O)c2)c(Cl)c1Cl ZINC000460449459 873121430 /nfs/dbraw/zinc/12/14/30/873121430.db2.gz PTIGJTKLZKNXIE-UHFFFAOYSA-N 0 1 403.287 4.070 20 0 HIADMN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(CN4CCSCC4)cc3)[C@@H](C)CO2)c1 ZINC000460560165 873283803 /nfs/dbraw/zinc/28/38/03/873283803.db2.gz NULPVIWAMLFCRW-GBXCKJPGSA-N 0 1 424.610 4.454 20 0 HIADMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1C[C@@]12CCOC2 ZINC000460647166 873387837 /nfs/dbraw/zinc/38/78/37/873387837.db2.gz HCNOXMOVOPKORK-RRMPHLOHSA-N 0 1 415.415 4.214 20 0 HIADMN Cc1ncc(CNCc2ccc(Oc3cccc(Br)c3)cc2)c(=O)[nH]1 ZINC000468611159 882719914 /nfs/dbraw/zinc/71/99/14/882719914.db2.gz LXYWNSCXXTUZDB-UHFFFAOYSA-N 0 1 400.276 4.335 20 0 HIADMN Cc1cccc(C)c1NCC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000460673022 873418958 /nfs/dbraw/zinc/41/89/58/873418958.db2.gz OVZHWFLAJZFZJU-UHFFFAOYSA-N 0 1 419.491 4.469 20 0 HIADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(OCc2ccccn2)cc1 ZINC000460715161 873508531 /nfs/dbraw/zinc/50/85/31/873508531.db2.gz LATAJLBZZMQSAE-JOCHJYFZSA-N 0 1 401.510 4.055 20 0 HIADMN CN(C)Cc1ccsc1C(=O)N1CCc2c(Br)ccc(Cl)c2C1 ZINC000468618729 882735252 /nfs/dbraw/zinc/73/52/52/882735252.db2.gz DRUWDQHFTABMBT-UHFFFAOYSA-N 0 1 413.768 4.424 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3)cc2)c(Cl)c1Cl ZINC000460840547 873729800 /nfs/dbraw/zinc/72/98/00/873729800.db2.gz PXTUSBRNGTZABB-UHFFFAOYSA-N 0 1 410.282 4.260 20 0 HIADMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000460877020 873786622 /nfs/dbraw/zinc/78/66/22/873786622.db2.gz RGRKUMRVBCQTAW-UHFFFAOYSA-N 0 1 417.212 4.206 20 0 HIADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000460913062 873819676 /nfs/dbraw/zinc/81/96/76/873819676.db2.gz XWRKGOUJNFFBHP-APWZRJJASA-N 0 1 424.888 4.059 20 0 HIADMN Cc1ccc(Br)cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000460986453 873874353 /nfs/dbraw/zinc/87/43/53/873874353.db2.gz ZZQFXOVJZBKQSM-UHFFFAOYSA-N 0 1 405.311 4.291 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1ccc(F)c(F)c1)N1CCCCC1 ZINC000460987464 873875288 /nfs/dbraw/zinc/87/52/88/873875288.db2.gz SWJMIHSJMGGTAL-KKSFZXQISA-N 0 1 402.485 4.420 20 0 HIADMN CC[C@@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)C1CCC(C)CC1 ZINC000461000224 873880046 /nfs/dbraw/zinc/88/00/46/873880046.db2.gz KCHKNTAJEKXEPN-YABDQXBESA-N 0 1 401.595 4.104 20 0 HIADMN COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1cc(C3CC3)[nH]n1)CCO2 ZINC000461017268 873886617 /nfs/dbraw/zinc/88/66/17/873886617.db2.gz ZXMSQVGPHZDRHP-QFIPXVFZSA-N 0 1 403.482 4.462 20 0 HIADMN CCS(=O)(=O)C[C@@H](C)NCc1ccc(Oc2cccc(Br)c2)cc1 ZINC000468644549 882780402 /nfs/dbraw/zinc/78/04/02/882780402.db2.gz CNTPQUDXEHGQHY-CQSZACIVSA-N 0 1 412.349 4.154 20 0 HIADMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000461081644 873989100 /nfs/dbraw/zinc/98/91/00/873989100.db2.gz AXRYSRODURTUMP-KRWDZBQOSA-N 0 1 417.900 4.203 20 0 HIADMN CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1Br ZINC000461083585 873993819 /nfs/dbraw/zinc/99/38/19/873993819.db2.gz FFPZOJVHLKEVGL-LJQANCHMSA-N 0 1 423.376 4.230 20 0 HIADMN O=C(NC1CC1)[C@H](N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1ccc(F)cc1 ZINC000461091844 874007392 /nfs/dbraw/zinc/00/73/92/874007392.db2.gz WJLVTWYXXFHRHC-CDHQVMDDSA-N 0 1 417.322 4.444 20 0 HIADMN CC[C@@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cccc(Cl)c1F ZINC000461096677 874013807 /nfs/dbraw/zinc/01/38/07/874013807.db2.gz HLZCTYKNAJGRSI-QGZVFWFLSA-N 0 1 408.901 4.196 20 0 HIADMN CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc(Cl)c1F ZINC000461115636 874040607 /nfs/dbraw/zinc/04/06/07/874040607.db2.gz WOPUZLWIAMDTOT-HXUWFJFHSA-N 0 1 403.929 4.108 20 0 HIADMN CN(CCc1cccc(Br)c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000461118787 874044321 /nfs/dbraw/zinc/04/43/21/874044321.db2.gz OUAGSKMDOMXYGT-SFHVURJKSA-N 0 1 420.351 4.063 20 0 HIADMN Cc1nnc(SCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)[nH]1 ZINC000468657186 882793450 /nfs/dbraw/zinc/79/34/50/882793450.db2.gz CWXOCEFMTWVYEX-UHFFFAOYSA-N 0 1 415.906 4.058 20 0 HIADMN Cc1n[nH]c(SCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)n1 ZINC000468657186 882793471 /nfs/dbraw/zinc/79/34/71/882793471.db2.gz CWXOCEFMTWVYEX-UHFFFAOYSA-N 0 1 415.906 4.058 20 0 HIADMN CC[C@H](CN(C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1)Oc1ccc(Cl)c(Cl)c1 ZINC000468662895 882798516 /nfs/dbraw/zinc/79/85/16/882798516.db2.gz PLKZGHYWSCHEGY-IUODEOHRSA-N 0 1 413.349 4.455 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)n[nH]1 ZINC000468664187 882800609 /nfs/dbraw/zinc/80/06/09/882800609.db2.gz XKWBDYPACDHTAS-NSHDSACASA-N 0 1 414.859 4.352 20 0 HIADMN COCCCCc1cccnc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000461207912 874210359 /nfs/dbraw/zinc/21/03/59/874210359.db2.gz PKNWDNHBUGUYKI-UHFFFAOYSA-N 0 1 402.438 4.179 20 0 HIADMN Cc1csc([C@@H](C)CNCc2ncc(Br)cc2Br)n1 ZINC000474008147 888866190 /nfs/dbraw/zinc/86/61/90/888866190.db2.gz FNESCASJSSKRMU-QMMMGPOBSA-N 0 1 405.159 4.265 20 0 HIADMN O=C(Cc1ccc(NC(=O)c2cn[nH]c2-c2ccncc2)cc1)Nc1ccccc1F ZINC000468693997 882816225 /nfs/dbraw/zinc/81/62/25/882816225.db2.gz MGFCMQCYXAFEBP-UHFFFAOYSA-N 0 1 415.428 4.044 20 0 HIADMN CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cccs2)CC1 ZINC000461328021 874339154 /nfs/dbraw/zinc/33/91/54/874339154.db2.gz VCVUGBDHWMSZBJ-UHFFFAOYSA-N 0 1 413.616 4.131 20 0 HIADMN Cc1nn(C)c2cc(NS(=O)(=O)c3cc(Cl)ccc3C(F)(F)F)ccc12 ZINC000461331479 874341610 /nfs/dbraw/zinc/34/16/10/874341610.db2.gz HBGFUEQEPNHRIK-UHFFFAOYSA-N 0 1 403.813 4.355 20 0 HIADMN CN(C)[C@H](C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1c(F)cccc1Cl ZINC000468710209 882824261 /nfs/dbraw/zinc/82/42/61/882824261.db2.gz RAMDUMMAMRFHQB-MJGOQNOKSA-N 0 1 416.884 4.448 20 0 HIADMN CC(C)OCc1nc([C@@H](C)NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)no1 ZINC000461395601 874406042 /nfs/dbraw/zinc/40/60/42/874406042.db2.gz GYFXFNDKPJXITD-GOSISDBHSA-N 0 1 422.529 4.118 20 0 HIADMN CCCN(C(=O)c1cccs1)C1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461396169 874406103 /nfs/dbraw/zinc/40/61/03/874406103.db2.gz YPIBHCMHSWGOST-LJQANCHMSA-N 0 1 419.635 4.102 20 0 HIADMN O=S1(=O)CCCN1c1ccc(CNCc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000461402400 874414063 /nfs/dbraw/zinc/41/40/63/874414063.db2.gz BPRJTQNHMGJGHE-UHFFFAOYSA-N 0 1 416.930 4.430 20 0 HIADMN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1[nH]nc3ccc(Br)cc31)C2 ZINC000461456028 874516699 /nfs/dbraw/zinc/51/66/99/874516699.db2.gz NAKYRCHTMPSOTP-UHFFFAOYSA-N 0 1 412.287 4.022 20 0 HIADMN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000461559616 874652189 /nfs/dbraw/zinc/65/21/89/874652189.db2.gz CIRUSYSEBTWOMP-UHFFFAOYSA-N 0 1 423.904 4.028 20 0 HIADMN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C1(N2CCOCC2)CCCC1 ZINC000461583111 874691685 /nfs/dbraw/zinc/69/16/85/874691685.db2.gz WYQWUFWVEZYYMQ-UAGQMJEPSA-N 0 1 411.373 4.247 20 0 HIADMN CC(C)(NCCCOc1cccc(I)c1)c1nccs1 ZINC000468772645 882853345 /nfs/dbraw/zinc/85/33/45/882853345.db2.gz AUYCKGBGAAJLEV-UHFFFAOYSA-N 0 1 402.301 4.042 20 0 HIADMN C[C@H](CC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1c[nH]c2ccccc21 ZINC000468786068 882859266 /nfs/dbraw/zinc/85/92/66/882859266.db2.gz BTGUCZOZTHBPHS-MSOLQXFVSA-N 0 1 422.548 4.430 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)CCOc3ccccc3Br)cccc21 ZINC000468785724 882859778 /nfs/dbraw/zinc/85/97/78/882859778.db2.gz BHNUDFTVFLPMOD-QGZVFWFLSA-N 0 1 419.319 4.242 20 0 HIADMN Cc1c([C@H](C)NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000468789125 882860683 /nfs/dbraw/zinc/86/06/83/882860683.db2.gz CKCBKPWLWHFZGJ-KSZLIROESA-N 0 1 412.578 4.047 20 0 HIADMN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000468794545 882862988 /nfs/dbraw/zinc/86/29/88/882862988.db2.gz BRITZOQGFKUKBP-HXUWFJFHSA-N 0 1 420.513 4.299 20 0 HIADMN O=C(N[C@@H]1COc2cccc(Cl)c21)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000461702078 874852762 /nfs/dbraw/zinc/85/27/62/874852762.db2.gz BYNXWKIWVDDKFW-HZPDHXFCSA-N 0 1 409.877 4.105 20 0 HIADMN O=C(N[C@@H]1COc2cccc(Cl)c21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000461702078 874852763 /nfs/dbraw/zinc/85/27/63/874852763.db2.gz BYNXWKIWVDDKFW-HZPDHXFCSA-N 0 1 409.877 4.105 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)c(N)c1Cl)N1CCCC1 ZINC000468816844 882874262 /nfs/dbraw/zinc/87/42/62/882874262.db2.gz DFSLOKUIGIRJGW-MRXNPFEDSA-N 0 1 408.329 4.151 20 0 HIADMN CCC[C@H](N[C@H](C)c1cnn(C(C)(C)C)c1C)C(=O)N1CCc2sccc2C1 ZINC000468823908 882877510 /nfs/dbraw/zinc/87/75/10/882877510.db2.gz DNFFBHGQMACXCK-BEFAXECRSA-N 0 1 402.608 4.412 20 0 HIADMN O=C(CCCCc1cn[nH]n1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000468826146 882879049 /nfs/dbraw/zinc/87/90/49/882879049.db2.gz COCFZVKJIMRSEN-UHFFFAOYSA-N 0 1 403.939 4.187 20 0 HIADMN COC(=O)CCCC(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000461823532 874949703 /nfs/dbraw/zinc/94/97/03/874949703.db2.gz CYEPTBBMNNPUPC-UHFFFAOYSA-N 0 1 416.275 4.274 20 0 HIADMN COc1ccc2oc([C@@H](C)NC(=O)CCN3CCN(c4ccccc4)CC3)c(C)c2c1 ZINC000468840138 882884457 /nfs/dbraw/zinc/88/44/57/882884457.db2.gz CYNPAXSKHKOUMQ-LJQANCHMSA-N 0 1 421.541 4.139 20 0 HIADMN COc1cc(Br)ccc1[C@H](C)N[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000468848237 882888557 /nfs/dbraw/zinc/88/85/57/882888557.db2.gz FDDGLBXOAVTOMN-QWHCGFSZSA-N 0 1 423.376 4.143 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccsc1 ZINC000461898721 875044212 /nfs/dbraw/zinc/04/42/12/875044212.db2.gz NKUAPAOTJPAJFJ-INIZCTEOSA-N 0 1 409.433 4.455 20 0 HIADMN CCN(C(=O)c1cccc(CN2CCN(C)CC2)c1)[C@H](C)c1cc2ccccc2o1 ZINC000461970117 875093767 /nfs/dbraw/zinc/09/37/67/875093767.db2.gz JWIYSXZFXCAVFB-LJQANCHMSA-N 0 1 405.542 4.404 20 0 HIADMN COc1cccc(C2(CNC(=O)N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000461986905 875106226 /nfs/dbraw/zinc/10/62/26/875106226.db2.gz YRFYCOZEPCXTSJ-HXUWFJFHSA-N 0 1 417.513 4.059 20 0 HIADMN COc1cccc(C2(CNC(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000461986905 875106234 /nfs/dbraw/zinc/10/62/34/875106234.db2.gz YRFYCOZEPCXTSJ-HXUWFJFHSA-N 0 1 417.513 4.059 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000462027789 875143956 /nfs/dbraw/zinc/14/39/56/875143956.db2.gz NRPDVAHJGGLSMT-GOSISDBHSA-N 0 1 424.614 4.427 20 0 HIADMN C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(C(F)(F)F)cc1 ZINC000462159108 875254604 /nfs/dbraw/zinc/25/46/04/875254604.db2.gz OEYMGBUYNCRCMN-IUODEOHRSA-N 0 1 407.440 4.351 20 0 HIADMN CCc1ccc([C@@H](COC)NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)o1 ZINC000462314510 875434506 /nfs/dbraw/zinc/43/45/06/875434506.db2.gz FEFRXDCSSGXXFZ-CYBMUJFWSA-N 0 1 411.829 4.180 20 0 HIADMN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000462322952 875441472 /nfs/dbraw/zinc/44/14/72/875441472.db2.gz AXYSEOZCGCRGCT-KBXCAEBGSA-N 0 1 408.468 4.242 20 0 HIADMN CN1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)[C@H]1c1cccs1 ZINC000462325366 875443484 /nfs/dbraw/zinc/44/34/84/875443484.db2.gz GKSLVNGIXADBAW-PXAZEXFGSA-N 0 1 419.399 4.416 20 0 HIADMN Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c1C ZINC000462326544 875444234 /nfs/dbraw/zinc/44/42/34/875444234.db2.gz STIJTYPCNPRHOT-UYAOXDASSA-N 0 1 406.617 4.343 20 0 HIADMN Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)c1C ZINC000462326543 875444374 /nfs/dbraw/zinc/44/43/74/875444374.db2.gz STIJTYPCNPRHOT-QUCCMNQESA-N 0 1 406.617 4.343 20 0 HIADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1Br)C1CCCC1 ZINC000462345693 875459104 /nfs/dbraw/zinc/45/91/04/875459104.db2.gz AMHVWFRVKOWICM-OAHLLOKOSA-N 0 1 417.351 4.184 20 0 HIADMN Cc1ccc(CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@H]2CCc3ccccc32)cc1 ZINC000462347095 875462168 /nfs/dbraw/zinc/46/21/68/875462168.db2.gz PODKIGNUMLCWAN-YKSBVNFPSA-N 0 1 400.526 4.475 20 0 HIADMN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000462349427 875463741 /nfs/dbraw/zinc/46/37/41/875463741.db2.gz SMTBOYTWYWIFAS-WIYYLYMNSA-N 0 1 418.541 4.119 20 0 HIADMN Cc1nc2c(s1)[C@H](N[C@H]1CCN(c3ccc(Br)c(C)c3)C1=O)CCC2 ZINC000462363198 875476568 /nfs/dbraw/zinc/47/65/68/875476568.db2.gz YGLPSPJEILGBCA-SJORKVTESA-N 0 1 420.376 4.295 20 0 HIADMN Cc1c([C@H](C)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cnn1C(C)(C)C ZINC000468898693 882947028 /nfs/dbraw/zinc/94/70/28/882947028.db2.gz HIYLFQXHJXAEJK-XOBRGWDASA-N 0 1 404.505 4.067 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)NCc3ccc(C(F)F)cc3)cc2)C[C@H](C)O1 ZINC000462505960 875621766 /nfs/dbraw/zinc/62/17/66/875621766.db2.gz RLSPWMUULCCGQQ-IRXDYDNUSA-N 0 1 417.500 4.233 20 0 HIADMN Fc1ccc(-c2n[nH]cc2CNCc2cc(Br)cc3c2OCC3)cc1 ZINC000462522972 875641184 /nfs/dbraw/zinc/64/11/84/875641184.db2.gz GMCMECHRXZKLES-UHFFFAOYSA-N 0 1 402.267 4.203 20 0 HIADMN CCCCCN(C)c1ccc(F)cc1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000462538430 875657805 /nfs/dbraw/zinc/65/78/05/875657805.db2.gz NPARCRPVIVHLKE-UHFFFAOYSA-N 0 1 418.532 4.113 20 0 HIADMN CCc1ccc(-c2ccc(CNCc3cccc(N4CCCS4(=O)=O)c3)o2)cc1 ZINC000462541324 875662577 /nfs/dbraw/zinc/66/25/77/875662577.db2.gz BAMLMXVQVCJTIG-UHFFFAOYSA-N 0 1 410.539 4.339 20 0 HIADMN Fc1ccccc1-c1n[nH]cc1CNCc1cc(Br)cc2c1OCC2 ZINC000462559888 875686421 /nfs/dbraw/zinc/68/64/21/875686421.db2.gz YNKKWHCOLFPLKB-UHFFFAOYSA-N 0 1 402.267 4.203 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@H]1C[C@H](c3ccc(Br)cc3)C1)C2 ZINC000462627514 875739861 /nfs/dbraw/zinc/73/98/61/875739861.db2.gz PJERQUAJLBLAOM-ZOBUZTSGSA-N 0 1 416.363 4.463 20 0 HIADMN Cc1ccc2nc(CNC(=O)N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)cn2c1 ZINC000462740053 875811570 /nfs/dbraw/zinc/81/15/70/875811570.db2.gz ABVZLELKBYERPP-GOSISDBHSA-N 0 1 408.893 4.219 20 0 HIADMN Cc1ccc(-c2ncc(CN[C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)s2)cc1 ZINC000462759251 875822388 /nfs/dbraw/zinc/82/23/88/875822388.db2.gz YOEAOLXWVVXHFK-BAGYTPMASA-N 0 1 403.551 4.365 20 0 HIADMN COc1cc(Br)ccc1[C@@H](C)N[C@@H](C)C(=O)NCc1ccccc1C ZINC000468911104 882967143 /nfs/dbraw/zinc/96/71/43/882967143.db2.gz JFWJFVOFIIUDAM-CABCVRRESA-N 0 1 405.336 4.122 20 0 HIADMN C[C@H](N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1csc(-c2ccccc2F)n1 ZINC000462799349 875848737 /nfs/dbraw/zinc/84/87/37/875848737.db2.gz SXUUTTOKFGYXIA-FUHWJXTLSA-N 0 1 409.530 4.443 20 0 HIADMN CCOC(=O)c1csc(CCN[C@H](C)c2csc(-c3ccccc3F)n2)n1 ZINC000462803685 875851338 /nfs/dbraw/zinc/85/13/38/875851338.db2.gz OLLNAMKPSGQGOQ-GFCCVEGCSA-N 0 1 405.520 4.476 20 0 HIADMN C[C@@H](NCc1c2c(nn1C)CCCC2)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000462821807 875860167 /nfs/dbraw/zinc/86/01/67/875860167.db2.gz YUQJGXJCKZSISP-SJLPKXTDSA-N 0 1 401.526 4.237 20 0 HIADMN Cc1nc(-c2cc([C@@H](C)NCc3cnc(N4CCOCC4)c(F)c3)cs2)cs1 ZINC000462837802 875872279 /nfs/dbraw/zinc/87/22/79/875872279.db2.gz GNNYLFNGVRMFIP-CYBMUJFWSA-N 0 1 418.563 4.402 20 0 HIADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1 ZINC000462838992 875873520 /nfs/dbraw/zinc/87/35/20/875873520.db2.gz LHJDTPNFMWBEBH-JXFKEZNVSA-N 0 1 412.917 4.207 20 0 HIADMN Cc1ccccc1[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000462842741 875878085 /nfs/dbraw/zinc/87/80/85/875878085.db2.gz ZFHGKAVGLPDAAQ-XMMPIXPASA-N 0 1 406.551 4.414 20 0 HIADMN CC[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1Br ZINC000462847350 875882085 /nfs/dbraw/zinc/88/20/85/875882085.db2.gz ZEEDQAGTDOTJKN-LJQANCHMSA-N 0 1 423.376 4.230 20 0 HIADMN Cn1nc2c(c1CNCc1cc(Br)cc(C(F)(F)F)c1)CCCC2 ZINC000462864617 875894920 /nfs/dbraw/zinc/89/49/20/875894920.db2.gz ZDUNCIHSUYQMCH-UHFFFAOYSA-N 0 1 402.258 4.370 20 0 HIADMN COc1cc(C)c(Br)cc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000462865296 875896626 /nfs/dbraw/zinc/89/66/26/875896626.db2.gz XONZPCIYMKKDMF-HNNXBMFYSA-N 0 1 412.353 4.252 20 0 HIADMN Cn1nc2c(c1CNCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1)CCCC2 ZINC000462874791 875904012 /nfs/dbraw/zinc/90/40/12/875904012.db2.gz FBSUHFGMSLSABJ-KRWDZBQOSA-N 0 1 421.385 4.461 20 0 HIADMN Cc1[nH]c(S(=O)(=O)Cc2ncc(-c3ccccc3F)o2)nc1Cc1ccccc1 ZINC000462972261 875985080 /nfs/dbraw/zinc/98/50/80/875985080.db2.gz IZFOOYQYJCFWJN-UHFFFAOYSA-N 0 1 411.458 4.077 20 0 HIADMN Cc1cccc2ncc(CN[C@@H](C)c3ccc(Br)cc3OCCCO)n21 ZINC000463005003 876018444 /nfs/dbraw/zinc/01/84/44/876018444.db2.gz CAHMWQCELIXOEM-HNNXBMFYSA-N 0 1 418.335 4.017 20 0 HIADMN CCOc1ccc(CN[C@H](C)c2ccc(Br)cc2OCCCO)cc1 ZINC000463042956 876068429 /nfs/dbraw/zinc/06/84/29/876068429.db2.gz LADYVASYBXHEND-OAHLLOKOSA-N 0 1 408.336 4.460 20 0 HIADMN COC(=O)c1cc(Br)cc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)c1 ZINC000463059443 876087833 /nfs/dbraw/zinc/08/78/33/876087833.db2.gz YLXOFUWWNZYELF-UHFFFAOYSA-N 0 1 413.231 4.137 20 0 HIADMN Cn1nc2c(cc1=O)CN(Cc1ccc(Oc3cccc(Cl)c3Cl)cc1)CC2 ZINC000463060287 876087950 /nfs/dbraw/zinc/08/79/50/876087950.db2.gz JBJNNQIIBMCEJH-UHFFFAOYSA-N 0 1 416.308 4.438 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)[C@H](C)C(F)(F)F)cc3)CC2)c1 ZINC000463105072 876141984 /nfs/dbraw/zinc/14/19/84/876141984.db2.gz KBVFOVMQIFFJKG-KRWDZBQOSA-N 0 1 405.464 4.454 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3SCCc4sccc43)cc2)C[C@H](C)O1 ZINC000463107200 876144755 /nfs/dbraw/zinc/14/47/55/876144755.db2.gz QCURFFBLNRYCSI-MRUHUIDDSA-N 0 1 416.612 4.004 20 0 HIADMN CCn1cnnc1-c1cccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)c1 ZINC000463112740 876151184 /nfs/dbraw/zinc/15/11/84/876151184.db2.gz WHOGDQWKDQEPRG-UHFFFAOYSA-N 0 1 424.411 4.209 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(Cl)c(C)c3)CC2)c1C ZINC000468933964 882999429 /nfs/dbraw/zinc/99/94/29/882999429.db2.gz MBDYNJJDIFEKIX-UHFFFAOYSA-N 0 1 415.965 4.405 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)NCc1ccc(C(F)F)cc1)N1CCCC1 ZINC000463147172 876199980 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O=C(Nc1cc(F)ccc1OC(F)F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000470268362 884619028 /nfs/dbraw/zinc/61/90/28/884619028.db2.gz LVYNVFZTTZEQAK-UHFFFAOYSA-N 0 1 411.399 4.352 20 0 HIADMN O=C(CCC(=O)c1ccc(Cl)cn1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000470268569 884620987 /nfs/dbraw/zinc/62/09/87/884620987.db2.gz NBDFCVZSZYUDTQ-HSZRJFAPSA-N 0 1 418.884 4.480 20 0 HIADMN CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470274549 884631982 /nfs/dbraw/zinc/63/19/82/884631982.db2.gz KSXPNNKYHBERNX-RTBURBONSA-N 0 1 408.468 4.496 20 0 HIADMN CN(C)[C@@H](CNC(=O)N1CCC[C@H]1c1cccn1C)c1cccc(C(F)(F)F)c1 ZINC000470277358 884637714 /nfs/dbraw/zinc/63/77/14/884637714.db2.gz AEYQEVWEPCWZEW-OALUTQOASA-N 0 1 408.468 4.193 20 0 HIADMN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470279297 884642115 /nfs/dbraw/zinc/64/21/15/884642115.db2.gz RVNKLTMHHAUJEL-FOIQADDNSA-N 0 1 423.479 4.286 20 0 HIADMN COc1cccc([C@H](CNC(=O)Nc2cc(F)ccc2OC(F)F)N2CCCC2)c1 ZINC000470280431 884645102 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421.324 4.437 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CSCc1cc(-c2cccs2)on1 ZINC000470339188 884726096 /nfs/dbraw/zinc/72/60/96/884726096.db2.gz YVOOKSGFTWWHHW-UHFFFAOYSA-N 0 1 404.561 4.316 20 0 HIADMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000470342392 884731023 /nfs/dbraw/zinc/73/10/23/884731023.db2.gz LBBDHJQLZADWSC-UHFFFAOYSA-N 0 1 400.523 4.474 20 0 HIADMN COCC[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccco1 ZINC000503907310 912859425 /nfs/dbraw/zinc/85/94/25/912859425.db2.gz IKHBOQYZBLQORJ-FQEVSTJZSA-N 0 1 419.953 4.222 20 0 HIADMN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@H]3CCCc4[nH]ncc43)C2)n1 ZINC000470399728 884805648 /nfs/dbraw/zinc/80/56/48/884805648.db2.gz CEOZTMJBCAYYGK-HOTGVXAUSA-N 0 1 422.554 4.368 20 0 HIADMN CS(=O)(=O)c1cccc([C@@H](NCCc2ccccc2)c2cc(F)ccc2F)c1 ZINC000503935277 912871827 /nfs/dbraw/zinc/87/18/27/912871827.db2.gz WVKGKDOGKPQJGQ-JOCHJYFZSA-N 0 1 401.478 4.290 20 0 HIADMN C[C@@H](NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccsc1 ZINC000470441133 884839105 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CC[C@@H](c1ccccc1OC)N(C)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000479821782 895138384 /nfs/dbraw/zinc/13/83/84/895138384.db2.gz YIHJAZIAQXUZCW-QHCPKHFHSA-N 0 1 424.589 4.000 20 0 HIADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000479827502 895145000 /nfs/dbraw/zinc/14/50/00/895145000.db2.gz GNHNZWOADOKZQY-MLGOLLRUSA-N 0 1 413.356 4.247 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC000479845640 895174637 /nfs/dbraw/zinc/17/46/37/895174637.db2.gz FSXMMMWLTNDMAQ-UHFFFAOYSA-N 0 1 407.558 4.033 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@H](C)c2ccncc2)CC1 ZINC000479895429 895243550 /nfs/dbraw/zinc/24/35/50/895243550.db2.gz OHIZKSWKZCMZAN-MRXNPFEDSA-N 0 1 401.942 4.102 20 0 HIADMN Cc1nc(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000479899707 895246813 /nfs/dbraw/zinc/24/68/13/895246813.db2.gz RFNJWUJFDOHJDF-UHFFFAOYSA-N 0 1 411.493 4.056 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CCSc4ccc(F)cc43)n2)cc1 ZINC000479915932 895262864 /nfs/dbraw/zinc/26/28/64/895262864.db2.gz RMWLFCYXGQWWKY-INIZCTEOSA-N 0 1 414.531 4.365 20 0 HIADMN Cc1c(Br)cccc1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000479940965 895292613 /nfs/dbraw/zinc/29/26/13/895292613.db2.gz OWTGYUFANGNRNL-UHFFFAOYSA-N 0 1 419.388 4.488 20 0 HIADMN CC[C@H](NCc1c(C)nn(-c2ccccc2)c1C)c1ccccc1OCC(=O)N(C)C ZINC000479990131 895343686 /nfs/dbraw/zinc/34/36/86/895343686.db2.gz XOPXBZQAIHOQII-QHCPKHFHSA-N 0 1 420.557 4.197 20 0 HIADMN Cc1ccc([C@H](CNC(=O)Cc2cccc(Br)c2C)N2CCCC2)o1 ZINC000480033702 895383094 /nfs/dbraw/zinc/38/30/94/895383094.db2.gz IKVQJTWSNSCQMP-SFHVURJKSA-N 0 1 405.336 4.155 20 0 HIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc(COc2cccc(F)c2)c1 ZINC000480059316 895407484 /nfs/dbraw/zinc/40/74/84/895407484.db2.gz UEVIBSJINFMFAX-UHFFFAOYSA-N 0 1 407.420 4.393 20 0 HIADMN Cn1nc(CC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c2ccccc2c1=O ZINC000480080502 895436073 /nfs/dbraw/zinc/43/60/73/895436073.db2.gz BYDBTZKJLFWNGU-UHFFFAOYSA-N 0 1 415.497 4.039 20 0 HIADMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000480081967 895438448 /nfs/dbraw/zinc/43/84/48/895438448.db2.gz MBDNHHOKHWWTPT-UHFFFAOYSA-N 0 1 405.502 4.427 20 0 HIADMN O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000480084412 895443648 /nfs/dbraw/zinc/44/36/48/895443648.db2.gz AYYNIFBKIPLQHQ-NRFANRHFSA-N 0 1 401.514 4.438 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3ccccc3OC(F)F)n2)cc1 ZINC000480109141 895480598 /nfs/dbraw/zinc/48/05/98/895480598.db2.gz JMXYXERVYNTKKF-ZDUSSCGKSA-N 0 1 418.469 4.351 20 0 HIADMN CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[S@](C)=O)N(C)C)cc1 ZINC000480118055 895491579 /nfs/dbraw/zinc/49/15/79/895491579.db2.gz BRLGCHGPPWNFSC-ZTOMLWHTSA-N 0 1 415.603 4.188 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H]3CCc4cnn(C(C)C)c4C3)[nH]c2c1 ZINC000480134835 895513128 /nfs/dbraw/zinc/51/31/28/895513128.db2.gz HRDAMUHVGJQQST-FXAWDEMLSA-N 0 1 406.534 4.053 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C)[C@@H]2C)c1 ZINC000480138301 895516921 /nfs/dbraw/zinc/51/69/21/895516921.db2.gz MOACSDJDHPOZSY-KBPBESRZSA-N 0 1 422.934 4.020 20 0 HIADMN Cc1cccc(O[C@H](C)CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480173072 895565186 /nfs/dbraw/zinc/56/51/86/895565186.db2.gz YCUJKCJLARENBR-KDOFPFPSSA-N 0 1 424.360 4.033 20 0 HIADMN Cc1cccc(O[C@@H](C)CN[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480173071 895565405 /nfs/dbraw/zinc/56/54/05/895565405.db2.gz YCUJKCJLARENBR-KBXCAEBGSA-N 0 1 424.360 4.033 20 0 HIADMN COc1cc(C)c(Br)cc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000480181592 895576155 /nfs/dbraw/zinc/57/61/55/895576155.db2.gz SIIAQMRGXPPLHD-UHFFFAOYSA-N 0 1 424.339 4.345 20 0 HIADMN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000480200852 895600329 /nfs/dbraw/zinc/60/03/29/895600329.db2.gz XHMMWGQKMKERCJ-UHFFFAOYSA-N 0 1 423.705 4.415 20 0 HIADMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Br)c(F)cc2C)c1C ZINC000480240861 895650474 /nfs/dbraw/zinc/65/04/74/895650474.db2.gz MJYFBWNQPZCJNL-SNVBAGLBSA-N 0 1 404.305 4.173 20 0 HIADMN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1C ZINC000480243167 895654480 /nfs/dbraw/zinc/65/44/80/895654480.db2.gz DHRJDGLJYCEJSE-QMMMGPOBSA-N 0 1 408.268 4.004 20 0 HIADMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2nccn2-c2ccccc2)c1 ZINC000480288380 895694574 /nfs/dbraw/zinc/69/45/74/895694574.db2.gz UQSICTNCOQIORO-GOSISDBHSA-N 0 1 421.520 4.436 20 0 HIADMN O=C1[C@H](NCc2cc(Br)c(Cl)s2)CCN1c1ccccc1F ZINC000480355896 895761387 /nfs/dbraw/zinc/76/13/87/895761387.db2.gz KSGGIPICDMDXFT-GFCCVEGCSA-N 0 1 403.704 4.198 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1)N1CCCCC1 ZINC000480381258 895787722 /nfs/dbraw/zinc/78/77/22/895787722.db2.gz WFHPWAPJELFLNT-RCZSKKKRSA-N 0 1 417.594 4.115 20 0 HIADMN O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1cc(-c2ccccc2)n[nH]1 ZINC000480385485 895791932 /nfs/dbraw/zinc/79/19/32/895791932.db2.gz PIWPDDXMAQIKTD-UHFFFAOYSA-N 0 1 408.465 4.316 20 0 HIADMN CCC[C@H](NCc1ccc(N(C)C(C)C)nc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000480388286 895795204 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COc1cccc(-c2cc(C(=O)Nc3cc(F)ccc3OCC(F)(F)F)[nH]n2)c1 ZINC000480454865 895842441 /nfs/dbraw/zinc/84/24/41/895842441.db2.gz QTYHHYNXBZZTKM-UHFFFAOYSA-N 0 1 409.339 4.418 20 0 HIADMN O=C(CC1CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1)N1CCCC1 ZINC000480527690 895890695 /nfs/dbraw/zinc/89/06/95/895890695.db2.gz PWFFNFSNVHQIRS-UHFFFAOYSA-N 0 1 411.521 4.024 20 0 HIADMN O=C(C1CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1)N1CCCCC1 ZINC000480530058 895893479 /nfs/dbraw/zinc/89/34/79/895893479.db2.gz OHQVVXLUTZZDQK-UHFFFAOYSA-N 0 1 411.521 4.024 20 0 HIADMN COc1cc([C@H](C)NCc2cccnc2OCC(F)(F)F)ccc1OC(F)F ZINC000480532254 895894644 /nfs/dbraw/zinc/89/46/44/895894644.db2.gz ZZKOCKTUBVZFIC-NSHDSACASA-N 0 1 406.351 4.484 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)n[nH]1 ZINC000480564140 895924942 /nfs/dbraw/zinc/92/49/42/895924942.db2.gz AIDOLJPCOMXLRK-ZDUSSCGKSA-N 0 1 411.893 4.377 20 0 HIADMN CC(C)(C)C(=O)N1CCC(CN2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000480565415 895926816 /nfs/dbraw/zinc/92/68/16/895926816.db2.gz WJTKKKNCXMIEAZ-IBGZPJMESA-N 0 1 412.496 4.363 20 0 HIADMN COc1cc(OC)c([C@@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1Cl ZINC000480601497 895965900 /nfs/dbraw/zinc/96/59/00/895965900.db2.gz AMSSJOGOLNESDA-OWCLPIDISA-N 0 1 419.953 4.217 20 0 HIADMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(Br)s1 ZINC000480612096 895978957 /nfs/dbraw/zinc/97/89/57/895978957.db2.gz NACSCWYUWUTHPC-MJBXVCDLSA-N 0 1 410.381 4.370 20 0 HIADMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccccc1OC(F)(F)F ZINC000480612275 895979289 /nfs/dbraw/zinc/97/92/89/895979289.db2.gz LELRBXMFGZJOBK-XHSDSOJGSA-N 0 1 409.452 4.445 20 0 HIADMN COc1cc([C@H](C)NCc2ccnc(OCC(F)(F)F)c2)ccc1OC(F)F ZINC000480632833 896002991 /nfs/dbraw/zinc/00/29/91/896002991.db2.gz VQDSVZWSCAELJQ-NSHDSACASA-N 0 1 406.351 4.484 20 0 HIADMN CC(=O)Nc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000480658581 896026025 /nfs/dbraw/zinc/02/60/25/896026025.db2.gz KSDIZBJJRKHTIC-UGSOOPFHSA-N 0 1 405.420 4.120 20 0 HIADMN Cc1ccc(OCCCC(=O)Nc2ccc(CN[C@@H](C)c3cnn(C)c3)cc2)cc1 ZINC000480695887 896058918 /nfs/dbraw/zinc/05/89/18/896058918.db2.gz RZMQXPZNBFTLPZ-IBGZPJMESA-N 0 1 406.530 4.377 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000480698747 896060779 /nfs/dbraw/zinc/06/07/79/896060779.db2.gz NZZNUHKKBDZKMA-OALUTQOASA-N 0 1 416.587 4.288 20 0 HIADMN Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1ccc(CC(F)(F)F)cc1)N(C)C ZINC000480713758 896076060 /nfs/dbraw/zinc/07/60/60/896076060.db2.gz YWRMUQPZMNSEMM-DNVCBOLYSA-N 0 1 414.493 4.070 20 0 HIADMN COc1ccc([C@@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)cc1Br ZINC000480728143 896087890 /nfs/dbraw/zinc/08/78/90/896087890.db2.gz FKFZNFBUAKQOEP-DNVCBOLYSA-N 0 1 417.347 4.472 20 0 HIADMN Cc1ccccc1OCCCC(=O)Nc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000480743966 896105942 /nfs/dbraw/zinc/10/59/42/896105942.db2.gz XDAJFLXNVDCCJK-IBGZPJMESA-N 0 1 406.530 4.377 20 0 HIADMN CCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1OC 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O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cnc(C(F)(F)F)nc1 ZINC000488639956 902913961 /nfs/dbraw/zinc/91/39/61/902913961.db2.gz RRMJRTNFGABXOJ-UHFFFAOYSA-N 0 1 401.323 4.430 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c(Cl)cccc2OC)CC1 ZINC000488665645 902928382 /nfs/dbraw/zinc/92/83/82/902928382.db2.gz FOWVKYKIAVQKGT-HNNXBMFYSA-N 0 1 419.928 4.121 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1cccc(F)c1 ZINC000506004543 914677021 /nfs/dbraw/zinc/67/70/21/914677021.db2.gz BNFHMKQYMSGRFX-JOCHJYFZSA-N 0 1 405.473 4.111 20 0 HIADMN O=C(c1cnc(C2CC2)[nH]1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000488828971 903028742 /nfs/dbraw/zinc/02/87/42/903028742.db2.gz RGFLZOJVBSHZNG-UHFFFAOYSA-N 0 1 410.518 4.113 20 0 HIADMN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488897512 903065634 /nfs/dbraw/zinc/06/56/34/903065634.db2.gz LKFNPOYBEVRMOY-UHFFFAOYSA-N 0 1 402.433 4.086 20 0 HIADMN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000488920470 903077207 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20 0 HIADMN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cc(Br)cc2nc[nH]c21 ZINC000506015029 914691231 /nfs/dbraw/zinc/69/12/31/914691231.db2.gz OEPHMFSGTHGJTG-CYBMUJFWSA-N 0 1 412.209 4.401 20 0 HIADMN COc1cc(CN(C)Cc2cnc3n[nH]c(C)c3c2)ccc1OCc1ccccc1 ZINC000506016124 914692968 /nfs/dbraw/zinc/69/29/68/914692968.db2.gz DUWWTESMINBCBL-UHFFFAOYSA-N 0 1 402.498 4.486 20 0 HIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)n[nH]1 ZINC000489211393 903267125 /nfs/dbraw/zinc/26/71/25/903267125.db2.gz DRNPULIOALZTGA-ZBFHGGJFSA-N 0 1 405.502 4.370 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)n[nH]1 ZINC000489242327 903280800 /nfs/dbraw/zinc/28/08/00/903280800.db2.gz AUTKKXOZAWNMMP-CHWSQXEVSA-N 0 1 415.929 4.167 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(Cc3ccc(OC(F)(F)F)cc3)CC2)n[nH]1 ZINC000489246066 903284154 /nfs/dbraw/zinc/28/41/54/903284154.db2.gz IGKCKUISINVOEH-QWHCGFSZSA-N 0 1 410.440 4.417 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(c3ccc(Br)cc3)CCC2)n[nH]1 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404.919 4.440 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(C(C)C)c1-c1ccccc1 ZINC000489498641 903425391 /nfs/dbraw/zinc/42/53/91/903425391.db2.gz QTRMDHXAGJYTGQ-UHFFFAOYSA-N 0 1 417.557 4.444 20 0 HIADMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(Br)c(F)c1 ZINC000489521018 903436020 /nfs/dbraw/zinc/43/60/20/903436020.db2.gz ZJFNIIWJNWDAND-QRWLVFNGSA-N 0 1 419.338 4.473 20 0 HIADMN Cc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1C(=O)N(C)C(C)C ZINC000489528863 903439839 /nfs/dbraw/zinc/43/98/39/903439839.db2.gz AGHAEWDNFQZBDC-HXUWFJFHSA-N 0 1 412.534 4.027 20 0 HIADMN C[C@H]1CN(c2ccc(CN[C@@H]3CCCOc4cc5c(cc43)CCCC5)cn2)CCO1 ZINC000489557876 903462782 /nfs/dbraw/zinc/46/27/82/903462782.db2.gz ADYYQMISZCUODV-FDDCHVKYSA-N 0 1 407.558 4.189 20 0 HIADMN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)c1C ZINC000489557499 903462962 /nfs/dbraw/zinc/46/29/62/903462962.db2.gz YUCGWZUQHBWAAJ-UHFFFAOYSA-N 0 1 418.437 4.104 20 0 HIADMN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC(n2cc(Cl)cn2)CC1 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Brc1ccc(-n2cc(CN[C@@H](c3nnc[nH]3)C3CCCCC3)cn2)cc1 ZINC000494999520 906160850 /nfs/dbraw/zinc/16/08/50/906160850.db2.gz UURHIWPKUMJEFA-GOSISDBHSA-N 0 1 415.339 4.164 20 0 HIADMN O[C@@]1(C(F)(F)F)CCCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000512522313 921213255 /nfs/dbraw/zinc/21/32/55/921213255.db2.gz RUAXEMYRYAHIGQ-INIZCTEOSA-N 0 1 403.242 4.277 20 0 HIADMN COc1cccc(Oc2ncccc2CN[C@@H](C)c2ccc(C(=O)N(C)C)cc2)c1 ZINC000495058390 906211761 /nfs/dbraw/zinc/21/17/61/906211761.db2.gz JCVKETPRLJXEHX-KRWDZBQOSA-N 0 1 405.498 4.435 20 0 HIADMN CC(=O)N(C)c1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000495061020 906213896 /nfs/dbraw/zinc/21/38/96/906213896.db2.gz BBVNZJUMSABGBT-UHFFFAOYSA-N 0 1 411.465 4.374 20 0 HIADMN COC(=O)c1[nH]c(C)c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c1C ZINC000495077829 906224556 /nfs/dbraw/zinc/22/45/56/906224556.db2.gz GPURYBBAHZNACK-UHFFFAOYSA-N 0 1 420.444 4.277 20 0 HIADMN Cn1ncc(Br)c1CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000495089501 906231520 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CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1C ZINC000512536781 921221741 /nfs/dbraw/zinc/22/17/41/921221741.db2.gz LGRKDPVJMUPUHW-LJQANCHMSA-N 0 1 404.474 4.108 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1C ZINC000512536781 921221746 /nfs/dbraw/zinc/22/17/46/921221746.db2.gz LGRKDPVJMUPUHW-LJQANCHMSA-N 0 1 404.474 4.108 20 0 HIADMN COc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c(C)c1 ZINC000512544655 921226566 /nfs/dbraw/zinc/22/65/66/921226566.db2.gz NXHFLZJIWSSCGB-KRWDZBQOSA-N 0 1 407.436 4.418 20 0 HIADMN Cc1cccc2nc(CCC(=O)N[C@@H](C)Cc3cccc(Br)c3)[nH]c21 ZINC000495259790 906345244 /nfs/dbraw/zinc/34/52/44/906345244.db2.gz NYARBWLIBHXBSG-AWEZNQCLSA-N 0 1 400.320 4.314 20 0 HIADMN COc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc(OC)c1C(C)C ZINC000495305854 906368087 /nfs/dbraw/zinc/36/80/87/906368087.db2.gz YBZPNOXJOSHCCV-KRWDZBQOSA-N 0 1 401.507 4.379 20 0 HIADMN CC[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccccc1OCC(=O)N(C)C ZINC000495439900 906452117 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DTAYFBGXIJPKDM-LPHOPBHVSA-N 0 1 423.891 4.282 20 0 HIADMN CSc1cc2c(cc1CN1CCC(n3ccc(C(F)(F)F)n3)CC1)OCCO2 ZINC000497231552 906824483 /nfs/dbraw/zinc/82/44/83/906824483.db2.gz RMLQHOOWFODGCG-UHFFFAOYSA-N 0 1 413.465 4.232 20 0 HIADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)N(CC)c2cccc3ccccc32)C1 ZINC000497376401 906864537 /nfs/dbraw/zinc/86/45/37/906864537.db2.gz JPKAMWNLWJILBY-TZIWHRDSSA-N 0 1 409.574 4.210 20 0 HIADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000497398145 906879370 /nfs/dbraw/zinc/87/93/70/906879370.db2.gz YRJIUCNFYDCLEG-XUVXKRRUSA-N 0 1 401.595 4.462 20 0 HIADMN Cc1nncn1-c1cccc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)c1 ZINC000497432276 906903954 /nfs/dbraw/zinc/90/39/54/906903954.db2.gz UYOOHSFPGJRFQQ-UHFFFAOYSA-N 0 1 411.509 4.460 20 0 HIADMN CCOC(=O)[C@@H]1CN(Cc2cccc(OCc3ccccn3)c2)Cc2ccccc21 ZINC000512658803 921278553 /nfs/dbraw/zinc/27/85/53/921278553.db2.gz ZQDKCYRJBAUDPX-XMMPIXPASA-N 0 1 402.494 4.323 20 0 HIADMN Cc1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)c(F)cc1Br ZINC000497454398 906929389 /nfs/dbraw/zinc/92/93/89/906929389.db2.gz VLQIBTVKNDJTNR-CQSZACIVSA-N 0 1 400.317 4.383 20 0 HIADMN COc1ccc(CCCN(C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000497457838 906933957 /nfs/dbraw/zinc/93/39/57/906933957.db2.gz CQTKHVAAJOUJTN-UHFFFAOYSA-N 0 1 406.530 4.001 20 0 HIADMN COc1ccc(C(=O)CCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F ZINC000497466789 906945379 /nfs/dbraw/zinc/94/53/79/906945379.db2.gz RMDYPELBDBIJKU-UHFFFAOYSA-N 0 1 409.339 4.331 20 0 HIADMN Cc1cc(C2CCN(C(=O)C3(Cc4ccccc4Br)CC3)CC2)n[nH]1 ZINC000497515780 907006884 /nfs/dbraw/zinc/00/68/84/907006884.db2.gz LODSEFKXQWJMKX-UHFFFAOYSA-N 0 1 402.336 4.210 20 0 HIADMN O=C(Nc1ccc(Cl)cc1OCC(F)F)NC1CCN(Cc2ccccn2)CC1 ZINC000497538402 907029586 /nfs/dbraw/zinc/02/95/86/907029586.db2.gz SIAALLGBIIRAPO-UHFFFAOYSA-N 0 1 424.879 4.165 20 0 HIADMN CCOc1ccc(CC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000512686933 921287425 /nfs/dbraw/zinc/28/74/25/921287425.db2.gz YZKAASKKXXSCLV-UHFFFAOYSA-N 0 1 420.475 4.381 20 0 HIADMN CC(C)C(=O)N1CCC(N[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000497540300 907032958 /nfs/dbraw/zinc/03/29/58/907032958.db2.gz LWWFUYKWWDVPQQ-IBGZPJMESA-N 0 1 405.336 4.368 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1OCC(F)F)c1ccsc1 ZINC000497544842 907035339 /nfs/dbraw/zinc/03/53/39/907035339.db2.gz GHJZWYLCBANNLN-AWEZNQCLSA-N 0 1 403.882 4.470 20 0 HIADMN Cc1nc([C@](C)(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)C2CC2)no1 ZINC000497568242 907053295 /nfs/dbraw/zinc/05/32/95/907053295.db2.gz RIEHXHVSVVGJHZ-XMMPIXPASA-N 0 1 404.514 4.065 20 0 HIADMN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000512695233 921290454 /nfs/dbraw/zinc/29/04/54/921290454.db2.gz IUJOPMCUONKEBB-LJQANCHMSA-N 0 1 416.460 4.082 20 0 HIADMN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000512695233 921290459 /nfs/dbraw/zinc/29/04/59/921290459.db2.gz IUJOPMCUONKEBB-LJQANCHMSA-N 0 1 416.460 4.082 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)NC(C)(C)c3ccccc3OC)CCN2C2CC2)c1 ZINC000497643088 907129969 /nfs/dbraw/zinc/12/99/69/907129969.db2.gz PKGYRMAMPBXVDU-GGAORHGYSA-N 0 1 423.557 4.216 20 0 HIADMN O=C(c1ccc(-c2cccc3cccnc32)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000512749456 921300923 /nfs/dbraw/zinc/30/09/23/921300923.db2.gz OKQVSGVDMIBUOY-UHFFFAOYSA-N 0 1 415.537 4.086 20 0 HIADMN CCCNC(=O)CNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000497677711 907179827 /nfs/dbraw/zinc/17/98/27/907179827.db2.gz GHQZIMLOAJJOPM-UHFFFAOYSA-N 0 1 411.329 4.197 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000497691993 907197477 /nfs/dbraw/zinc/19/74/77/907197477.db2.gz LPLOLJGPRDRRDP-GUDVDZBRSA-N 0 1 417.347 4.489 20 0 HIADMN COc1ccc([C@H](CNC(=O)CSc2ccc(F)cc2F)N2CCCCC2)cc1 ZINC000497701060 907202998 /nfs/dbraw/zinc/20/29/98/907202998.db2.gz GWBBKUMNSMXCOI-FQEVSTJZSA-N 0 1 420.525 4.409 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1(c2ccc(Br)cc2)CC1 ZINC000497706817 907213474 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COCc1ccccc1CNC(=O)CN[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000538209704 938556876 /nfs/dbraw/zinc/55/68/76/938556876.db2.gz PUYQLURDFTVQLY-DEOSSOPVSA-N 0 1 424.491 4.301 20 0 HIADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](COc1ccccc1)c1ccccc1 ZINC000538217033 938560676 /nfs/dbraw/zinc/56/06/76/938560676.db2.gz JFPPLRGRUNHPDX-XXBNENTESA-N 0 1 404.510 4.282 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1cc(F)c(Br)c(F)c1)c1cccs1 ZINC000538218807 938561819 /nfs/dbraw/zinc/56/18/19/938561819.db2.gz JBZZHXUPQFSUBP-LBPRGKRZSA-N 0 1 404.280 4.213 20 0 HIADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(-c2ccc(Cl)s2)on1 ZINC000538221990 938562985 /nfs/dbraw/zinc/56/29/85/938562985.db2.gz OZZNIXOCOCRKLJ-UHFFFAOYSA-N 0 1 417.918 4.266 20 0 HIADMN CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)cc2)cc1 ZINC000538222871 938563254 /nfs/dbraw/zinc/56/32/54/938563254.db2.gz CWKHFRITOGRCAU-LJQANCHMSA-N 0 1 419.529 4.096 20 0 HIADMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c1 ZINC000538224484 938564305 /nfs/dbraw/zinc/56/43/05/938564305.db2.gz ATPNXASMYRIPSM-CABCVRRESA-N 0 1 416.493 4.310 20 0 HIADMN COC[C@H](NCC[S@@](=O)c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000538225390 938565195 /nfs/dbraw/zinc/56/51/95/938565195.db2.gz UZGKKVGNCKSQSI-IVCQMTBJSA-N 0 1 408.297 4.357 20 0 HIADMN Cc1ccc([C@@H](NC(=O)CNC2(c3ccc4c(c3)OCO4)CC2)c2cccs2)cc1 ZINC000538232565 938566955 /nfs/dbraw/zinc/56/69/55/938566955.db2.gz DQOOIOLTJGRMIM-HSZRJFAPSA-N 0 1 420.534 4.270 20 0 HIADMN COc1ccc(-n2c(CN[C@@H](C)c3ccc(-n4ccnn4)cc3)nc3ccccc32)cc1 ZINC000538233910 938568012 /nfs/dbraw/zinc/56/80/12/938568012.db2.gz UJYWZHMYYJNDIK-SFHVURJKSA-N 0 1 424.508 4.466 20 0 HIADMN COc1ccc(-n2c(CN[C@H](C)c3ccc(-n4ccnn4)cc3)nc3ccccc32)cc1 ZINC000538233909 938568042 /nfs/dbraw/zinc/56/80/42/938568042.db2.gz UJYWZHMYYJNDIK-GOSISDBHSA-N 0 1 424.508 4.466 20 0 HIADMN C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000538235803 938568775 /nfs/dbraw/zinc/56/87/75/938568775.db2.gz OUGSITMCBRFPFG-IAGOWNOFSA-N 0 1 409.480 4.425 20 0 HIADMN COc1ccccc1-c1ccc([C@H](C)NCC(=O)NC(=O)NCc2ccccc2)cc1 ZINC000538260211 938577529 /nfs/dbraw/zinc/57/75/29/938577529.db2.gz XGHFYTFXUKGZOL-SFHVURJKSA-N 0 1 417.509 4.039 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN(S(=O)(=O)Cc4cccc5cccnc54)C3)[nH]c2c1 ZINC000538264947 938578583 /nfs/dbraw/zinc/57/85/83/938578583.db2.gz IPCOCOVUQYYMMP-GOSISDBHSA-N 0 1 420.538 4.129 20 0 HIADMN COc1ccc([C@H](CNC(=O)CCc2ccc3[nH]ccc3c2)N2CCCCC2)cc1 ZINC000538265796 938578636 /nfs/dbraw/zinc/57/86/36/938578636.db2.gz NRPMLSZAKFAOMC-DEOSSOPVSA-N 0 1 405.542 4.453 20 0 HIADMN O=C(c1ccccc1OC(F)(F)F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000538272120 938580380 /nfs/dbraw/zinc/58/03/80/938580380.db2.gz YTETZUHPHVDYBG-UHFFFAOYSA-N 0 1 416.403 4.390 20 0 HIADMN CCCCCc1nnc(NC(=O)CN[C@H](C)c2cccc(N3CCCC3)c2)s1 ZINC000538275686 938581096 /nfs/dbraw/zinc/58/10/96/938581096.db2.gz CFVKSMNRBYLGGT-MRXNPFEDSA-N 0 1 401.580 4.160 20 0 HIADMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000538289857 938584003 /nfs/dbraw/zinc/58/40/03/938584003.db2.gz DYYFXABURCKADF-SFHVURJKSA-N 0 1 414.571 4.157 20 0 HIADMN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000538306738 938588681 /nfs/dbraw/zinc/58/86/81/938588681.db2.gz WGZVDHHHPJDCLA-GOTSBHOMSA-N 0 1 411.521 4.044 20 0 HIADMN CCC[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)cc2)CCN1Cc1ccccc1 ZINC000538333350 938595492 /nfs/dbraw/zinc/59/54/92/938595492.db2.gz ZNMMYALEOXGDFB-XMMPIXPASA-N 0 1 402.542 4.058 20 0 HIADMN CCC[C@@H]1CN(C(=O)c2cccc(-c3nnc(C)o3)c2)CCN1Cc1ccccc1 ZINC000538333376 938595537 /nfs/dbraw/zinc/59/55/37/938595537.db2.gz XBLYDLARTRGEPQ-JOCHJYFZSA-N 0 1 404.514 4.172 20 0 HIADMN CCC[C@H]1CN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCN1Cc1ccccc1 ZINC000538357769 938603186 /nfs/dbraw/zinc/60/31/86/938603186.db2.gz DJNSCTTVQLOWAH-QFIPXVFZSA-N 0 1 420.557 4.480 20 0 HIADMN O=C(NCc1ccco1)c1cccc(CNCc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000538379190 938607301 /nfs/dbraw/zinc/60/73/01/938607301.db2.gz STKUOIGTFHRGRJ-UHFFFAOYSA-N 0 1 422.435 4.168 20 0 HIADMN CCC[C@H]1CN(C(=O)NCc2csc([C@H](C)OC)n2)CCN1Cc1ccccc1 ZINC000538388190 938608946 /nfs/dbraw/zinc/60/89/46/938608946.db2.gz UTUJCURJZBHPGK-PXNSSMCTSA-N 0 1 416.591 4.047 20 0 HIADMN Cc1nn(C(C)(C)C)c(C)c1CN[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000538414973 938615034 /nfs/dbraw/zinc/61/50/34/938615034.db2.gz VBZHPHRNFALXSV-DEOSSOPVSA-N 0 1 418.585 4.272 20 0 HIADMN Cc1nn(C)c(C)c1NC(=O)CN(C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538470595 938629413 /nfs/dbraw/zinc/62/94/13/938629413.db2.gz RQXJYKOIUPMNEI-ROUUACIJSA-N 0 1 408.468 4.262 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(Br)cc2C(F)(F)F)n[nH]1 ZINC000538488711 938633290 /nfs/dbraw/zinc/63/32/90/938633290.db2.gz ROUDZSONAPHENO-MRVPVSSYSA-N 0 1 405.218 4.200 20 0 HIADMN CC(=O)c1cccc(OCc2cc(C(=O)Nc3c(F)cc(C(C)=O)cc3F)no2)c1 ZINC000538542933 938645062 /nfs/dbraw/zinc/64/50/62/938645062.db2.gz PBPACSBYVXWRNT-UHFFFAOYSA-N 0 1 414.364 4.189 20 0 HIADMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cccc(-c2ccncc2)c1 ZINC000538551440 938647026 /nfs/dbraw/zinc/64/70/26/938647026.db2.gz FIDVUVDRVBSVQC-MHECFPHRSA-N 0 1 400.526 4.371 20 0 HIADMN COc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c2ccccc12 ZINC000538550474 938647146 /nfs/dbraw/zinc/64/71/46/938647146.db2.gz BNVZDQCOJKXTEL-HXOBKFHXSA-N 0 1 403.526 4.471 20 0 HIADMN Cc1[nH]c(SCC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)nc1Cc1ccccc1 ZINC000538616248 938662149 /nfs/dbraw/zinc/66/21/49/938662149.db2.gz YRQYQTPNDGFYHM-OALUTQOASA-N 0 1 401.576 4.111 20 0 HIADMN CCC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000538616704 938662466 /nfs/dbraw/zinc/66/24/66/938662466.db2.gz UQSONNVBGJGKIA-SFHVURJKSA-N 0 1 404.474 4.189 20 0 HIADMN CCC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000538616704 938662468 /nfs/dbraw/zinc/66/24/68/938662468.db2.gz UQSONNVBGJGKIA-SFHVURJKSA-N 0 1 404.474 4.189 20 0 HIADMN CN(C)c1nc2cc(NC(=O)N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)ccc2o1 ZINC000538620742 938663916 /nfs/dbraw/zinc/66/39/16/938663916.db2.gz ZRDKOJMGHJAGQW-QGZVFWFLSA-N 0 1 417.473 4.048 20 0 HIADMN CN(C)c1nc2cc(NC(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)ccc2o1 ZINC000538620742 938663917 /nfs/dbraw/zinc/66/39/17/938663917.db2.gz ZRDKOJMGHJAGQW-QGZVFWFLSA-N 0 1 417.473 4.048 20 0 HIADMN O=C(c1cnc(-c2ccncc2)s1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538644692 938671447 /nfs/dbraw/zinc/67/14/47/938671447.db2.gz MIJFOBJMPMZTSG-KRWDZBQOSA-N 0 1 422.558 4.391 20 0 HIADMN O=C(c1ccncc1Br)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538645772 938671768 /nfs/dbraw/zinc/67/17/68/938671768.db2.gz ZMUHPXGFNYKNFN-CQSZACIVSA-N 0 1 418.339 4.030 20 0 HIADMN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538645689 938671959 /nfs/dbraw/zinc/67/19/59/938671959.db2.gz FBKUTZUEOBZDPP-OAHLLOKOSA-N 0 1 423.492 4.265 20 0 HIADMN Cc1cc(C2CCN(C(=O)c3occc3CN3c4ccccc4C[C@@H]3C)CC2)n[nH]1 ZINC000538646744 938672487 /nfs/dbraw/zinc/67/24/87/938672487.db2.gz QWQSURVFRBPSBO-KRWDZBQOSA-N 0 1 404.514 4.282 20 0 HIADMN COc1ccccc1C1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000538652041 938673859 /nfs/dbraw/zinc/67/38/59/938673859.db2.gz KEGDAYCKSUKGBG-GOSISDBHSA-N 0 1 408.546 4.299 20 0 HIADMN O=C(C[C@@H]1CCOc2ccccc21)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538652924 938673876 /nfs/dbraw/zinc/67/38/76/938673876.db2.gz RPISAQHHLGEUKR-OALUTQOASA-N 0 1 402.498 4.134 20 0 HIADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538665557 938679508 /nfs/dbraw/zinc/67/95/08/938679508.db2.gz IAEPSUHSJMPICK-GOEBONIOSA-N 0 1 417.504 4.337 20 0 HIADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538665557 938679510 /nfs/dbraw/zinc/67/95/10/938679510.db2.gz IAEPSUHSJMPICK-GOEBONIOSA-N 0 1 417.504 4.337 20 0 HIADMN Fc1cc(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c2c(c1)COCO2 ZINC000538665863 938680036 /nfs/dbraw/zinc/68/00/36/938680036.db2.gz MRBABPSEXRHEBD-MRXNPFEDSA-N 0 1 400.498 4.238 20 0 HIADMN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000538696466 938685931 /nfs/dbraw/zinc/68/59/31/938685931.db2.gz LJYNWKXQOOSEOS-OAHLLOKOSA-N 0 1 407.511 4.491 20 0 HIADMN CC(=O)CCc1ccc2oc(C(=O)N[C@H]3CN(C)C[C@H]3c3ccccc3)c(C)c2c1 ZINC000538702921 938686483 /nfs/dbraw/zinc/68/64/83/938686483.db2.gz SHCDEWBHXGOPJD-VXKWHMMOSA-N 0 1 404.510 4.090 20 0 HIADMN O[C@@H]([C@H]1CCCN1Cc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC000538732777 938695516 /nfs/dbraw/zinc/69/55/16/938695516.db2.gz RSYAEHWSEAJOJM-KGLIPLIRSA-N 0 1 421.282 4.460 20 0 HIADMN Cc1cc(C(=O)NC2CCN(Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)c(C)o1 ZINC000538739958 938698040 /nfs/dbraw/zinc/69/80/40/938698040.db2.gz XDUYIVIUKUANJT-UHFFFAOYSA-N 0 1 412.921 4.334 20 0 HIADMN CC(C)N(CC1CC1)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000538746936 938700222 /nfs/dbraw/zinc/70/02/22/938700222.db2.gz OXEDGYARHZQORS-UHFFFAOYSA-N 0 1 422.934 4.107 20 0 HIADMN COc1ccccc1COC1CCN(CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000538786571 938710912 /nfs/dbraw/zinc/71/09/12/938710912.db2.gz AUPVDNXKYJZJDE-UHFFFAOYSA-N 0 1 410.558 4.113 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc(-n2cccn2)ccn1 ZINC000538792093 938713105 /nfs/dbraw/zinc/71/31/05/938713105.db2.gz DCNRILUGSWLJJN-UHFFFAOYSA-N 0 1 422.317 4.050 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2c(C)nc3ccccc3c2C)N2CCCC2)c1 ZINC000538834670 938722696 /nfs/dbraw/zinc/72/26/96/938722696.db2.gz LIRUXFATBDMYHJ-QHCPKHFHSA-N 0 1 403.526 4.427 20 0 HIADMN O=C(Cc1ccc(OCCOc2ccccc2)cc1)Nc1ccccc1-c1nnc[nH]1 ZINC000538899167 938733261 /nfs/dbraw/zinc/73/32/61/938733261.db2.gz WIQKCGXJJGQZEI-UHFFFAOYSA-N 0 1 414.465 4.111 20 0 HIADMN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000538899745 938733579 /nfs/dbraw/zinc/73/35/79/938733579.db2.gz XBCYHDWTSOHDGO-UHFFFAOYSA-N 0 1 409.453 4.156 20 0 HIADMN CCOC(=O)c1oc2ccccc2c1CN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000538901372 938733788 /nfs/dbraw/zinc/73/37/88/938733788.db2.gz KWGKXRIDRCSXHI-HXUWFJFHSA-N 0 1 424.541 4.224 20 0 HIADMN CCc1nc2ccccc2n1C1CCN(CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000538960396 938750928 /nfs/dbraw/zinc/75/09/28/938750928.db2.gz YEBZCVRFACWONN-JOCHJYFZSA-N 0 1 416.569 4.429 20 0 HIADMN Cn1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 ZINC000538960945 938751635 /nfs/dbraw/zinc/75/16/35/938751635.db2.gz OXGSJKHIKOXUKA-UHFFFAOYSA-N 0 1 408.933 4.135 20 0 HIADMN CCc1nc2ccccc2n1C1CCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000538974048 938755841 /nfs/dbraw/zinc/75/58/41/938755841.db2.gz IQJUJJJSDPIBOD-UHFFFAOYSA-N 0 1 416.529 4.330 20 0 HIADMN COc1cc2c(cc1CNC(=O)Nc1ccc3nc(C(F)F)[nH]c3c1)O[C@@H](C)C2 ZINC000538982277 938758770 /nfs/dbraw/zinc/75/87/70/938758770.db2.gz HXXUCQLNARQQJJ-JTQLQIEISA-N 0 1 402.401 4.154 20 0 HIADMN C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)C1 ZINC000538982710 938758963 /nfs/dbraw/zinc/75/89/63/938758963.db2.gz UPVZIPYSWWWIAO-ZDUSSCGKSA-N 0 1 419.476 4.003 20 0 HIADMN Cc1nn(C)cc1[C@H](C)NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539008846 938767471 /nfs/dbraw/zinc/76/74/71/938767471.db2.gz AVTNPNQIPNPVNK-QMMMGPOBSA-N 0 1 416.354 4.142 20 0 HIADMN O=C(NCC1(O)CCCCCC1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539016241 938769618 /nfs/dbraw/zinc/76/96/18/938769618.db2.gz RFUGRSCHYFTAQZ-UHFFFAOYSA-N 0 1 420.382 4.424 20 0 HIADMN COc1ccc(CN(C(=O)c2ccc3[nH]nnc3c2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000539017166 938769943 /nfs/dbraw/zinc/76/99/43/938769943.db2.gz ADWAZOHPTMGWES-QRWLVFNGSA-N 0 1 408.502 4.196 20 0 HIADMN CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000563504305 945207936 /nfs/dbraw/zinc/20/79/36/945207936.db2.gz AJRUQQKWTNKGLT-CQSZACIVSA-N 0 1 403.504 4.003 20 0 HIADMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(Br)c(F)c1 ZINC000539041158 938778102 /nfs/dbraw/zinc/77/81/02/938778102.db2.gz SWPZVNBTUDAYJX-ZFWWWQNUSA-N 0 1 414.340 4.491 20 0 HIADMN CCc1nc2c(s1)[C@H](N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1)CCC2 ZINC000539045476 938781006 /nfs/dbraw/zinc/78/10/06/938781006.db2.gz AGVLTJPNMMMCGV-QWFCFKBJSA-N 0 1 405.995 4.398 20 0 HIADMN COCCCOc1cccc(CN[C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000539049109 938782359 /nfs/dbraw/zinc/78/23/59/938782359.db2.gz KHHFNOODVZVFEZ-MRXNPFEDSA-N 0 1 400.910 4.187 20 0 HIADMN C[C@@H](NCc1cccc(COCC(F)(F)F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000539052885 938784546 /nfs/dbraw/zinc/78/45/46/938784546.db2.gz AEWMPBKGCIHQGI-CQSZACIVSA-N 0 1 401.450 4.020 20 0 HIADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2ccc(OCC(F)(F)F)cc2)C1=O ZINC000539059265 938787078 /nfs/dbraw/zinc/78/70/78/938787078.db2.gz AFFMZPBUQBMPMI-PBHICJAKSA-N 0 1 408.420 4.092 20 0 HIADMN C[C@@H](NCc1cccc2c1OCCCO2)c1ccc(I)cc1 ZINC000539062433 938788705 /nfs/dbraw/zinc/78/87/05/938788705.db2.gz YNDHQJAWHVYEEF-CYBMUJFWSA-N 0 1 409.267 4.303 20 0 HIADMN C[C@@H](N[C@@H]1CC(C)(C)Oc2cc(F)ccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000539063821 938788956 /nfs/dbraw/zinc/78/89/56/938788956.db2.gz WDJKKXPVNJAPLD-FOIQADDNSA-N 0 1 418.534 4.319 20 0 HIADMN C[C@H](NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cc2c(s1)CCC2 ZINC000539067809 938791556 /nfs/dbraw/zinc/79/15/56/938791556.db2.gz LNLBGXXYNAMTFT-INIZCTEOSA-N 0 1 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CC[C@H](N[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1OC(F)F ZINC000539251128 938826192 /nfs/dbraw/zinc/82/61/92/938826192.db2.gz KPWMFYZUNGOIQX-FHLIZLRMSA-N 0 1 404.457 4.357 20 0 HIADMN CCOc1ccccc1NC(=O)CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000539254167 938827140 /nfs/dbraw/zinc/82/71/40/938827140.db2.gz RJOTVMKGUAUIMF-GOSISDBHSA-N 0 1 405.498 4.349 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)NC(=O)Nc2ccc(C)cc2C)ccc1OC(C)C ZINC000539254829 938827361 /nfs/dbraw/zinc/82/73/61/938827361.db2.gz YIKHLFXELXIJBW-QGZVFWFLSA-N 0 1 413.518 4.098 20 0 HIADMN COc1cc([C@H](C)NCc2cc(=O)n3ccccc3n2)ccc1OCc1ccccc1 ZINC000539257427 938828247 /nfs/dbraw/zinc/82/82/47/938828247.db2.gz UHWQTMNJMSIJHW-SFHVURJKSA-N 0 1 415.493 4.133 20 0 HIADMN Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@@H](C)c2ccc(OC(C)C)cc2)n[nH]1 ZINC000539262198 938829127 /nfs/dbraw/zinc/82/91/27/938829127.db2.gz CKVAZYDYQGEDHD-INIZCTEOSA-N 0 1 407.518 4.165 20 0 HIADMN COc1ccc2c(c1)CCCN2C(=O)CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000539263650 938829586 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HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1nccs1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277712 938832242 /nfs/dbraw/zinc/83/22/42/938832242.db2.gz VKUFNZIJSOVZFR-KGLIPLIRSA-N 0 1 412.490 4.212 20 0 HIADMN CCOc1cccc([C@H](C)NCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000539279011 938832547 /nfs/dbraw/zinc/83/25/47/938832547.db2.gz ZRPZFWKGAQCKQG-UWJYYQICSA-N 0 1 412.530 4.117 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cnn(C)c1-c1ccccc1 ZINC000539294554 938835322 /nfs/dbraw/zinc/83/53/22/938835322.db2.gz SOWRNBQCUTZHMA-UHFFFAOYSA-N 0 1 406.555 4.197 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539299566 938836446 /nfs/dbraw/zinc/83/64/46/938836446.db2.gz JWFICNFWPMWQDG-HNNXBMFYSA-N 0 1 408.889 4.277 20 0 HIADMN COCCSc1ccc([C@@H](C)NCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000539303933 938837408 /nfs/dbraw/zinc/83/74/08/938837408.db2.gz KEWBDXIVVGRBQT-QGZVFWFLSA-N 0 1 423.582 4.142 20 0 HIADMN C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000539310075 938838764 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4.265 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccc(Br)cn1)c1ccc(-c2ccncc2)cc1 ZINC000539343223 938845374 /nfs/dbraw/zinc/84/53/74/938845374.db2.gz USSCJESLWWBCIW-CQSZACIVSA-N 0 1 411.303 4.195 20 0 HIADMN CCN(CC)[C@@H](C(=O)NCCCc1c(C)nn(C)c1C)c1cccc(C(F)(F)F)c1 ZINC000539349311 938846444 /nfs/dbraw/zinc/84/64/44/938846444.db2.gz PLBCEETUCQVJBL-HXUWFJFHSA-N 0 1 424.511 4.188 20 0 HIADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)cc1 ZINC000539361019 938848395 /nfs/dbraw/zinc/84/83/95/938848395.db2.gz ZXVSZEWUOFWKSJ-GEYWLOKFSA-N 0 1 423.557 4.275 20 0 HIADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000539361361 938848460 /nfs/dbraw/zinc/84/84/60/938848460.db2.gz SKHFTWDFQWGMEA-HNNXBMFYSA-N 0 1 424.463 4.422 20 0 HIADMN CN(C)C(=O)c1cccc(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000539360857 938848538 /nfs/dbraw/zinc/84/85/38/938848538.db2.gz VXZIPWXZILADJP-QHCPKHFHSA-N 0 1 419.500 4.040 20 0 HIADMN C[S@@](=O)C[C@@H](NCc1cc(Br)cc2cccnc21)c1ccccc1 ZINC000539369008 938849793 /nfs/dbraw/zinc/84/97/93/938849793.db2.gz XXYUVYTXZJLWEV-HOYKHHGWSA-N 0 1 403.345 4.207 20 0 HIADMN C[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(COCc2ccccc2)cc1 ZINC000539377256 938851222 /nfs/dbraw/zinc/85/12/22/938851222.db2.gz OXLGKXZRWSMBJX-HXUWFJFHSA-N 0 1 409.551 4.355 20 0 HIADMN Cn1cc([C@H](NCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C(C)(C)C)cn1 ZINC000539381277 938852035 /nfs/dbraw/zinc/85/20/35/938852035.db2.gz QDKPAHILBJDILE-DEOSSOPVSA-N 0 1 417.557 4.430 20 0 HIADMN CCN(CC)[C@@H](C(=O)N1CCc2c(ncn2CCc2ccccc2)C1)c1ccccc1 ZINC000539418771 938857646 /nfs/dbraw/zinc/85/76/46/938857646.db2.gz LPOXPCCMHKNMKM-RUZDIDTESA-N 0 1 416.569 4.094 20 0 HIADMN CCCOc1ccc(Oc2ncccc2CNCc2ccc3c(c2)nnn3C)cc1 ZINC000539426545 938858855 /nfs/dbraw/zinc/85/88/55/938858855.db2.gz HDNJIHPZLJUNOT-UHFFFAOYSA-N 0 1 403.486 4.234 20 0 HIADMN CCCCCC(=O)NC1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000539455995 938863325 /nfs/dbraw/zinc/86/33/25/938863325.db2.gz KUPKWONTBGZZFX-UHFFFAOYSA-N 0 1 408.970 4.205 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CC[C@@H](C)NC(=O)CN[C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000541644004 939584704 /nfs/dbraw/zinc/58/47/04/939584704.db2.gz CHXRCVFGKUYJIP-VXGBXAGGSA-N 0 1 410.381 4.446 20 0 HIADMN COc1ccc2oc([C@H](C)NCC(=O)N(C)Cc3ccc(OC)c(F)c3)c(C)c2c1 ZINC000541652104 939588072 /nfs/dbraw/zinc/58/80/72/939588072.db2.gz NEFNEXAQKDIDRF-HNNXBMFYSA-N 0 1 414.477 4.207 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H](C)c2ncc(C)s2)CC1 ZINC000541678293 939598102 /nfs/dbraw/zinc/59/81/02/939598102.db2.gz NPZRJPPSMDZPNB-CQSZACIVSA-N 0 1 421.998 4.172 20 0 HIADMN C[C@H]1[N@@H+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CCC12CCOCC2 ZINC000541718492 939613953 /nfs/dbraw/zinc/61/39/53/939613953.db2.gz PCKOWWVPUMYSCW-CQSZACIVSA-N 0 1 413.518 4.182 20 0 HIADMN FC(F)(F)c1cnc(NCCN[C@H](c2ccccc2)c2cncnc2)c(Cl)c1 ZINC000541734021 939616538 /nfs/dbraw/zinc/61/65/38/939616538.db2.gz LGQQNPVRLIPPPP-QGZVFWFLSA-N 0 1 407.827 4.335 20 0 HIADMN FC(F)(F)c1cnc(OCCN[C@@H](c2ccccc2)c2cncnc2)c(Cl)c1 ZINC000541743077 939618884 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CCOc1ccc2nc(S[C@@H](Cc3ccc(C(F)(F)F)cc3)C(N)=O)[nH]c2c1 ZINC000542215782 939761138 /nfs/dbraw/zinc/76/11/38/939761138.db2.gz GDWUXFJNJCHSFX-INIZCTEOSA-N 0 1 409.433 4.169 20 0 HIADMN C[C@H](CN(C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1nccs1 ZINC000542269722 939778879 /nfs/dbraw/zinc/77/88/79/939778879.db2.gz OCJYFJVBRAQEGS-MRXNPFEDSA-N 0 1 421.010 4.454 20 0 HIADMN CC[C@@H]1CN(CCCc2ccc(Br)cc2OC)CCN1CC(F)F ZINC000542270040 939779243 /nfs/dbraw/zinc/77/92/43/939779243.db2.gz TXYPHZSRTLDQOF-MRXNPFEDSA-N 0 1 405.327 4.052 20 0 HIADMN C[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC000563734929 945272188 /nfs/dbraw/zinc/27/21/88/945272188.db2.gz SHDJFGUWKBTSIW-SHBJFUFKSA-N 0 1 407.558 4.069 20 0 HIADMN C[C@@H](CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000542328831 939801270 /nfs/dbraw/zinc/80/12/70/939801270.db2.gz MOIAOJZNFFCTEB-SIKLNZKXSA-N 0 1 420.601 4.056 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)N2CCCC2)o1 ZINC000542353793 939806172 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CCN(CC)C(=O)CCC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000436748565 861929885 /nfs/dbraw/zinc/92/98/85/861929885.db2.gz PLPNOHXYOYWEDB-UHFFFAOYSA-N 0 1 401.334 4.200 20 0 HIADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436749196 861931597 /nfs/dbraw/zinc/93/15/97/861931597.db2.gz XWUMZDVNKZCZJT-XJKSGUPXSA-N 0 1 422.934 4.250 20 0 HIADMN C[C@@H](CCc1ccc(O)cc1)NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045606614 848699730 /nfs/dbraw/zinc/69/97/30/848699730.db2.gz BCBRFAQXRDDWJK-KRWDZBQOSA-N 0 1 415.965 4.331 20 0 HIADMN Cc1c([C@H](C)NC(=O)NC[C@@H](c2cccs2)N(C)C)cnn1-c1ccc(F)cc1 ZINC000045684421 848712511 /nfs/dbraw/zinc/71/25/11/848712511.db2.gz WRVDKTMABUFQFB-LIRRHRJNSA-N 0 1 415.538 4.044 20 0 HIADMN CCc1ccc2nc(NC(=O)c3cn[nH]c3-c3ccc4c(c3)OCCO4)sc2c1 ZINC000045728355 848718817 /nfs/dbraw/zinc/71/88/17/848718817.db2.gz FPHXYYUDLJEAKR-UHFFFAOYSA-N 0 1 406.467 4.272 20 0 HIADMN Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000045774172 848725346 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/nfs/dbraw/zinc/71/48/13/852714813.db2.gz IJXYAKKMOMOTEQ-UHFFFAOYSA-N 0 1 418.537 4.207 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)COc3cc(C)ccc3C(C)C)CC2)cc1 ZINC000105578403 852714875 /nfs/dbraw/zinc/71/48/75/852714875.db2.gz JLLMELSBDMVSIV-UHFFFAOYSA-N 0 1 410.558 4.240 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccccc2NC(=O)c2ccsc2)N(C)C)c1 ZINC000105598029 852715903 /nfs/dbraw/zinc/71/59/03/852715903.db2.gz TXYUAHOEPPMPGI-OAQYLSRUSA-N 0 1 423.538 4.042 20 0 HIADMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000105643780 852719130 /nfs/dbraw/zinc/71/91/30/852719130.db2.gz XVWZICBRSKQWOE-JOCHJYFZSA-N 0 1 421.368 4.397 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000105846472 852733476 /nfs/dbraw/zinc/73/34/76/852733476.db2.gz NUMVIBUYBKFPMN-KRWDZBQOSA-N 0 1 424.522 4.295 20 0 HIADMN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCN(C2CCCC2)CC1 ZINC000105878192 852735571 /nfs/dbraw/zinc/73/55/71/852735571.db2.gz IGYZDCNTPRMRIA-UHFFFAOYSA-N 0 1 417.557 4.380 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2ccc(OCC(F)(F)F)cc2)N2CCCC2)cc1 ZINC000105971294 852742346 /nfs/dbraw/zinc/74/23/46/852742346.db2.gz JSUDDEQFEBWUJY-HXUWFJFHSA-N 0 1 422.447 4.203 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3ccc(OC(F)(F)F)cc3)cc2)C[C@H](C)O1 ZINC000106082525 852752182 /nfs/dbraw/zinc/75/21/82/852752182.db2.gz HLFYIQAYTOFNNG-HOTGVXAUSA-N 0 1 422.447 4.124 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)cc2)C[C@@H](C)O1 ZINC000106083756 852752197 /nfs/dbraw/zinc/75/21/97/852752197.db2.gz BTUXESPTTRGQDI-XWOARTFESA-N 0 1 412.961 4.369 20 0 HIADMN Cc1ccc2nc(C)c(C(=O)NCc3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)cc2c1 ZINC000106083990 852753174 /nfs/dbraw/zinc/75/31/74/852753174.db2.gz IYHSXXQNZDFVQM-RTBURBONSA-N 0 1 417.553 4.391 20 0 HIADMN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)NC1CCCCC1 ZINC000107483001 852771954 /nfs/dbraw/zinc/77/19/54/852771954.db2.gz YQLAQBOIOTXDRT-UHFFFAOYSA-N 0 1 411.289 4.234 20 0 HIADMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000107706368 852788253 /nfs/dbraw/zinc/78/82/53/852788253.db2.gz CFSMZRKPFVOSAN-UHFFFAOYSA-N 0 1 420.460 4.115 20 0 HIADMN Cc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1-c1ccccc1 ZINC000107931120 852809748 /nfs/dbraw/zinc/80/97/48/852809748.db2.gz PGHBWMUKSARCID-UHFFFAOYSA-N 0 1 408.933 4.229 20 0 HIADMN O=C(CCc1ncc(-c2ccccc2Cl)o1)NC1CCN(Cc2ccccn2)CC1 ZINC000108210877 852828813 /nfs/dbraw/zinc/82/88/13/852828813.db2.gz BCDHPUPXBYRVOM-UHFFFAOYSA-N 0 1 424.932 4.103 20 0 HIADMN CCOC(=O)c1oc2ccccc2c1CN1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000108446041 852851303 /nfs/dbraw/zinc/85/13/03/852851303.db2.gz NTMFUTMUCHUBFQ-UHFFFAOYSA-N 0 1 421.497 4.164 20 0 HIADMN CCc1c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cnn1-c1cccc(Cl)c1 ZINC000108550778 852858812 /nfs/dbraw/zinc/85/88/12/852858812.db2.gz ONQGUDXMSJVICM-OAQYLSRUSA-N 0 1 414.912 4.260 20 0 HIADMN O=C(Nc1cccnc1N1CCCC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000108605694 852864502 /nfs/dbraw/zinc/86/45/02/852864502.db2.gz DRBSERACUGLFDI-UHFFFAOYSA-N 0 1 412.291 4.087 20 0 HIADMN C[S@@](=O)c1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000108728944 852875267 /nfs/dbraw/zinc/87/52/67/852875267.db2.gz VPIKGUZHJSQHFR-LJAQVGFWSA-N 0 1 402.479 4.128 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc(F)c1 ZINC000108923760 852893635 /nfs/dbraw/zinc/89/36/35/852893635.db2.gz LEFDGEUTDKZPTD-GOSISDBHSA-N 0 1 420.410 4.063 20 0 HIADMN COc1ccc2[nH]cc(C3CCN(CC(=O)NCCCc4ccccc4)CC3)c2c1 ZINC000108972166 852901736 /nfs/dbraw/zinc/90/17/36/852901736.db2.gz INCVZZMFDWIPJI-UHFFFAOYSA-N 0 1 405.542 4.105 20 0 HIADMN CCN(Cc1ccccc1)C(=O)CN1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000108971297 852901812 /nfs/dbraw/zinc/90/18/12/852901812.db2.gz BCASLZRFGQWPPJ-UHFFFAOYSA-N 0 1 405.542 4.405 20 0 HIADMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(OC(F)F)cc3)n2)c(OC)c1 ZINC000109194528 852934400 /nfs/dbraw/zinc/93/44/00/852934400.db2.gz PVIRWSKASCALKI-UHFFFAOYSA-N 0 1 421.425 4.065 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccco1 ZINC000109301255 852949370 /nfs/dbraw/zinc/94/93/70/852949370.db2.gz DRRBMECDSRYBJB-PBHICJAKSA-N 0 1 409.324 4.009 20 0 HIADMN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000109485572 852975982 /nfs/dbraw/zinc/97/59/82/852975982.db2.gz YRVZFNDIIVIUPF-KKSFZXQISA-N 0 1 409.555 4.082 20 0 HIADMN O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000109577249 852988392 /nfs/dbraw/zinc/98/83/92/852988392.db2.gz SYYBCINEUXTGGT-LJQANCHMSA-N 0 1 400.526 4.212 20 0 HIADMN O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N1CCCN(Cc2ccccc2)CC1 ZINC000109760109 853010271 /nfs/dbraw/zinc/01/02/71/853010271.db2.gz RAFDHMSELXZCNC-NHCUHLMSSA-N 0 1 413.359 4.287 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000109853826 853023619 /nfs/dbraw/zinc/02/36/19/853023619.db2.gz JHZAFRKPHKUXPB-UHFFFAOYSA-N 0 1 410.583 4.231 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CCCc1nc(C(C)(C)C)no1 ZINC000109852147 853024145 /nfs/dbraw/zinc/02/41/45/853024145.db2.gz ZDFHKACRTMTTST-UHFFFAOYSA-N 0 1 416.591 4.186 20 0 HIADMN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)CC2=O)cc1 ZINC000109889437 853029806 /nfs/dbraw/zinc/02/98/06/853029806.db2.gz INCQLAXPXIIHNI-SFHVURJKSA-N 0 1 402.498 4.126 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CSc1nc2ccccc2o1 ZINC000109894056 853030479 /nfs/dbraw/zinc/03/04/79/853030479.db2.gz VFHNEHAJJFCDFD-UHFFFAOYSA-N 0 1 413.568 4.416 20 0 HIADMN O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110003358 853044448 /nfs/dbraw/zinc/04/44/48/853044448.db2.gz UKLNNHAYFUNFPU-RXVVDRJESA-N 0 1 420.488 4.075 20 0 HIADMN Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000110006307 853045578 /nfs/dbraw/zinc/04/55/78/853045578.db2.gz ZTHYKURVTCHUEK-AEFFLSMTSA-N 0 1 408.477 4.391 20 0 HIADMN Cc1cc(Sc2ncccn2)ccc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000110080242 853058084 /nfs/dbraw/zinc/05/80/84/853058084.db2.gz FMDABMBYIMANHO-SFHVURJKSA-N 0 1 413.572 4.422 20 0 HIADMN CCc1ccc(C(=O)CCC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000110201354 853073179 /nfs/dbraw/zinc/07/31/79/853073179.db2.gz SKZSDEXUGLMFOS-UHFFFAOYSA-N 0 1 406.570 4.379 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(F)cc2C)CC1 ZINC000110271727 853082586 /nfs/dbraw/zinc/08/25/86/853082586.db2.gz BLSTXPUPTZNUQK-MRXNPFEDSA-N 0 1 402.489 4.298 20 0 HIADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)(C)CC)ccc2OC)cc1 ZINC000110406829 853096228 /nfs/dbraw/zinc/09/62/28/853096228.db2.gz SUVOXXGTKDSVRV-UHFFFAOYSA-N 0 1 420.531 4.269 20 0 HIADMN Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000110474966 853105883 /nfs/dbraw/zinc/10/58/83/853105883.db2.gz CTGVVBSGHCWVAD-PXNSSMCTSA-N 0 1 422.504 4.068 20 0 HIADMN Cc1c(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)oc2c1c(C)ccc2C ZINC000110599192 853124943 /nfs/dbraw/zinc/12/49/43/853124943.db2.gz QUVDBOLEECNSNO-NRFANRHFSA-N 0 1 405.542 4.077 20 0 HIADMN Cc1c2cc(F)ccc2sc1C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000110598668 853125256 /nfs/dbraw/zinc/12/52/56/853125256.db2.gz VVMUTNLFALDEDC-HXUWFJFHSA-N 0 1 411.546 4.067 20 0 HIADMN CCCCN(CC)c1ccc(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000110601298 853126421 /nfs/dbraw/zinc/12/64/21/853126421.db2.gz SLOBAPJUCKDJMM-RUZDIDTESA-N 0 1 422.617 4.032 20 0 HIADMN CN1CCN(C[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc2)CC1 ZINC000110707758 853141412 /nfs/dbraw/zinc/14/14/12/853141412.db2.gz AXZUFEYDKUCCSW-OAQYLSRUSA-N 0 1 423.944 4.319 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2ccc3[nH]c(C(F)F)nc3c2)N2CCCC2)cc1 ZINC000110746679 853148069 /nfs/dbraw/zinc/14/80/69/853148069.db2.gz GIUOZKCFSYNZRO-LJQANCHMSA-N 0 1 414.456 4.076 20 0 HIADMN CCN(C)[C@H](C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1ccccc1 ZINC000110746259 853148159 /nfs/dbraw/zinc/14/81/59/853148159.db2.gz ZFAIKDYHCHEZKW-QHCPKHFHSA-N 0 1 419.500 4.387 20 0 HIADMN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1cccs1)N1CCCC1 ZINC000110850347 853156368 /nfs/dbraw/zinc/15/63/68/853156368.db2.gz KSMWHTQDMGKPHA-MRXNPFEDSA-N 0 1 418.506 4.023 20 0 HIADMN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)CCN3CCCC3)cc12 ZINC000110916951 853168430 /nfs/dbraw/zinc/16/84/30/853168430.db2.gz SERPKIBPIQMWLU-UHFFFAOYSA-N 0 1 416.978 4.276 20 0 HIADMN CCOc1ccc2nc(SCC(=O)N[C@@H](c3nccs3)c3ccccc3)[nH]c2c1 ZINC000110998647 853184173 /nfs/dbraw/zinc/18/41/73/853184173.db2.gz YDLJZOUSKOWMKX-LJQANCHMSA-N 0 1 424.551 4.416 20 0 HIADMN CCN(CC)[C@H](C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 ZINC000111036756 853191101 /nfs/dbraw/zinc/19/11/01/853191101.db2.gz DWXZYIPUVBQAHV-VXKWHMMOSA-N 0 1 424.545 4.009 20 0 HIADMN CCN(CC)[C@@H](C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 ZINC000111036763 853191135 /nfs/dbraw/zinc/19/11/35/853191135.db2.gz DWXZYIPUVBQAHV-FGZHOGPDSA-N 0 1 424.545 4.009 20 0 HIADMN CCN(CC)[C@H](C(=O)NCc1cccc(NC(=O)N2CCCC2)c1)c1ccccc1 ZINC000111043158 853192534 /nfs/dbraw/zinc/19/25/34/853192534.db2.gz XDDJGEQMCSTCCN-QFIPXVFZSA-N 0 1 408.546 4.014 20 0 HIADMN COc1ccc(NC(=O)c2nnc(CN[C@@H]3CCCC[C@@H]3C(C)(C)C)s2)cc1 ZINC000111056816 853194859 /nfs/dbraw/zinc/19/48/59/853194859.db2.gz PEFWNJLIXNMHSZ-DLBZAZTESA-N 0 1 402.564 4.494 20 0 HIADMN C[C@@H](CN1CCOCC1)N(Cc1ccc(Br)s1)Cc1ccccc1 ZINC000111174187 853216268 /nfs/dbraw/zinc/21/62/68/853216268.db2.gz RKNPSFRUJZUYCZ-INIZCTEOSA-N 0 1 409.393 4.234 20 0 HIADMN CCN(CC)[C@@H](C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1)c1ccccc1 ZINC000111207332 853222168 /nfs/dbraw/zinc/22/21/68/853222168.db2.gz RVHXEDISKAVRDX-HSZRJFAPSA-N 0 1 416.525 4.033 20 0 HIADMN CSc1ccccc1NC(=O)[C@@H](C)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000115515499 853252525 /nfs/dbraw/zinc/25/25/25/853252525.db2.gz SUUDZIKGEDHVPY-QGZVFWFLSA-N 0 1 401.551 4.083 20 0 HIADMN CSc1ccccc1NC(=O)[C@H](C)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000115515495 853252922 /nfs/dbraw/zinc/25/29/22/853252922.db2.gz SUUDZIKGEDHVPY-KRWDZBQOSA-N 0 1 401.551 4.083 20 0 HIADMN Cc1ccc(C)c(C(=O)CCC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000116073336 853281227 /nfs/dbraw/zinc/28/12/27/853281227.db2.gz GIFLPNGEMOZWHL-UHFFFAOYSA-N 0 1 402.485 4.135 20 0 HIADMN Cc1ccc2c(CN3CCCC[C@H]3[C@@H](C)NC(=O)OC(C)(C)C)cc(=O)oc2c1 ZINC000116498783 853309306 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Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)[nH]n1 ZINC000433241090 859585638 /nfs/dbraw/zinc/58/56/38/859585638.db2.gz AWKWEAYSANUCEN-UHFFFAOYSA-N 0 1 411.469 4.018 20 0 HIADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c1 ZINC000433266127 859602274 /nfs/dbraw/zinc/60/22/74/859602274.db2.gz RABNFNNIPPXUKP-UHFFFAOYSA-N 0 1 424.258 4.468 20 0 HIADMN CC(C)c1nnc(-c2ccccc2NC(=O)Cc2cncn2Cc2ccccc2)[nH]1 ZINC000433305737 859629355 /nfs/dbraw/zinc/62/93/55/859629355.db2.gz PZAPWTIKVHVKJS-UHFFFAOYSA-N 0 1 400.486 4.021 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CC3(CCC3)C[C@H]2C)CC1 ZINC000433323602 859640541 /nfs/dbraw/zinc/64/05/41/859640541.db2.gz XJOJHEAVGFWSQL-QZTJIDSGSA-N 0 1 402.558 4.003 20 0 HIADMN CN(C)[C@@H](CC(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1)c1ccccc1 ZINC000433339519 859653590 /nfs/dbraw/zinc/65/35/90/859653590.db2.gz AIDXIGPMBQEIEA-FQEVSTJZSA-N 0 1 402.560 4.031 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2c3c(ccc2Cl)OCC3)CC1 ZINC000433518481 859749862 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20 0 HIADMN COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)n[nH]2)cc1OC ZINC000434228699 860213226 /nfs/dbraw/zinc/21/32/26/860213226.db2.gz QPQLIVBFSAHGOO-UHFFFAOYSA-N 0 1 419.403 4.385 20 0 HIADMN COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)n[nH]2)cc1OC ZINC000434233116 860217648 /nfs/dbraw/zinc/21/76/48/860217648.db2.gz CCLULWILSMLNBO-LBPRGKRZSA-N 0 1 401.413 4.205 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCSC[C@@H]3c3ccccc3)n[nH]2)cc1OC ZINC000434260395 860237406 /nfs/dbraw/zinc/23/74/06/860237406.db2.gz POKZAVXESNHHGX-LJQANCHMSA-N 0 1 409.511 4.024 20 0 HIADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000467717292 881515842 /nfs/dbraw/zinc/51/58/42/881515842.db2.gz ANMAPZYLOBBOGE-SUMWQHHRSA-N 0 1 417.962 4.175 20 0 HIADMN COc1ccc(C(=O)CCC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1F ZINC000434349622 860305642 /nfs/dbraw/zinc/30/56/42/860305642.db2.gz IQDRENKMOONSPX-AOMKIAJQSA-N 0 1 418.534 4.058 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cccc(CC(F)(F)F)c3)[nH]n2)cc1OC ZINC000434351788 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4.082 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)CN(Cc3cccnc3)c3ccccc3)c2C)o1 ZINC000434500000 860374235 /nfs/dbraw/zinc/37/42/35/860374235.db2.gz PFRLZXMMHVISML-UHFFFAOYSA-N 0 1 401.470 4.327 20 0 HIADMN Cc1ccn(C2CC[NH+](Cc3nc(=O)c4sc(-c5ccc(F)cc5)cc4[n-]3)CC2)n1 ZINC000434499775 860374393 /nfs/dbraw/zinc/37/43/93/860374393.db2.gz NLKZACATOPBEMM-UHFFFAOYSA-N 0 1 423.517 4.133 20 0 HIADMN Cc1nc2c(n1[C@@H]1CCN([C@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501921 860376683 /nfs/dbraw/zinc/37/66/83/860376683.db2.gz IFTRSKJTGMAVTH-DNVCBOLYSA-N 0 1 409.509 4.191 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC4(CCC4)c4ccccc43)c2C1 ZINC000434616357 860431616 /nfs/dbraw/zinc/43/16/16/860431616.db2.gz HRWXUBKTCNZDLF-GOSISDBHSA-N 0 1 417.553 4.454 20 0 HIADMN CCOC(=O)CC1(NCc2csc(-c3ccc(OC)c(OC)c3)n2)CCCC1 ZINC000434626508 860438324 /nfs/dbraw/zinc/43/83/24/860438324.db2.gz YXYFWMSSZBNEQU-UHFFFAOYSA-N 0 1 404.532 4.183 20 0 HIADMN COc1cccc(CN(C)C(=O)CN(C)[C@@H](c2ccc(F)cc2)C(C)C)c1OC ZINC000434626434 860438389 /nfs/dbraw/zinc/43/83/89/860438389.db2.gz YNLFPKGWGCRJOF-JOCHJYFZSA-N 0 1 402.510 4.130 20 0 HIADMN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2OC)cc1Cl ZINC000434628513 860439236 /nfs/dbraw/zinc/43/92/36/860439236.db2.gz RZOFDKMFIGEBJG-UHFFFAOYSA-N 0 1 424.950 4.248 20 0 HIADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000434634653 860441518 /nfs/dbraw/zinc/44/15/18/860441518.db2.gz SRBGSNXCGXEBHK-UHFFFAOYSA-N 0 1 424.950 4.152 20 0 HIADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000434635984 860441635 /nfs/dbraw/zinc/44/16/35/860441635.db2.gz YDZPJKIXUHCARA-UHFFFAOYSA-N 0 1 404.532 4.406 20 0 HIADMN C[C@@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)N(C)CCCCCO ZINC000434678770 860455610 /nfs/dbraw/zinc/45/56/10/860455610.db2.gz KKZFHIIFKHUPFP-JXFKEZNVSA-N 0 1 417.937 4.094 20 0 HIADMN CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)C1CCN(c2cnccn2)CC1 ZINC000434740660 860477829 /nfs/dbraw/zinc/47/78/29/860477829.db2.gz XJNCVSAUYLHIGY-UHFFFAOYSA-N 0 1 409.578 4.263 20 0 HIADMN CCC(CC)[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)c1ccccc1 ZINC000434774569 860490851 /nfs/dbraw/zinc/49/08/51/860490851.db2.gz HROXJQZUHLEOFV-VXKWHMMOSA-N 0 1 423.557 4.304 20 0 HIADMN COC[C@H](NCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000434790139 860494701 /nfs/dbraw/zinc/49/47/01/860494701.db2.gz QZOWFZKQUAXRDU-RBUKOAKNSA-N 0 1 420.962 4.213 20 0 HIADMN Cc1ccccc1[C@@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)C(C)(C)C ZINC000434808125 860502992 /nfs/dbraw/zinc/50/29/92/860502992.db2.gz ITAYDDFTBAHDLI-RBBKRZOGSA-N 0 1 423.557 4.222 20 0 HIADMN COc1ccc(-c2n[nH]c(SCc3noc(Cc4ccccc4C)n3)n2)c(OC)c1 ZINC000434808888 860503085 /nfs/dbraw/zinc/50/30/85/860503085.db2.gz LUPXGMLRIJSEPP-UHFFFAOYSA-N 0 1 423.498 4.063 20 0 HIADMN Cc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(C)c1 ZINC000434885606 860535583 /nfs/dbraw/zinc/53/55/83/860535583.db2.gz ISMMGNHLBRXEPA-HZPDHXFCSA-N 0 1 414.493 4.398 20 0 HIADMN Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434885920 860535843 /nfs/dbraw/zinc/53/58/43/860535843.db2.gz JZCGTUHZPKFQDE-JKSUJKDBSA-N 0 1 414.493 4.398 20 0 HIADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000434909670 860549880 /nfs/dbraw/zinc/54/98/80/860549880.db2.gz PAXQMENELWOHKW-BVZFJXPGSA-N 0 1 423.557 4.325 20 0 HIADMN CCOc1cc(CN(Cc2ccc(F)cc2)C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000434980732 860584830 /nfs/dbraw/zinc/58/48/30/860584830.db2.gz GXKYGDKVVBASEE-KRWDZBQOSA-N 0 1 414.521 4.245 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)Nc3cccc(-c4cccs4)c3)cccc21 ZINC000434993028 860588843 /nfs/dbraw/zinc/58/88/43/860588843.db2.gz WFXOPHYKWOHQIT-LJQANCHMSA-N 0 1 421.522 4.378 20 0 HIADMN CCCN(C(=O)C(=O)Nc1ccc2cc[nH]c2c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000435008026 860595497 /nfs/dbraw/zinc/59/54/97/860595497.db2.gz KOCPSLABPKMYCW-QFIPXVFZSA-N 0 1 418.541 4.010 20 0 HIADMN CCCCCN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)[C@H](C)CCC ZINC000435018052 860600291 /nfs/dbraw/zinc/60/02/91/860600291.db2.gz BDEMVGRFIZAUEK-YLJYHZDGSA-N 0 1 403.567 4.218 20 0 HIADMN O=C1C[C@@]2(CCN(Cc3c(Cl)cccc3OCc3ccccc3Cl)C2)CN1 ZINC000435048732 860615089 /nfs/dbraw/zinc/61/50/89/860615089.db2.gz BWTVMMBGRPAFJI-NRFANRHFSA-N 0 1 405.325 4.284 20 0 HIADMN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cc(F)ccc3Br)c2)n1 ZINC000435128075 860653776 /nfs/dbraw/zinc/65/37/76/860653776.db2.gz BMKATFGOWDKUIF-UHFFFAOYSA-N 0 1 424.295 4.192 20 0 HIADMN CC(=O)Nc1cc(NS(=O)(=O)c2cc(F)ccc2Br)ccc1Cl ZINC000435136833 860659295 /nfs/dbraw/zinc/65/92/95/860659295.db2.gz HTXNQNROYJSZTA-UHFFFAOYSA-N 0 1 421.675 4.001 20 0 HIADMN Cc1ccnc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3Br)c2)n1 ZINC000435138564 860660141 /nfs/dbraw/zinc/66/01/41/860660141.db2.gz KRDNZGSZTFCPEI-UHFFFAOYSA-N 0 1 422.279 4.154 20 0 HIADMN CCc1cc(C)cc(CC)c1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000435194277 860690162 /nfs/dbraw/zinc/69/01/62/860690162.db2.gz RBJSOKQWFUGMJI-DHIUTWEWSA-N 0 1 409.574 4.124 20 0 HIADMN Cc1ccc(-c2cc(-c3nnc(SCc4nn[nH]n4)o3)c3ccccc3n2)cc1 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CAVORHFWZXLBNA-QGZVFWFLSA-N 0 1 411.015 4.231 20 0 HIADMN CC(C)[C@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1cccnc1 ZINC000435702597 860984846 /nfs/dbraw/zinc/98/48/46/860984846.db2.gz ZVVLDOSBADJENO-QHCPKHFHSA-N 0 1 408.546 4.274 20 0 HIADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)c(OC)cc1C ZINC000435725636 861008909 /nfs/dbraw/zinc/00/89/09/861008909.db2.gz HUWMMFFAGJANNG-AWEZNQCLSA-N 0 1 413.923 4.180 20 0 HIADMN Cc1c(NS(=O)(=O)c2cc(C)c(Br)cc2C)cnn1C1CCCC1 ZINC000435730301 861013318 /nfs/dbraw/zinc/01/33/18/861013318.db2.gz DQBRIPFFHHCIEX-UHFFFAOYSA-N 0 1 412.353 4.487 20 0 HIADMN CN(c1ccccc1)c1ccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)cn1 ZINC000435784891 861057690 /nfs/dbraw/zinc/05/76/90/861057690.db2.gz KCWIWYLJXGUNDI-QHCPKHFHSA-N 0 1 400.526 4.303 20 0 HIADMN O=C(CO[C@H]1CCCc2ccccc21)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000435795021 861065627 /nfs/dbraw/zinc/06/56/27/861065627.db2.gz PGAPBXAEUGZZGR-IRLDBZIGSA-N 0 1 416.525 4.272 20 0 HIADMN O=C(CO[C@@H]1CCCc2ccccc21)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000435795020 861066189 /nfs/dbraw/zinc/06/61/89/861066189.db2.gz PGAPBXAEUGZZGR-IFMALSPDSA-N 0 1 416.525 4.272 20 0 HIADMN O=C(CC1(Cc2nc3ccccc3s2)CCCCC1)NC1(c2nnc[nH]2)CCC1 ZINC000435823815 861089010 /nfs/dbraw/zinc/08/90/10/861089010.db2.gz FHXSNAKGDSUADN-UHFFFAOYSA-N 0 1 409.559 4.493 20 0 HIADMN C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1ccc(Br)s1 ZINC000435877377 861136390 /nfs/dbraw/zinc/13/63/90/861136390.db2.gz QFKPUWIEIKZLDM-SMDDNHRTSA-N 0 1 414.344 4.313 20 0 HIADMN Cc1ccc([C@@H](NCCOc2c(Cl)cccc2Cl)[C@H](C)S(C)(=O)=O)cc1 ZINC000435892851 861149246 /nfs/dbraw/zinc/14/92/46/861149246.db2.gz JCYGEXVCRIOUBE-KSSFIOAISA-N 0 1 416.370 4.445 20 0 HIADMN O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000435903975 861161375 /nfs/dbraw/zinc/16/13/75/861161375.db2.gz XGYOBIINUACUOL-AWEZNQCLSA-N 0 1 415.317 4.306 20 0 HIADMN CC(=O)Nc1ccccc1CC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000435916140 861177024 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ZINC000439135884 864568280 /nfs/dbraw/zinc/56/82/80/864568280.db2.gz PNBPTIVCDJAWPO-INIZCTEOSA-N 0 1 418.353 4.164 20 0 HIADMN C[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)CO1 ZINC000439162594 864594296 /nfs/dbraw/zinc/59/42/96/864594296.db2.gz DVHVVYBNEWJTDF-DGCLKSJQSA-N 0 1 400.276 4.356 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000439191255 864617822 /nfs/dbraw/zinc/61/78/22/864617822.db2.gz MFPYYUJRFXMOPC-SZVBFZGTSA-N 0 1 412.500 4.275 20 0 HIADMN CC[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1cc(F)ccc1F ZINC000439191152 864617850 /nfs/dbraw/zinc/61/78/50/864617850.db2.gz LOLGAZYXXKBGCA-VFNWGFHPSA-N 0 1 402.489 4.336 20 0 HIADMN COCCCCN(Cc1ccccc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439192896 864619407 /nfs/dbraw/zinc/61/94/07/864619407.db2.gz PTOCLSXEKRWCJS-NRFANRHFSA-N 0 1 424.589 4.245 20 0 HIADMN Cc1ccc(C[C@@H]2CCCN2C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000439196198 864623142 /nfs/dbraw/zinc/62/31/42/864623142.db2.gz 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COc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)(C)C(C)C)ccc2OC)cc1 ZINC000439250279 864667646 /nfs/dbraw/zinc/66/76/46/864667646.db2.gz UJNWYUDMFCHEDI-UHFFFAOYSA-N 0 1 420.531 4.125 20 0 HIADMN CC[C@@](C)(O)CN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccccc1 ZINC000439266052 864682169 /nfs/dbraw/zinc/68/21/69/864682169.db2.gz PEMNPELMEYXHNN-ISKFKSNPSA-N 0 1 423.582 4.012 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000439308722 864736745 /nfs/dbraw/zinc/73/67/45/864736745.db2.gz YQILUIRDFFXVLG-HNNXBMFYSA-N 0 1 422.451 4.370 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 ZINC000439310498 864741662 /nfs/dbraw/zinc/74/16/62/864741662.db2.gz SOTKQMJBKCLRTB-CYBMUJFWSA-N 0 1 408.424 4.169 20 0 HIADMN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)n2)cc1 ZINC000439391762 864815984 /nfs/dbraw/zinc/81/59/84/864815984.db2.gz FPVGCVTZWZDFLX-PMACEKPBSA-N 0 1 424.589 4.428 20 0 HIADMN Cc1cnn(-c2ccc(NC(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cc2F)c1 ZINC000439395374 864817482 /nfs/dbraw/zinc/81/74/82/864817482.db2.gz LICKZEHUTOCVNW-KRWDZBQOSA-N 0 1 422.508 4.062 20 0 HIADMN Cc1ncc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c(C2CC2)n1 ZINC000439413910 864823329 /nfs/dbraw/zinc/82/33/29/864823329.db2.gz ZJGQIEBRKOUWON-UHFFFAOYSA-N 0 1 413.953 4.350 20 0 HIADMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CCC[C@@H](O)C1 ZINC000439412360 864823408 /nfs/dbraw/zinc/82/34/08/864823408.db2.gz TXJGOWXZBCDSNK-FRQCXROJSA-N 0 1 417.431 4.338 20 0 HIADMN Cc1cc(Cl)ccc1NC(=O)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439430892 864829309 /nfs/dbraw/zinc/82/93/09/864829309.db2.gz KOHKWIZSABHUBA-QGZVFWFLSA-N 0 1 423.826 4.103 20 0 HIADMN Brc1ccc(-c2nc(CN[C@H](c3nnc[nH]3)c3ccccc3)co2)cc1 ZINC000439444444 864833435 /nfs/dbraw/zinc/83/34/35/864833435.db2.gz VNFGAUJPSJLGSE-KRWDZBQOSA-N 0 1 410.275 4.101 20 0 HIADMN O=C(Nc1ccc(F)cc1)[C@@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000439448015 864835352 /nfs/dbraw/zinc/83/53/52/864835352.db2.gz GSAOXIVSJRRQDU-RTWAWAEBSA-N 0 1 401.445 4.003 20 0 HIADMN CC[C@](C)(NC[C@@H](O)COc1cc(F)cc(Br)c1)c1nc(C)cs1 ZINC000439454294 864837103 /nfs/dbraw/zinc/83/71/03/864837103.db2.gz RESFSAHKUCGBDC-PBHICJAKSA-N 0 1 417.344 4.008 20 0 HIADMN Cc1ccccc1-c1nc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)no1 ZINC000439456110 864838422 /nfs/dbraw/zinc/83/84/22/864838422.db2.gz XMFFWZAYOGFFOF-QGZVFWFLSA-N 0 1 414.391 4.061 20 0 HIADMN Cc1ccc(C)c(NC(=O)[C@H](N[C@@H](c2nnc[nH]2)c2ccccc2)c2ccccc2)c1 ZINC000439455807 864838446 /nfs/dbraw/zinc/83/84/46/864838446.db2.gz VWDVCVNGXPSWML-DHIUTWEWSA-N 0 1 411.509 4.481 20 0 HIADMN O=C(CC1CCCCC1)NCCNCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000439472434 864843766 /nfs/dbraw/zinc/84/37/66/864843766.db2.gz IQPPKTNMRZZWLG-HXUWFJFHSA-N 0 1 408.970 4.074 20 0 HIADMN CSc1ccc([C@@H](C)NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000439483246 864847311 /nfs/dbraw/zinc/84/73/11/864847311.db2.gz HBUYRYFYBQRVAK-UZLBHIALSA-N 0 1 412.555 4.194 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000439488404 864849160 /nfs/dbraw/zinc/84/91/60/864849160.db2.gz XOOVUQNWAOLTFH-HNNXBMFYSA-N 0 1 405.502 4.447 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000439488405 864849567 /nfs/dbraw/zinc/84/95/67/864849567.db2.gz XOOVUQNWAOLTFH-OAHLLOKOSA-N 0 1 405.502 4.447 20 0 HIADMN CCN(Cc1ccccc1Br)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000439548353 864875943 /nfs/dbraw/zinc/87/59/43/864875943.db2.gz KYJGPZKQHLPKIF-UHFFFAOYSA-N 0 1 400.276 4.069 20 0 HIADMN COc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1F ZINC000439552827 864878484 /nfs/dbraw/zinc/87/84/84/864878484.db2.gz SZXGDOJHKNYBAD-ACJLOTCBSA-N 0 1 408.420 4.282 20 0 HIADMN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439559973 864885493 /nfs/dbraw/zinc/88/54/93/864885493.db2.gz BTJJAFQPOXNSFN-UHFFFAOYSA-N 0 1 409.492 4.349 20 0 HIADMN Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439562743 864887827 /nfs/dbraw/zinc/88/78/27/864887827.db2.gz MUEMFHLBQGMGKB-UHFFFAOYSA-N 0 1 415.540 4.078 20 0 HIADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC)c1 ZINC000439565426 864889330 /nfs/dbraw/zinc/88/93/30/864889330.db2.gz ZBUGYSKOUKHOPG-ZIAGYGMSSA-N 0 1 404.532 4.174 20 0 HIADMN CN(Cc1ccco1)Cc1ccccc1CN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000439598203 864920717 /nfs/dbraw/zinc/92/07/17/864920717.db2.gz PJOPCFZGGKNVTJ-XMMPIXPASA-N 0 1 421.516 4.160 20 0 HIADMN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000439618941 864943084 /nfs/dbraw/zinc/94/30/84/864943084.db2.gz ZVGLTRKWTKZDMD-XUZZJYLKSA-N 0 1 413.562 4.098 20 0 HIADMN COc1cccc(O[C@@H](C)CN[C@@H](C(=O)NCc2ccccc2)c2ccccc2)c1 ZINC000439635621 864962632 /nfs/dbraw/zinc/96/26/32/864962632.db2.gz RQPRODVDEDYTQO-YADARESESA-N 0 1 404.510 4.110 20 0 HIADMN COc1cccc(NC(=O)[C@H](NC[C@H](C)Oc2ccccc2OC)c2ccccc2)c1 ZINC000439637135 864965734 /nfs/dbraw/zinc/96/57/34/864965734.db2.gz FMHFHZMSQOPBPD-MHECFPHRSA-N 0 1 420.509 4.441 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cc(F)c(Br)cc2Cl)n[nH]1 ZINC000439652230 864977940 /nfs/dbraw/zinc/97/79/40/864977940.db2.gz VRITXIPDVWRCIG-ZETCQYMHSA-N 0 1 404.671 4.366 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3ccc(F)c(C4CC4)c3)[nH]c2c1 ZINC000439717212 865053948 /nfs/dbraw/zinc/05/39/48/865053948.db2.gz JIQLKQFJSIPFFV-HXUWFJFHSA-N 0 1 406.461 4.190 20 0 HIADMN Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000439738346 865071459 /nfs/dbraw/zinc/07/14/59/865071459.db2.gz IYEQPGOSDKMLJQ-MRXNPFEDSA-N 0 1 423.948 4.185 20 0 HIADMN Cc1c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cnn1-c1ccccc1Cl ZINC000439741588 865074821 /nfs/dbraw/zinc/07/48/21/865074821.db2.gz GAGVWCIEQHDLHW-INIZCTEOSA-N 0 1 423.948 4.185 20 0 HIADMN CC(=O)c1ccc(-c2ccc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)o2)cc1 ZINC000439743830 865076411 /nfs/dbraw/zinc/07/64/11/865076411.db2.gz WYPWNEXBMCLPFJ-KRWDZBQOSA-N 0 1 417.509 4.500 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(OCc3ccccc3)nc2)CC1 ZINC000439759067 865085441 /nfs/dbraw/zinc/08/54/41/865085441.db2.gz SFNFOIGATDYQDH-IBGZPJMESA-N 0 1 416.525 4.011 20 0 HIADMN O=C(NCc1ccccc1OCC(F)(F)F)[C@H]1CCCCN1Cc1ccccc1 ZINC000467990260 881836723 /nfs/dbraw/zinc/83/67/23/881836723.db2.gz JVFDRYQABKQOBC-LJQANCHMSA-N 0 1 406.448 4.299 20 0 HIADMN COc1ccc(Sc2nsc(NC(=O)c3cc(-c4cccnc4)on3)n2)cc1 ZINC000439827864 865144148 /nfs/dbraw/zinc/14/41/48/865144148.db2.gz CPEPOIHKEIUDEW-UHFFFAOYSA-N 0 1 411.468 4.000 20 0 HIADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(F)cc2F)[C@H]2CCCC[C@@H]12 ZINC000439920021 865225945 /nfs/dbraw/zinc/22/59/45/865225945.db2.gz LPBMOOVUYBXHFA-IPNHASCSSA-N 0 1 421.532 4.087 20 0 HIADMN Cc1ccc(-c2ccnn2C)cc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000439951847 865245537 /nfs/dbraw/zinc/24/55/37/865245537.db2.gz HDMBBWOTHYGBBI-OAQYLSRUSA-N 0 1 407.518 4.337 20 0 HIADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(C)cc2F)[C@H]2CCCC[C@H]12 ZINC000439982214 865284081 /nfs/dbraw/zinc/28/40/81/865284081.db2.gz SQDOXUPPUUZQJJ-JUMAPTCESA-N 0 1 417.569 4.257 20 0 HIADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000440067515 865337225 /nfs/dbraw/zinc/33/72/25/865337225.db2.gz FMXLXEGGOLMSEV-UHFFFAOYSA-N 0 1 421.444 4.222 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440153810 865384260 /nfs/dbraw/zinc/38/42/60/865384260.db2.gz JHBWUJUKTNHVHQ-AREMUKBSSA-N 0 1 418.585 4.126 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440153811 865385049 /nfs/dbraw/zinc/38/50/49/865385049.db2.gz JHBWUJUKTNHVHQ-SANMLTNESA-N 0 1 418.585 4.126 20 0 HIADMN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@@H]1CCCN1C1CCCC1 ZINC000440163987 865393704 /nfs/dbraw/zinc/39/37/04/865393704.db2.gz MXPSZWQRUPMLGS-FQEVSTJZSA-N 0 1 410.587 4.047 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000440177948 865400873 /nfs/dbraw/zinc/40/08/73/865400873.db2.gz UKSNJTJMDKNFAA-WMZHIEFXSA-N 0 1 407.562 4.329 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000440179804 865402668 /nfs/dbraw/zinc/40/26/68/865402668.db2.gz DIRHAJRNMXQWTN-WZONZLPQSA-N 0 1 404.514 4.289 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000440179801 865404000 /nfs/dbraw/zinc/40/40/00/865404000.db2.gz DIRHAJRNMXQWTN-FDDCHVKYSA-N 0 1 404.514 4.289 20 0 HIADMN COc1cc(C)ccc1Oc1ccc(NC(=O)CSc2nnc(C)[nH]2)cc1F ZINC000468062740 881882232 /nfs/dbraw/zinc/88/22/32/881882232.db2.gz SUOKDZBWZLSHRL-UHFFFAOYSA-N 0 1 402.451 4.092 20 0 HIADMN COc1cc(C)ccc1Oc1ccc(NC(=O)CSc2nc(C)n[nH]2)cc1F ZINC000468062740 881882233 /nfs/dbraw/zinc/88/22/33/881882233.db2.gz SUOKDZBWZLSHRL-UHFFFAOYSA-N 0 1 402.451 4.092 20 0 HIADMN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1c(Cl)ccc2ccccc21 ZINC000440283543 865535742 /nfs/dbraw/zinc/53/57/42/865535742.db2.gz OUHHGSHBMQEFBP-QGZVFWFLSA-N 0 1 403.887 4.462 20 0 HIADMN O=C1CCCN1c1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)cc1 ZINC000440285271 865535986 /nfs/dbraw/zinc/53/59/86/865535986.db2.gz OWIZHVKGFRNOKT-UHFFFAOYSA-N 0 1 400.887 4.421 20 0 HIADMN 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Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)CCCCc1cn[nH]n1 ZINC000469122964 883219197 /nfs/dbraw/zinc/21/91/97/883219197.db2.gz YXKDOEOXPJOQBC-LBPRGKRZSA-N 0 1 403.939 4.480 20 0 HIADMN Cc1c([C@H](C)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cnn1C(C)(C)C ZINC000469191163 883290536 /nfs/dbraw/zinc/29/05/36/883290536.db2.gz MTRHLXHHMOIQTD-XJKSGUPXSA-N 0 1 408.468 4.421 20 0 HIADMN Cc1c(Br)ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1F ZINC000469213389 883312363 /nfs/dbraw/zinc/31/23/63/883312363.db2.gz SXBSXGORYBJBCW-CQSZACIVSA-N 0 1 420.326 4.247 20 0 HIADMN C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000469217892 883317526 /nfs/dbraw/zinc/31/75/26/883317526.db2.gz LSTURUAERSQFCD-LIRRHRJNSA-N 0 1 405.539 4.339 20 0 HIADMN CCN(CC)[C@H](C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000469222958 883322433 /nfs/dbraw/zinc/32/24/33/883322433.db2.gz VEHYVTUCAUAGQU-SFHVURJKSA-N 0 1 407.436 4.000 20 0 HIADMN O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000503604025 912697226 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CCc1c(NC(=O)c2cnn(C(C)C)c2)[nH]nc1-c1ccc(Br)cc1 ZINC000469361900 883485474 /nfs/dbraw/zinc/48/54/74/883485474.db2.gz ZBUBKGWPSFAWLZ-UHFFFAOYSA-N 0 1 402.296 4.431 20 0 HIADMN CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(F)cc1Cl ZINC000503614247 912714643 /nfs/dbraw/zinc/71/46/43/912714643.db2.gz FUTLJULSAIOKKK-UHFFFAOYSA-N 0 1 403.885 4.067 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc(COC4CCOCC4)c3)cccc21 ZINC000469365312 883488060 /nfs/dbraw/zinc/48/80/60/883488060.db2.gz TWIPSPICOVGQHC-JOCHJYFZSA-N 0 1 410.514 4.020 20 0 HIADMN Cn1ccnc1COc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000503627005 912725812 /nfs/dbraw/zinc/72/58/12/912725812.db2.gz IRJPNODXPVHEPL-UHFFFAOYSA-N 0 1 420.340 4.300 20 0 HIADMN Cn1ccnc1COc1ccc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000503627005 912725818 /nfs/dbraw/zinc/72/58/18/912725818.db2.gz IRJPNODXPVHEPL-UHFFFAOYSA-N 0 1 420.340 4.300 20 0 HIADMN COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000469415268 883588865 /nfs/dbraw/zinc/58/88/65/883588865.db2.gz BSLLCEZBZMWKEE-UHFFFAOYSA-N 0 1 420.484 4.271 20 0 HIADMN COc1ccc(OC)c(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469448699 883648961 /nfs/dbraw/zinc/64/89/61/883648961.db2.gz SLHBMWRGAKSLLE-QGZVFWFLSA-N 0 1 411.424 4.147 20 0 HIADMN FC(F)(F)c1cc([C@@H]2CN(Cc3n[nH]c(C4CC4)n3)CCO2)cc(C(F)(F)F)c1 ZINC000469457001 883665976 /nfs/dbraw/zinc/66/59/76/883665976.db2.gz NBDHTTVJXYARQV-AWEZNQCLSA-N 0 1 420.357 4.293 20 0 HIADMN CN(C)[C@@H](CNC(=O)CSc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000469482301 883716522 /nfs/dbraw/zinc/71/65/22/883716522.db2.gz RLQWVXUWJJUMBP-INIZCTEOSA-N 0 1 423.460 4.358 20 0 HIADMN CN(C)[C@@H](CNC(=O)CCc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000469486930 883722381 /nfs/dbraw/zinc/72/23/81/883722381.db2.gz AINZZZFPKLUGPO-SFHVURJKSA-N 0 1 400.391 4.335 20 0 HIADMN CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000469488483 883723746 /nfs/dbraw/zinc/72/37/46/883723746.db2.gz SXATYVGRUNOJHF-HSZRJFAPSA-N 0 1 414.981 4.103 20 0 HIADMN CCOc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1OC ZINC000469494108 883734788 /nfs/dbraw/zinc/73/47/88/883734788.db2.gz OOBOFZYASCWBMK-KRWDZBQOSA-N 0 1 410.436 4.145 20 0 HIADMN COc1ccc(CCC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1F ZINC000469501719 883745676 /nfs/dbraw/zinc/74/56/76/883745676.db2.gz NXCUJBIEUWYNOM-SFHVURJKSA-N 0 1 412.427 4.205 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cnc(-c2ccccn2)s1)c1cccc(C(F)(F)F)c1 ZINC000469501924 883748725 /nfs/dbraw/zinc/74/87/25/883748725.db2.gz QPRJMNVSJACFDT-MRXNPFEDSA-N 0 1 420.460 4.257 20 0 HIADMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000469506943 883757167 /nfs/dbraw/zinc/75/71/67/883757167.db2.gz PPBIXEVBTNKWKX-UHFFFAOYSA-N 0 1 408.874 4.319 20 0 HIADMN CCN(CC)[C@H](C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1)c1ccccc1 ZINC000469524443 883795883 /nfs/dbraw/zinc/79/58/83/883795883.db2.gz ZLVHTXKTUMZIPQ-YKSBVNFPSA-N 0 1 410.558 4.110 20 0 HIADMN Cc1nnc(SCCC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)[nH]1 ZINC000469526047 883798530 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883881587 /nfs/dbraw/zinc/88/15/87/883881587.db2.gz DBEJIJQMGHJXFC-OXJNMPFZSA-N 0 1 406.448 4.001 20 0 HIADMN CN(c1ccccc1)C1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469711191 883882563 /nfs/dbraw/zinc/88/25/63/883882563.db2.gz BLRBGMVYKRTGHT-HSZRJFAPSA-N 0 1 413.512 4.057 20 0 HIADMN COc1ccccc1[C@@H](NC(=O)CCSc1nnc(C)[nH]1)c1ccccc1Cl ZINC000469726337 883888129 /nfs/dbraw/zinc/88/81/29/883888129.db2.gz AESIXTVVUIVJSQ-IBGZPJMESA-N 0 1 416.934 4.163 20 0 HIADMN Cc1c2cc(C)ccc2sc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000469765976 883936299 /nfs/dbraw/zinc/93/62/99/883936299.db2.gz ALKNKQVHCZDSNI-UHFFFAOYSA-N 0 1 400.588 4.483 20 0 HIADMN CC(C)Cn1ncc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C1CC1 ZINC000469766876 883938017 /nfs/dbraw/zinc/93/80/17/883938017.db2.gz XXUQMAFWULOVNO-IBGZPJMESA-N 0 1 422.495 4.468 20 0 HIADMN C[C@H](c1nnnn1C1CCCCC1)N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000469769344 883941799 /nfs/dbraw/zinc/94/17/99/883941799.db2.gz ORWUQIGAAVYTSC-AEFFLSMTSA-N 0 1 412.586 4.285 20 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4.077 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CN[C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000479441371 894756847 /nfs/dbraw/zinc/75/68/47/894756847.db2.gz VKWNBVZXCYXEFU-LJQANCHMSA-N 0 1 410.543 4.357 20 0 HIADMN COc1cc2c(cc1OC)[C@@H](NCc1cc(Br)cc3c1OCC3)CC2 ZINC000479446493 894763472 /nfs/dbraw/zinc/76/34/72/894763472.db2.gz BWXGRNVZELUZJU-KRWDZBQOSA-N 0 1 404.304 4.178 20 0 HIADMN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2sc(-c3cccnc3)nc2C)s1 ZINC000479447606 894765139 /nfs/dbraw/zinc/76/51/39/894765139.db2.gz QKYNUHNAAPIJRR-LBPRGKRZSA-N 0 1 407.586 4.219 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CN[C@H](CO)c1ccc(Br)cc1 ZINC000479462529 894785426 /nfs/dbraw/zinc/78/54/26/894785426.db2.gz GCXOIVZIBJFSPV-HXUWFJFHSA-N 0 1 413.315 4.343 20 0 HIADMN CCOCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)cc1 ZINC000479485022 894806854 /nfs/dbraw/zinc/80/68/54/894806854.db2.gz TWLVPWRUVRMIOJ-UHFFFAOYSA-N 0 1 413.923 4.093 20 0 HIADMN CC(C)Cn1ncc(NS(=O)(=O)c2ccc(Br)cc2F)c1C(C)C ZINC000479488408 894809388 /nfs/dbraw/zinc/80/93/88/894809388.db2.gz HKVROMYRHAOPMB-UHFFFAOYSA-N 0 1 418.332 4.365 20 0 HIADMN O=S(=O)(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc2ncsc2c1 ZINC000479506487 894821932 /nfs/dbraw/zinc/82/19/32/894821932.db2.gz YHTYBSILWBPEIU-UHFFFAOYSA-N 0 1 406.382 4.177 20 0 HIADMN O=C(CN[C@@H]1CCSc2ccc(Br)cc21)N1Cc2ccccc2C1 ZINC000479511260 894824559 /nfs/dbraw/zinc/82/45/59/894824559.db2.gz INXPUBWHFXPXTO-QGZVFWFLSA-N 0 1 403.345 4.118 20 0 HIADMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000479540500 894843285 /nfs/dbraw/zinc/84/32/85/894843285.db2.gz GACBLTYTXCOESC-KBPBESRZSA-N 0 1 424.419 4.358 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c(Cl)c1 ZINC000479553077 894850793 /nfs/dbraw/zinc/85/07/93/894850793.db2.gz OYJGCCYIPRSCGA-UHFFFAOYSA-N 0 1 404.919 4.138 20 0 HIADMN C[C@@H](NCc1ccc(I)cc1Cl)c1cccc(CO)c1 ZINC000479554097 894852386 /nfs/dbraw/zinc/85/23/86/894852386.db2.gz KXTKRISQZVLMMR-LLVKDONJSA-N 0 1 401.675 4.288 20 0 HIADMN O=C(CN[C@@H]1CCc2c1cc(Cl)cc2Br)N1Cc2ccccc2C1 ZINC000479556890 894855734 /nfs/dbraw/zinc/85/57/34/894855734.db2.gz WHVZBVDQKANNSB-GOSISDBHSA-N 0 1 405.723 4.222 20 0 HIADMN CCc1ccc([C@@H](CNCc2cccc(Cl)c2S(=O)(=O)CC)N(C)C)cc1 ZINC000479563649 894860506 /nfs/dbraw/zinc/86/05/06/894860506.db2.gz NQAGEGWUIXSXFH-HXUWFJFHSA-N 0 1 408.995 4.089 20 0 HIADMN c1ccc(CCCOc2cccc(CNCc3cccc(N4CCOCC4)n3)c2)cc1 ZINC000479586100 894873248 /nfs/dbraw/zinc/87/32/48/894873248.db2.gz LAOUVCFGABTKSM-UHFFFAOYSA-N 0 1 417.553 4.220 20 0 HIADMN O=C(COc1ccc(Cl)c2ccccc12)NC1CCN(Cc2cccnc2)CC1 ZINC000479618291 894887286 /nfs/dbraw/zinc/88/72/86/894887286.db2.gz RBMDPTYZQITOOB-UHFFFAOYSA-N 0 1 409.917 4.048 20 0 HIADMN COc1ccc(Oc2ccc(CNCc3cccc(N4CCOCC4)n3)cc2)cc1 ZINC000479619406 894888806 /nfs/dbraw/zinc/88/88/06/894888806.db2.gz YSMHUDMHXXXRLO-UHFFFAOYSA-N 0 1 405.498 4.009 20 0 HIADMN COc1sc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1Br ZINC000505264531 913920709 /nfs/dbraw/zinc/92/07/09/913920709.db2.gz CZEHJBARVDOWFT-LBPRGKRZSA-N 0 1 407.337 4.293 20 0 HIADMN CC(C)[C@@](C)(NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1 ZINC000479709533 895006004 /nfs/dbraw/zinc/00/60/04/895006004.db2.gz YJQFSEZDNQMMNB-QFBILLFUSA-N 0 1 405.340 4.420 20 0 HIADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccn(-c2c(F)cccc2F)n1 ZINC000479787124 895091509 /nfs/dbraw/zinc/09/15/09/895091509.db2.gz WHYIRFUJQMTHRP-SFHVURJKSA-N 0 1 409.396 4.131 20 0 HIADMN COc1ccc2cc(CNC(=O)c3ccc(CN4CCSCC4)cc3)ccc2c1 ZINC000512381080 921118973 /nfs/dbraw/zinc/11/89/73/921118973.db2.gz MFQVCIDONXIKEU-UHFFFAOYSA-N 0 1 406.551 4.327 20 0 HIADMN CCc1c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cnn1-c1ccccc1Cl ZINC000479806122 895111438 /nfs/dbraw/zinc/11/14/38/895111438.db2.gz RCKQYMOWZGSVKI-UHFFFAOYSA-N 0 1 423.904 4.260 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)c1cnc(-c2ccccc2)nc1C)N1CCCC1 ZINC000479840162 895167718 /nfs/dbraw/zinc/16/77/18/895167718.db2.gz NXWRDTDBTLDDAZ-QFIPXVFZSA-N 0 1 416.525 4.028 20 0 HIADMN C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc(F)cc1Br ZINC000479885231 895229866 /nfs/dbraw/zinc/22/98/66/895229866.db2.gz DWBNYOMLLHPJQI-HNNXBMFYSA-N 0 1 407.327 4.271 20 0 HIADMN COc1ccc(C(C)(C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000479921609 895270034 /nfs/dbraw/zinc/27/00/34/895270034.db2.gz FCKCLGGFUTVWHG-UHFFFAOYSA-N 0 1 400.950 4.407 20 0 HIADMN COc1cccc(CN[C@H]2CCCOc3ccc(I)cc32)c1 ZINC000480027542 895377650 /nfs/dbraw/zinc/37/76/50/895377650.db2.gz AYDGECKFNZQYIX-KRWDZBQOSA-N 0 1 409.267 4.303 20 0 HIADMN COc1cc(OC2CC2)ccc1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000480043471 895392855 /nfs/dbraw/zinc/39/28/55/895392855.db2.gz VLZWZMGIAHQEIQ-UHFFFAOYSA-N 0 1 418.497 4.041 20 0 HIADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccnc3cc(F)c(OC)cc32)C1 ZINC000480053788 895402890 /nfs/dbraw/zinc/40/28/90/895402890.db2.gz HOPVKNYVAAUVNH-CYBMUJFWSA-N 0 1 413.415 4.010 20 0 HIADMN O=C(CCCc1ccc(Br)s1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000480058922 895406829 /nfs/dbraw/zinc/40/68/29/895406829.db2.gz PKXJJVIDSPEDLK-UHFFFAOYSA-N 0 1 410.312 4.208 20 0 HIADMN COc1cc(NC2CCN(c3ccnc4cc(F)c(OC)cc43)CC2)cc(OC)c1 ZINC000480062527 895411338 /nfs/dbraw/zinc/41/13/38/895411338.db2.gz QSWRMVYWXWTYPV-UHFFFAOYSA-N 0 1 411.477 4.481 20 0 HIADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1 ZINC000480189142 895585138 /nfs/dbraw/zinc/58/51/38/895585138.db2.gz ASLRAMYSSUUAJE-UHFFFAOYSA-N 0 1 403.287 4.151 20 0 HIADMN CCc1c(NS(=O)(=O)c2ccccc2F)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000480229633 895633646 /nfs/dbraw/zinc/63/36/46/895633646.db2.gz LRGYYPLYWCOKEM-UHFFFAOYSA-N 0 1 413.396 4.393 20 0 HIADMN CN1CCO[C@@H]([C@@H](NCc2ccc(OCC3CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000480300064 895705698 /nfs/dbraw/zinc/70/56/98/895705698.db2.gz HGCCYVWASZORQG-PKTZIBPZSA-N 0 1 400.950 4.290 20 0 HIADMN CC(C)CCOc1ccc([C@H](C)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000480308529 895711710 /nfs/dbraw/zinc/71/17/10/895711710.db2.gz MIAXSHMMWROHMP-SFHVURJKSA-N 0 1 404.576 4.213 20 0 HIADMN CC(C)CCOc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000480308526 895712645 /nfs/dbraw/zinc/71/26/45/895712645.db2.gz MIAXSHMMWROHMP-GOSISDBHSA-N 0 1 404.576 4.213 20 0 HIADMN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(SCC(F)F)cc1 ZINC000480312300 895715552 /nfs/dbraw/zinc/71/55/52/895715552.db2.gz UUHVPZOELOGFMX-AWEZNQCLSA-N 0 1 414.543 4.145 20 0 HIADMN COc1ccc([C@H](CNC(=O)N(Cc2ccccc2)CC(C)C)N(C)C)cc1OC ZINC000480324902 895726438 /nfs/dbraw/zinc/72/64/38/895726438.db2.gz BSWLJRHEXMOCRJ-NRFANRHFSA-N 0 1 413.562 4.174 20 0 HIADMN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000480341905 895746438 /nfs/dbraw/zinc/74/64/38/895746438.db2.gz ZFWGXVSXEZSAQX-QFIPXVFZSA-N 0 1 404.510 4.440 20 0 HIADMN COCCN(C)c1ccc(CN[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)cn1 ZINC000480345816 895751327 /nfs/dbraw/zinc/75/13/27/895751327.db2.gz WLVUGVVKARCYQX-XMMPIXPASA-N 0 1 409.505 4.191 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)n[nH]1 ZINC000480347252 895752883 /nfs/dbraw/zinc/75/28/83/895752883.db2.gz KVDCEDWZPBNCGG-LLVKDONJSA-N 0 1 404.486 4.145 20 0 HIADMN Cc1ccc(Br)cc1NC(=O)CCNCc1nccn1-c1ccccc1 ZINC000480357118 895763318 /nfs/dbraw/zinc/76/33/18/895763318.db2.gz CEGICUNRGKEKSE-UHFFFAOYSA-N 0 1 413.319 4.062 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000480408294 895809299 /nfs/dbraw/zinc/80/92/99/895809299.db2.gz URICKCIYDSWQPA-FXAWDEMLSA-N 0 1 423.001 4.197 20 0 HIADMN Cc1c([C@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000480421028 895817112 /nfs/dbraw/zinc/81/71/12/895817112.db2.gz YEFVCJPBJSFVBZ-UUOWRZLLSA-N 0 1 408.521 4.044 20 0 HIADMN COC(=O)c1csc(-c2cccc(CNCc3cn(-c4ccccc4)nc3C)c2)n1 ZINC000480484142 895860331 /nfs/dbraw/zinc/86/03/31/895860331.db2.gz ZKUIFKLWKHKWPV-UHFFFAOYSA-N 0 1 418.522 4.381 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)n2)cc1 ZINC000480506102 895874076 /nfs/dbraw/zinc/87/40/76/895874076.db2.gz RCLKEDYUTGFEER-IBGZPJMESA-N 0 1 424.526 4.069 20 0 HIADMN O=C1NC2(CCCC2)C(=O)N1CCCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000480527017 895890276 /nfs/dbraw/zinc/89/02/76/895890276.db2.gz IYFNCKPCZARXAI-UHFFFAOYSA-N 0 1 420.435 4.310 20 0 HIADMN Fc1ccccc1COc1ccc(CN2CCC[C@H](c3nnc4ccccn43)C2)cn1 ZINC000480537231 895899428 /nfs/dbraw/zinc/89/94/28/895899428.db2.gz NMODEAWGVQFXFG-IBGZPJMESA-N 0 1 417.488 4.222 20 0 HIADMN CCOc1c(Cl)cccc1CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000480550409 895910610 /nfs/dbraw/zinc/91/06/10/895910610.db2.gz HWXCUUVQWFWURL-SFHVURJKSA-N 0 1 424.932 4.473 20 0 HIADMN C[C@H](NCc1ccc(N2CCCC2)nc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480553819 895915255 /nfs/dbraw/zinc/91/52/55/895915255.db2.gz MMIJTSHDTBQCQY-SFHVURJKSA-N 0 1 413.587 4.249 20 0 HIADMN CCCOc1ccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c(OC2CCCC2)c1 ZINC000480590739 895952386 /nfs/dbraw/zinc/95/23/86/895952386.db2.gz FZXYPXOEFRJDCL-UHFFFAOYSA-N 0 1 422.485 4.024 20 0 HIADMN COC[C@H](NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1cccc(C(F)(F)F)c1 ZINC000480600626 895965069 /nfs/dbraw/zinc/96/50/69/895965069.db2.gz LBLURFCKSXXVFI-FTRWYGJKSA-N 0 1 423.479 4.191 20 0 HIADMN CC(C)[C@@H](CNC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1)N1CCN(C)CC1 ZINC000505356828 914021053 /nfs/dbraw/zinc/02/10/53/914021053.db2.gz AUZMIMJAHIHYDB-XMMPIXPASA-N 0 1 407.602 4.019 20 0 HIADMN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCOc4c(Cl)cccc43)cn2)C[C@H](C)O1 ZINC000480611417 895977180 /nfs/dbraw/zinc/97/71/80/895977180.db2.gz MSISZFDNXWVIEW-GQIGUUNPSA-N 0 1 401.938 4.352 20 0 HIADMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(F)c(Br)c1 ZINC000480611355 895977584 /nfs/dbraw/zinc/97/75/84/895977584.db2.gz KKVZHWBGLKBCGP-QLFBSQMISA-N 0 1 422.342 4.448 20 0 HIADMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(Br)s1 ZINC000480611485 895977631 /nfs/dbraw/zinc/97/76/31/895977631.db2.gz NACSCWYUWUTHPC-HZSPNIEDSA-N 0 1 410.381 4.370 20 0 HIADMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc(OC)c1OC ZINC000480631138 896000893 /nfs/dbraw/zinc/00/08/93/896000893.db2.gz NDHRJHXHWXFXED-KGLIPLIRSA-N 0 1 416.909 4.358 20 0 HIADMN Clc1sc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc1Br ZINC000480637059 896007562 /nfs/dbraw/zinc/00/75/62/896007562.db2.gz PQWRIKNHVHEEJB-INIZCTEOSA-N 0 1 415.784 4.327 20 0 HIADMN CC[C@@H](C)n1nc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1C ZINC000480651548 896019492 /nfs/dbraw/zinc/01/94/92/896019492.db2.gz QTNXXJWBNXGADL-MRXNPFEDSA-N 0 1 402.970 4.458 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000480655707 896024410 /nfs/dbraw/zinc/02/44/10/896024410.db2.gz XPEPVPPRZTWVDJ-OALUTQOASA-N 0 1 411.502 4.082 20 0 HIADMN C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000480656008 896024717 /nfs/dbraw/zinc/02/47/17/896024717.db2.gz ZCVLKCIZPAJMDP-CQSZACIVSA-N 0 1 405.429 4.267 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccccc3OCC(C)C)n2)cc1 ZINC000480661752 896028019 /nfs/dbraw/zinc/02/80/19/896028019.db2.gz IVWBPOBHZNTZJN-UHFFFAOYSA-N 0 1 410.543 4.223 20 0 HIADMN CCCCCc1nnc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)s1 ZINC000480664251 896031743 /nfs/dbraw/zinc/03/17/43/896031743.db2.gz MXFDNGLGCJJMJC-UHFFFAOYSA-N 0 1 402.549 4.095 20 0 HIADMN Fc1ccc([C@H](NCCc2ccc(OCC(F)(F)F)nc2)c2ccccn2)cc1 ZINC000480672315 896036269 /nfs/dbraw/zinc/03/62/69/896036269.db2.gz YYXFOHJBAXZJGJ-FQEVSTJZSA-N 0 1 405.395 4.479 20 0 HIADMN O=S1(=O)CCCN1c1ccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)cc1F ZINC000480706936 896068741 /nfs/dbraw/zinc/06/87/41/896068741.db2.gz JONZWRTZDHRBPV-GOSISDBHSA-N 0 1 424.925 4.023 20 0 HIADMN O=S1(=O)CCCN1c1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)cc1F ZINC000480712782 896074473 /nfs/dbraw/zinc/07/44/73/896074473.db2.gz UASOFBIRWCAGMR-GOSISDBHSA-N 0 1 424.925 4.023 20 0 HIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCc1cccc(N2CCOCC2)n1 ZINC000480730493 896092313 /nfs/dbraw/zinc/09/23/13/896092313.db2.gz USWWOAPWWGYUKF-OAHLLOKOSA-N 0 1 412.534 4.340 20 0 HIADMN COc1ccc([C@H](Cc2ccc(F)cc2)NCc2cccc(N3CCOCC3)n2)cc1 ZINC000480745718 896107365 /nfs/dbraw/zinc/10/73/65/896107365.db2.gz DFCMYINOZBRGBU-DEOSSOPVSA-N 0 1 421.516 4.140 20 0 HIADMN COc1ccc2ccccc2c1-c1cc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)on1 ZINC000480746247 896108021 /nfs/dbraw/zinc/10/80/21/896108021.db2.gz FXCVXJSUKDXLRU-GOSISDBHSA-N 0 1 421.541 4.189 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)n[nH]1 ZINC000480750632 896113499 /nfs/dbraw/zinc/11/34/99/896113499.db2.gz OVKOYBHXBMKDRW-SECBINFHSA-N 0 1 424.345 4.431 20 0 HIADMN CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(OCc3cccc(C)c3)cc2)c1 ZINC000480756866 896117826 /nfs/dbraw/zinc/11/78/26/896117826.db2.gz KFLKOIMFLWYKOB-LJQANCHMSA-N 0 1 424.566 4.333 20 0 HIADMN C[C@H](N[C@H]1CCCc2occc21)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000480769634 896130877 /nfs/dbraw/zinc/13/08/77/896130877.db2.gz IWAWXVFVXSDZLX-YWZLYKJASA-N 0 1 400.500 4.079 20 0 HIADMN CCC(=O)Nc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000480785906 896152442 /nfs/dbraw/zinc/15/24/42/896152442.db2.gz NDNCNUSORLTQAT-UHFFFAOYSA-N 0 1 409.515 4.168 20 0 HIADMN CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000480795738 896164630 /nfs/dbraw/zinc/16/46/30/896164630.db2.gz YXVGGXANJVCBLK-QUCCMNQESA-N 0 1 416.953 4.193 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCc3ccc4ccccc4c3)n2)cc1 ZINC000480811471 896182430 /nfs/dbraw/zinc/18/24/30/896182430.db2.gz ILQGHTDSYJTGOV-UHFFFAOYSA-N 0 1 402.523 4.384 20 0 HIADMN C[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1cccc(N2CCCC2=O)c1 ZINC000480887167 896243976 /nfs/dbraw/zinc/24/39/76/896243976.db2.gz CXFKQMARSXQCJK-ZDUSSCGKSA-N 0 1 413.319 4.303 20 0 HIADMN Cc1ccc(CN2CC[C@H](NCc3ccc(Oc4cccnc4)c(C)c3)C2=O)cc1 ZINC000480916604 896275379 /nfs/dbraw/zinc/27/53/79/896275379.db2.gz ZZSBRIJHMUWOTC-QHCPKHFHSA-N 0 1 401.510 4.381 20 0 HIADMN C[C@H](NCc1cccc(Cn2cccn2)c1)c1ccccc1I ZINC000480915920 896275635 /nfs/dbraw/zinc/27/56/35/896275635.db2.gz YVRPMXQKUWESQS-HNNXBMFYSA-N 0 1 417.294 4.387 20 0 HIADMN C[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1cc(Br)ccc1F ZINC000480919080 896277522 /nfs/dbraw/zinc/27/75/22/896277522.db2.gz DRVPPCKUEVMWQF-AWEZNQCLSA-N 0 1 414.340 4.244 20 0 HIADMN CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000481018068 896346972 /nfs/dbraw/zinc/34/69/72/896346972.db2.gz DFMGFLQIXMNVNP-AWEZNQCLSA-N 0 1 400.466 4.243 20 0 HIADMN COCCOc1ccccc1CN[C@@H]1CCCOc2ccc(Br)cc21 ZINC000481034047 896360936 /nfs/dbraw/zinc/36/09/36/896360936.db2.gz GTEZZDNDZCSQBN-GOSISDBHSA-N 0 1 406.320 4.478 20 0 HIADMN CC(C)NS(=O)(=O)c1cccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000481036535 896363596 /nfs/dbraw/zinc/36/35/96/896363596.db2.gz NKVYOVBZMWPIOK-LJQANCHMSA-N 0 1 408.951 4.030 20 0 HIADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(SCC(F)(F)F)cc2)c1 ZINC000481037796 896364058 /nfs/dbraw/zinc/36/40/58/896364058.db2.gz NBKWXGDIJAVGHS-CYBMUJFWSA-N 0 1 418.506 4.100 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@H]3CCc4ccccc4C3)cc2)C[C@@H](C)O1 ZINC000481117094 896442540 /nfs/dbraw/zinc/44/25/40/896442540.db2.gz NUFPICCZXIBIJK-VIZSFHNOSA-N 0 1 406.570 4.107 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)n2)cc1 ZINC000481146808 896474431 /nfs/dbraw/zinc/47/44/31/896474431.db2.gz SHDRREXAJPLAJL-PZJWPPBQSA-N 0 1 422.554 4.156 20 0 HIADMN CC(=O)N[C@@H](C)C1CCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000481150101 896480581 /nfs/dbraw/zinc/48/05/81/896480581.db2.gz CIEXDGJHKKYUCP-JTSKRJEESA-N 0 1 404.514 4.063 20 0 HIADMN C[C@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000481210552 896563519 /nfs/dbraw/zinc/56/35/19/896563519.db2.gz WBVNSLHXLNEKET-KRWDZBQOSA-N 0 1 408.464 4.267 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cccc(NC(=O)c4ccoc4)c3)[nH]n2)cc1 ZINC000481214663 896568224 /nfs/dbraw/zinc/56/82/24/896568224.db2.gz MBGQYYJBUMRLJJ-UHFFFAOYSA-N 0 1 402.410 4.183 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)[nH]n2)cc1 ZINC000481245916 896596976 /nfs/dbraw/zinc/59/69/76/896596976.db2.gz LGEGCHMKGFXUHC-OAQYLSRUSA-N 0 1 401.470 4.247 20 0 HIADMN COC(=O)c1sc2[nH]c(CN[C@@H](CC3CCC3)c3ccccc3)nc(=O)c2c1C ZINC000481262723 896611186 /nfs/dbraw/zinc/61/11/86/896611186.db2.gz XAENNQYJVOQCON-INIZCTEOSA-N 0 1 411.527 4.101 20 0 HIADMN O=C(Nc1ccc(OCC(F)F)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000481266533 896615042 /nfs/dbraw/zinc/61/50/42/896615042.db2.gz QOPKXKGLEPLDPL-UHFFFAOYSA-N 0 1 407.436 4.256 20 0 HIADMN COCc1c(Br)cccc1NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000481294839 896639842 /nfs/dbraw/zinc/63/98/42/896639842.db2.gz USBQHVHIYZJZIG-UHFFFAOYSA-N 0 1 416.275 4.247 20 0 HIADMN COc1ccc(-c2nc(CC(=O)Nc3cc4cn[nH]c4cc3C)cs2)cc1OC ZINC000481297511 896641603 /nfs/dbraw/zinc/64/16/03/896641603.db2.gz DWXLEDJGYFOMDN-UHFFFAOYSA-N 0 1 408.483 4.193 20 0 HIADMN COc1ccc(CN[C@H]2CCc3c2cc(Br)cc3F)c(OC)c1OC ZINC000481302877 896649096 /nfs/dbraw/zinc/64/90/96/896649096.db2.gz AEGHXDRRVLWOMU-INIZCTEOSA-N 0 1 410.283 4.391 20 0 HIADMN C[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cc(F)cc(F)c1 ZINC000481302958 896649305 /nfs/dbraw/zinc/64/93/05/896649305.db2.gz FJOLJLXXPGBRCT-JKSUJKDBSA-N 0 1 408.514 4.236 20 0 HIADMN CC(C)CN(CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCCc2cccnc21 ZINC000481306301 896653266 /nfs/dbraw/zinc/65/32/66/896653266.db2.gz ANAQLCVKZWTEHD-XUZZJYLKSA-N 0 1 420.601 4.060 20 0 HIADMN C[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cc(Br)ccc1F ZINC000481308221 896655045 /nfs/dbraw/zinc/65/50/45/896655045.db2.gz FXQFVUROXVKNMN-OAHLLOKOSA-N 0 1 407.327 4.271 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(C)C ZINC000481319862 896672164 /nfs/dbraw/zinc/67/21/64/896672164.db2.gz YNDHVSZNQFMVBZ-XMMPIXPASA-N 0 1 414.509 4.347 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000481323781 896677647 /nfs/dbraw/zinc/67/76/47/896677647.db2.gz PDEXFSZVXJPWSP-UHFFFAOYSA-N 0 1 406.515 4.306 20 0 HIADMN COC(=O)c1ccc(C)c(NC(=O)CN(CC(C)C)[C@@H]2CCCc3cccnc32)c1 ZINC000481326181 896683245 /nfs/dbraw/zinc/68/32/45/896683245.db2.gz ARDBGWXVJQLVSX-OAQYLSRUSA-N 0 1 409.530 4.151 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000481340543 896706877 /nfs/dbraw/zinc/70/68/77/896706877.db2.gz BTRKEKHEQCKRTI-WTOYTKOKSA-N 0 1 402.498 4.283 20 0 HIADMN Cc1cc(C(=O)Nc2cc3cn[nH]c3cc2C)c2cnn(Cc3cccs3)c2n1 ZINC000481347362 896717709 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4.282 20 0 HIADMN CCS[C@H]1CCCCN(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000481400765 896808408 /nfs/dbraw/zinc/80/84/08/896808408.db2.gz CGVSPWHTKSMORB-SFTDATJTSA-N 0 1 405.608 4.149 20 0 HIADMN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000481482258 896865280 /nfs/dbraw/zinc/86/52/80/896865280.db2.gz PHEPMHGEXCLDBJ-UHFFFAOYSA-N 0 1 403.373 4.172 20 0 HIADMN CC[C@@H](NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1nc2ccccc2[nH]1 ZINC000481509336 896879608 /nfs/dbraw/zinc/87/96/08/896879608.db2.gz QVYCHMRWCQYMGT-OAHLLOKOSA-N 0 1 406.515 4.016 20 0 HIADMN COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000481544557 896904921 /nfs/dbraw/zinc/90/49/21/896904921.db2.gz PJSRMXBBYGEXMG-DLBZAZTESA-N 0 1 400.494 4.440 20 0 HIADMN O=C(NC[C@@H]1CCCO1)c1cccc(CN[C@H]2CCSc3c(F)cccc32)c1 ZINC000481555116 896925595 /nfs/dbraw/zinc/92/55/95/896925595.db2.gz DEAJSYAUDWWROP-PXNSSMCTSA-N 0 1 400.519 4.061 20 0 HIADMN COc1cc([C@@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)ccc1SC 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899390070 /nfs/dbraw/zinc/39/00/70/899390070.db2.gz RXWBBFJMBPHEET-HXUWFJFHSA-N 0 1 400.320 4.157 20 0 HIADMN Cc1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1-c1ncco1 ZINC000483764938 899426099 /nfs/dbraw/zinc/42/60/99/899426099.db2.gz WFGHVXMSBKSAES-UHFFFAOYSA-N 0 1 405.502 4.354 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000483819497 899498151 /nfs/dbraw/zinc/49/81/51/899498151.db2.gz JWSKSOGTSPNQRF-AEFFLSMTSA-N 0 1 412.500 4.237 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3cnn(Cc4ccccc4)c3)ccc2NC1=O ZINC000483837403 899517592 /nfs/dbraw/zinc/51/75/92/899517592.db2.gz GSVAITNVHAWCLV-HOIFWPIMSA-N 0 1 404.514 4.453 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000483861809 899544865 /nfs/dbraw/zinc/54/48/65/899544865.db2.gz KGTVWEXNBHWOII-IAGOWNOFSA-N 0 1 412.500 4.319 20 0 HIADMN Cc1cc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)ccc1Br ZINC000483875121 899553231 /nfs/dbraw/zinc/55/32/31/899553231.db2.gz XCBASGJERIYFPC-UHFFFAOYSA-N 0 1 424.383 4.114 20 0 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O=C(COc1ccccc1Br)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000484386697 899920648 /nfs/dbraw/zinc/92/06/48/899920648.db2.gz PEDQEJLRUGALHE-KRWDZBQOSA-N 0 1 416.275 4.194 20 0 HIADMN CC(C)[C@H](NC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C(C)(C)O ZINC000484482418 899974173 /nfs/dbraw/zinc/97/41/73/899974173.db2.gz CYIGFVXKAZERMT-LBPRGKRZSA-N 0 1 408.371 4.134 20 0 HIADMN C[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-c2cccnc2)cc1 ZINC000484484962 899976837 /nfs/dbraw/zinc/97/68/37/899976837.db2.gz AORCWQFSHFJYPH-ROUUACIJSA-N 0 1 409.555 4.411 20 0 HIADMN COc1ccc(Cc2nc(C)c([C@@H](C)N[C@@H](CO)c3ccccc3)s2)cc1OC ZINC000484502006 899992199 /nfs/dbraw/zinc/99/21/99/899992199.db2.gz PCQJSRZTHWXSQG-BEFAXECRSA-N 0 1 412.555 4.444 20 0 HIADMN COc1ccc([C@H](C)NCc2ccc(C)cc2OC[C@H]2CCCO2)cc1NC(C)=O ZINC000484506399 899998094 /nfs/dbraw/zinc/99/80/94/899998094.db2.gz WXJCFDDNJKWYSR-LAUBAEHRSA-N 0 1 412.530 4.371 20 0 HIADMN COCc1ccccc1S(=O)(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F ZINC000484517541 900006219 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CN(C)Cc1ccc(CNC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1F ZINC000541798256 939635576 /nfs/dbraw/zinc/63/55/76/939635576.db2.gz IFVGYJKSLFWYFH-UHFFFAOYSA-N 0 1 424.524 4.087 20 0 HIADMN CC(=O)Nc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000541916648 939653238 /nfs/dbraw/zinc/65/32/38/939653238.db2.gz XLGNNVPHFIKKIY-ITEAAPOESA-N 0 1 401.938 4.021 20 0 HIADMN CC(=O)Nc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000541916649 939653319 /nfs/dbraw/zinc/65/33/19/939653319.db2.gz XLGNNVPHFIKKIY-RXYZOABWSA-N 0 1 401.938 4.021 20 0 HIADMN CSC[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000541917731 939653993 /nfs/dbraw/zinc/65/39/93/939653993.db2.gz XHWRXRBKGFICRF-QGZVFWFLSA-N 0 1 421.481 4.312 20 0 HIADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Br)cc1OC ZINC000541926994 939656127 /nfs/dbraw/zinc/65/61/27/939656127.db2.gz RYYYDZQTTWZNQB-UHFFFAOYSA-N 0 1 405.336 4.182 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NCc2ncc(Br)s2)cc1 ZINC000541993401 939672763 /nfs/dbraw/zinc/67/27/63/939672763.db2.gz RKXREPYJHPKSKJ-UHFFFAOYSA-N 0 1 423.380 4.332 20 0 HIADMN CC(=O)Nc1ccc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)nc1 ZINC000542005281 939681338 /nfs/dbraw/zinc/68/13/38/939681338.db2.gz XYOCATFAKYQYDH-UHFFFAOYSA-N 0 1 407.380 4.114 20 0 HIADMN Cc1nc2ccccc2n1CCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000542014899 939686000 /nfs/dbraw/zinc/68/60/00/939686000.db2.gz LOMFAKQWBHBOGN-QFIPXVFZSA-N 0 1 410.949 4.342 20 0 HIADMN CN(C)Cc1cc(CNC(=O)N2CCCc3c4cccc(F)c4[nH]c3C2)ccc1F ZINC000542019421 939687982 /nfs/dbraw/zinc/68/79/82/939687982.db2.gz UALDUPQJEZRAFU-UHFFFAOYSA-N 0 1 412.484 4.166 20 0 HIADMN Cc1cc(C2CCN(Cc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)CC2)[nH]n1 ZINC000542040921 939696419 /nfs/dbraw/zinc/69/64/19/939696419.db2.gz FQYFSBWFVPNROL-UHFFFAOYSA-N 0 1 409.555 4.239 20 0 HIADMN Cc1cc(C2CCN(CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC2)n[nH]1 ZINC000542045182 939697644 /nfs/dbraw/zinc/69/76/44/939697644.db2.gz PGEQSMLIKCZVSZ-XMMPIXPASA-N 0 1 420.582 4.133 20 0 HIADMN Cc1cc(C2CCN(CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC2)[nH]n1 ZINC000542045182 939697648 /nfs/dbraw/zinc/69/76/48/939697648.db2.gz PGEQSMLIKCZVSZ-XMMPIXPASA-N 0 1 420.582 4.133 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000542047698 939698619 /nfs/dbraw/zinc/69/86/19/939698619.db2.gz OEFGNBPDDKZDNZ-MDNHHPLHSA-N 0 1 408.951 4.072 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3c[nH]nc3-c3ccccc3)c2C1 ZINC000542060252 939701498 /nfs/dbraw/zinc/70/14/98/939701498.db2.gz BIRZDDAXVKSDQJ-MRXNPFEDSA-N 0 1 417.513 4.014 20 0 HIADMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542067198 939702030 /nfs/dbraw/zinc/70/20/30/939702030.db2.gz LEFLLMWUHBAZNE-IBGZPJMESA-N 0 1 401.388 4.309 20 0 HIADMN COCCn1cc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c(C)n1 ZINC000542091326 939707704 /nfs/dbraw/zinc/70/77/04/939707704.db2.gz YDWOOXRQPPRHFE-UHFFFAOYSA-N 0 1 409.877 4.287 20 0 HIADMN CCc1cnccc1[C@H](C)NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000542122383 939721063 /nfs/dbraw/zinc/72/10/63/939721063.db2.gz AZKKJELNZYSOIV-NSHDSACASA-N 0 1 410.301 4.027 20 0 HIADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NCc1ncc(CC)s1 ZINC000542137030 939726217 /nfs/dbraw/zinc/72/62/17/939726217.db2.gz ZRRPOAPJDOUKPN-NSHDSACASA-N 0 1 409.577 4.067 20 0 HIADMN Fc1ccc(-n2cc(CNCCc3nc4ccccc4n3C(F)F)nn2)cc1Cl ZINC000542136406 939726427 /nfs/dbraw/zinc/72/64/27/939726427.db2.gz AFKSWKZJRLSJHM-UHFFFAOYSA-N 0 1 420.826 4.137 20 0 HIADMN COC(=O)[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1F ZINC000542215922 939761279 /nfs/dbraw/zinc/76/12/79/939761279.db2.gz PEPCZMAGHYGUFT-CQSZACIVSA-N 0 1 422.279 4.380 20 0 HIADMN CC[C@H](N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccccc1OC(F)F ZINC000542258575 939774579 /nfs/dbraw/zinc/77/45/79/939774579.db2.gz YGSPYVLVWYDBMK-HOTGVXAUSA-N 0 1 416.390 4.444 20 0 HIADMN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542371425 939809295 /nfs/dbraw/zinc/80/92/95/939809295.db2.gz IRINBQZQNQJMKQ-FPOVZHCZSA-N 0 1 401.514 4.357 20 0 HIADMN Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542371429 939809385 /nfs/dbraw/zinc/80/93/85/939809385.db2.gz IRINBQZQNQJMKQ-TZIWHRDSSA-N 0 1 401.514 4.357 20 0 HIADMN O=C(NCC1Cc2ccccc2C1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542418061 939818072 /nfs/dbraw/zinc/81/80/72/939818072.db2.gz HLWBBYLTVNJYQT-OAQYLSRUSA-N 0 1 407.562 4.156 20 0 HIADMN Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000542419673 939818417 /nfs/dbraw/zinc/81/84/17/939818417.db2.gz LAJGZOPSJXMHSY-HXUWFJFHSA-N 0 1 413.485 4.335 20 0 HIADMN Cc1ccnn1-c1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000542419673 939818418 /nfs/dbraw/zinc/81/84/18/939818418.db2.gz LAJGZOPSJXMHSY-HXUWFJFHSA-N 0 1 413.485 4.335 20 0 HIADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](c3ccccc3)c3ccc(F)cn3)C2)c1 ZINC000542472021 939828538 /nfs/dbraw/zinc/82/85/38/939828538.db2.gz HZVQVMMKSBJYJH-DVECYGJZSA-N 0 1 407.489 4.196 20 0 HIADMN Cc1ccc(CCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000542471358 939828545 /nfs/dbraw/zinc/82/85/45/939828545.db2.gz APLFEHXTCWAILA-IBGZPJMESA-N 0 1 402.420 4.279 20 0 HIADMN C[C@H](OC1CCCCCC1)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000542474770 939829065 /nfs/dbraw/zinc/82/90/65/939829065.db2.gz LMMNFGDNEVDBFO-SUMWQHHRSA-N 0 1 410.440 4.157 20 0 HIADMN O=C(Cc1cccc2ccccc21)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000542473386 939829077 /nfs/dbraw/zinc/82/90/77/939829077.db2.gz UVXBDLFRCUWPIN-HXUWFJFHSA-N 0 1 410.399 4.425 20 0 HIADMN COc1ccc([C@@H](CN[C@@H](c2ccco2)c2ccccc2)N2CCOCC2)cc1OC ZINC000542481264 939830818 /nfs/dbraw/zinc/83/08/18/939830818.db2.gz ZUCVLNPSBCBIGA-PXDATVDWSA-N 0 1 422.525 4.049 20 0 HIADMN COCc1ccc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1 ZINC000542481011 939830913 /nfs/dbraw/zinc/83/09/13/939830913.db2.gz UYCYGPVWDGHHCI-NRFANRHFSA-N 0 1 402.485 4.457 20 0 HIADMN COC1CCC(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000542485754 939831527 /nfs/dbraw/zinc/83/15/27/939831527.db2.gz IMJTXXDDRHKSKG-BPZDKFOGSA-N 0 1 409.498 4.005 20 0 HIADMN Cc1ccccc1[C@@H](CN1CCOCC1)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000542500288 939833166 /nfs/dbraw/zinc/83/31/66/939833166.db2.gz UFQHKVMBFXHLEP-TVZXLZGTSA-N 0 1 423.601 4.090 20 0 HIADMN Cc1ccc(S(=O)(=O)N[C@@H](CN2CCC[C@H]2c2ccc[nH]2)c2ccccc2)cc1 ZINC000542508767 939834501 /nfs/dbraw/zinc/83/45/01/939834501.db2.gz QNNZCSILRQTNOY-GOTSBHOMSA-N 0 1 409.555 4.180 20 0 HIADMN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CCc1ccccc1 ZINC000542507915 939834619 /nfs/dbraw/zinc/83/46/19/939834619.db2.gz VXLSSRSZWWMOPH-GOSISDBHSA-N 0 1 408.464 4.348 20 0 HIADMN Cc1cccc(CNC(=O)CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000542518918 939836300 /nfs/dbraw/zinc/83/63/00/939836300.db2.gz JQCVXXNEVKTWAU-QHCPKHFHSA-N 0 1 416.500 4.131 20 0 HIADMN C[C@@H]1C[C@H](C)CN(C(=O)CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000542518576 939836380 /nfs/dbraw/zinc/83/63/80/939836380.db2.gz XUWQAZLQXYQTHF-SVMVAKDDSA-N 0 1 408.521 4.011 20 0 HIADMN CSc1cccc(NC(=O)[C@H](C)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000542529153 939837908 /nfs/dbraw/zinc/83/79/08/939837908.db2.gz PTIHYOQTUWGMDS-YPMHNXCESA-N 0 1 414.497 4.462 20 0 HIADMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(C)cc1Br)c1c(C)nn(C)c1C ZINC000542531120 939838609 /nfs/dbraw/zinc/83/86/09/939838609.db2.gz KAXZOATUCBXNON-CJNGLKHVSA-N 0 1 407.356 4.176 20 0 HIADMN CC[C@H](N[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(Cl)s1 ZINC000542559024 939843570 /nfs/dbraw/zinc/84/35/70/939843570.db2.gz LMUSTRLOIXNAOF-HIFRSBDPSA-N 0 1 410.967 4.207 20 0 HIADMN COC(=O)c1ccccc1NC(=O)CN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000542591697 939847043 /nfs/dbraw/zinc/84/70/43/939847043.db2.gz XFQSPNNHKPOECE-CQSZACIVSA-N 0 1 409.511 4.194 20 0 HIADMN O=C(c1cc(Cl)ccc1SC1CCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000542607091 939847804 /nfs/dbraw/zinc/84/78/04/939847804.db2.gz JCXAFKSVFRCGHG-MRXNPFEDSA-N 0 1 408.995 4.169 20 0 HIADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000542642659 939851227 /nfs/dbraw/zinc/85/12/27/939851227.db2.gz LZWHSCQSPSDGGT-QWHCGFSZSA-N 0 1 424.423 4.107 20 0 HIADMN FC(F)(F)c1ccc(CN2CC[C@H](N[C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000542663365 939852409 /nfs/dbraw/zinc/85/24/09/939852409.db2.gz UXNQGGRMSKIQFO-FCHUYYIVSA-N 0 1 412.459 4.449 20 0 HIADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2cccc3c2OCCCO3)cc1 ZINC000542666581 939852726 /nfs/dbraw/zinc/85/27/26/939852726.db2.gz OOQXPVBHZSWWLU-IRLDBZIGSA-N 0 1 415.555 4.031 20 0 HIADMN O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000542672315 939853122 /nfs/dbraw/zinc/85/31/22/939853122.db2.gz LDNQEWRQRAHKHY-GOSISDBHSA-N 0 1 405.285 4.176 20 0 HIADMN O=C(Nc1csc(-c2ccccn2)n1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000542673127 939853171 /nfs/dbraw/zinc/85/31/71/939853171.db2.gz AZJJDMPDEMOWLP-UHFFFAOYSA-N 0 1 413.409 4.449 20 0 HIADMN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000542672955 939853220 /nfs/dbraw/zinc/85/32/20/939853220.db2.gz GLADZYSYSQUEFG-QFIPXVFZSA-N 0 1 406.530 4.475 20 0 HIADMN Cc1ccc(Oc2ccc(OCC(=O)N[C@H](c3nnc[nH]3)c3ccccc3)cc2)cc1 ZINC000542674416 939853357 /nfs/dbraw/zinc/85/33/57/939853357.db2.gz WPUQICKATRCYFW-QHCPKHFHSA-N 0 1 414.465 4.190 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000542674917 939853361 /nfs/dbraw/zinc/85/33/61/939853361.db2.gz XPSJHYAMCAJQTH-FQEVSTJZSA-N 0 1 413.412 4.271 20 0 HIADMN CCC[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000542679761 939853742 /nfs/dbraw/zinc/85/37/42/939853742.db2.gz SWQNMVLWOFNAJX-GOSISDBHSA-N 0 1 416.543 4.291 20 0 HIADMN COc1ccc(C(=O)CCC(=O)Nc2cc(CN(C)C)ccc2OC)c(Cl)c1 ZINC000542820278 939861420 /nfs/dbraw/zinc/86/14/20/939861420.db2.gz ROSVUDBKPSDJEP-UHFFFAOYSA-N 0 1 404.894 4.020 20 0 HIADMN Cc1cc2c(cc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)OCO2 ZINC000542839082 939862309 /nfs/dbraw/zinc/86/23/09/939862309.db2.gz YUPBSIREAWPVRF-SFHVURJKSA-N 0 1 401.894 4.336 20 0 HIADMN C[C@@H](N[C@@H](CCO)c1ccccc1Br)c1ccc(-n2ccnc2)cc1 ZINC000542844067 939862437 /nfs/dbraw/zinc/86/24/37/939862437.db2.gz CGPJYNWORAGYOA-QRWLVFNGSA-N 0 1 400.320 4.409 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN(S(=O)(=O)Cc4ccc(F)c(Cl)c4)C3)[nH]c2c1 ZINC000542846521 939862570 /nfs/dbraw/zinc/86/25/70/939862570.db2.gz NIGGOTPQCGNRFF-HNNXBMFYSA-N 0 1 421.925 4.373 20 0 HIADMN CC(C)[C@H](NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000542920833 939877827 /nfs/dbraw/zinc/87/78/27/939877827.db2.gz TYYXHIFGWCUZQB-SBUREZEXSA-N 0 1 417.956 4.409 20 0 HIADMN FC(F)(F)c1ccc(CN2CC[C@H](NCc3ncc(Br)s3)C2)cc1 ZINC000542948355 939884126 /nfs/dbraw/zinc/88/41/26/939884126.db2.gz QTQIVLWACDWMSL-ZDUSSCGKSA-N 0 1 420.298 4.289 20 0 HIADMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543019499 939896221 /nfs/dbraw/zinc/89/62/21/939896221.db2.gz OEHSUZVQLFALFX-MOPGFXCFSA-N 0 1 420.479 4.120 20 0 HIADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N[C@@H](C)c1ccncc1CC ZINC000543052677 939911479 /nfs/dbraw/zinc/91/14/79/939911479.db2.gz PEDLVXLZFFCVIW-UONOGXRCSA-N 0 1 403.548 4.122 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](c1nnc2ccccn21)C(C)C ZINC000543065390 939919149 /nfs/dbraw/zinc/91/91/49/939919149.db2.gz LWTHUXDDXPBYAR-VBKZILBWSA-N 0 1 415.925 4.095 20 0 HIADMN Fc1ccc(CCNCc2ncc(Br)cc2Br)c(F)c1 ZINC000563749954 945282272 /nfs/dbraw/zinc/28/22/72/945282272.db2.gz GCJJENMQMKNVMB-UHFFFAOYSA-N 0 1 406.068 4.217 20 0 HIADMN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@H](c2ccc(F)cc2F)C(C)C)C1 ZINC000543090412 939937404 /nfs/dbraw/zinc/93/74/04/939937404.db2.gz JREAQTNBXNULQF-IBGZPJMESA-N 0 1 411.489 4.304 20 0 HIADMN Cc1csc(C2(NC[C@@H](O)COc3ccccc3C(F)(F)F)CCCC2)n1 ZINC000543139573 939966834 /nfs/dbraw/zinc/96/68/34/939966834.db2.gz QFKWGGZFCJOLAR-CQSZACIVSA-N 0 1 400.466 4.269 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000543156052 939978741 /nfs/dbraw/zinc/97/87/41/939978741.db2.gz DXURQPCNJXEEQU-QHCPKHFHSA-N 0 1 424.610 4.493 20 0 HIADMN O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000543162995 939981844 /nfs/dbraw/zinc/98/18/44/939981844.db2.gz UDDZPXMYEGYPNQ-UHFFFAOYSA-N 0 1 413.430 4.441 20 0 HIADMN CC(=O)NC1CCC(N(C)CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000543174708 939985411 /nfs/dbraw/zinc/98/54/11/939985411.db2.gz RCIWIBBCMITKQC-UHFFFAOYSA-N 0 1 409.530 4.105 20 0 HIADMN O[C@H](CN[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)COC[C@@H]1CCCO1 ZINC000543176787 939985985 /nfs/dbraw/zinc/98/59/85/939985985.db2.gz KDVBMDHNIYZFPL-LQWHRVPQSA-N 0 1 410.341 4.229 20 0 HIADMN CCc1cnc(CNCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)s1 ZINC000543176665 939986226 /nfs/dbraw/zinc/98/62/26/939986226.db2.gz JSAPDZIZXNSVBZ-UHFFFAOYSA-N 0 1 411.527 4.135 20 0 HIADMN Cc1nn(-c2ccncc2)cc1CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000543241505 940005672 /nfs/dbraw/zinc/00/56/72/940005672.db2.gz FQTYSGLZDSLAKL-UHFFFAOYSA-N 0 1 424.570 4.435 20 0 HIADMN O[C@H](COCc1cccs1)CN1CCC[C@@H]1c1ccc(Br)s1 ZINC000543247994 940007413 /nfs/dbraw/zinc/00/74/13/940007413.db2.gz LVAPXIKNJYJGPA-GXTWGEPZSA-N 0 1 402.379 4.287 20 0 HIADMN 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/nfs/dbraw/zinc/09/66/73/852096673.db2.gz RNKPUMJZMSVXBO-UHFFFAOYSA-N 0 1 424.472 4.150 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccco1 ZINC000065482678 852155058 /nfs/dbraw/zinc/15/50/58/852155058.db2.gz QKWKTLVTUWQENA-XMSQKQJNSA-N 0 1 415.534 4.130 20 0 HIADMN Cc1ccc(CN2CCCN(C(=O)NCCCCN(C)c3ccccc3)CC2)cc1 ZINC000065489491 852157184 /nfs/dbraw/zinc/15/71/84/852157184.db2.gz BBCAVWFZXQJJRC-UHFFFAOYSA-N 0 1 408.590 4.129 20 0 HIADMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000065498843 852158544 /nfs/dbraw/zinc/15/85/44/852158544.db2.gz CXPSKERSSSTAJC-OAHLLOKOSA-N 0 1 406.461 4.483 20 0 HIADMN CCCN1CCN(c2ccc(NC(=O)Cc3ccccc3OC)cc2Cl)CC1 ZINC000065723293 852235559 /nfs/dbraw/zinc/23/55/59/852235559.db2.gz BLYKNPQAZQKOMI-UHFFFAOYSA-N 0 1 401.938 4.062 20 0 HIADMN CCCN1CCN(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2Cl)CC1 ZINC000065723520 852235752 /nfs/dbraw/zinc/23/57/52/852235752.db2.gz HVODVUKMKHKIIY-UHFFFAOYSA-N 0 1 417.937 4.142 20 0 HIADMN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000065836617 852276607 /nfs/dbraw/zinc/27/66/07/852276607.db2.gz NXADCXBTIGKOEE-CQSZACIVSA-N 0 1 408.876 4.166 20 0 HIADMN CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065905768 852309516 /nfs/dbraw/zinc/30/95/16/852309516.db2.gz CZLJNCXFHNIQET-HXUWFJFHSA-N 0 1 404.470 4.040 20 0 HIADMN C#CCN(Cc1ccc(F)cc1)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000065911554 852312182 /nfs/dbraw/zinc/31/21/82/852312182.db2.gz VUVVSMAHSQHYFI-UHFFFAOYSA-N 0 1 407.514 4.202 20 0 HIADMN COc1ccc(OCc2ccccn2)c(CNCc2ccc(-n3ccnc3)cc2)c1 ZINC000065933868 852323493 /nfs/dbraw/zinc/32/34/93/852323493.db2.gz OQEVIEVXNMEDTH-UHFFFAOYSA-N 0 1 400.482 4.145 20 0 HIADMN Cc1ccc(C(=O)CCC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1C ZINC000065938002 852326899 /nfs/dbraw/zinc/32/68/99/852326899.db2.gz KBLBCFYXPUPZSR-UHFFFAOYSA-N 0 1 402.485 4.135 20 0 HIADMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000065956390 852331945 /nfs/dbraw/zinc/33/19/45/852331945.db2.gz YIKPQMOUKLXMHW-OAQYLSRUSA-N 0 1 404.558 4.231 20 0 HIADMN C[C@@H](NC(=O)CN1CCC(C(=O)NC2CCCCC2)CC1)c1cccc2ccccc21 ZINC000065964872 852334570 /nfs/dbraw/zinc/33/45/70/852334570.db2.gz RTXFKKJFYVGJIQ-LJQANCHMSA-N 0 1 421.585 4.178 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cc(C)cc(C)c3)n2)c(OC)c1 ZINC000066000114 852350111 /nfs/dbraw/zinc/35/01/11/852350111.db2.gz HTBXLMSHSHTDOO-CQSZACIVSA-N 0 1 412.515 4.225 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cc(F)ccc3C)n2)c(OC)c1 ZINC000066000120 852350385 /nfs/dbraw/zinc/35/03/85/852350385.db2.gz JJZDAOXDNFYCKE-GFCCVEGCSA-N 0 1 416.478 4.056 20 0 HIADMN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000066006169 852352287 /nfs/dbraw/zinc/35/22/87/852352287.db2.gz HSGKIPKTFAJFNT-UHFFFAOYSA-N 0 1 412.515 4.091 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(C)cc3C)n2)c(OC)c1 ZINC000066006042 852352367 /nfs/dbraw/zinc/35/23/67/852352367.db2.gz KPWAHKRSPFEJSJ-CQSZACIVSA-N 0 1 412.515 4.225 20 0 HIADMN COc1ccc([C@@H](CNC(=O)Cc2cccc(OC(C)C)c2)N2CCCCC2)cc1 ZINC000066015934 852355466 /nfs/dbraw/zinc/35/54/66/852355466.db2.gz WJFMXXQFCZSLOR-XMMPIXPASA-N 0 1 410.558 4.368 20 0 HIADMN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1c([O-])cc(F)cc1F ZINC000066048005 852365065 /nfs/dbraw/zinc/36/50/65/852365065.db2.gz UHOQEDXVFVKNRP-UHFFFAOYSA-N 0 1 414.374 4.084 20 0 HIADMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCCCCC1 ZINC000068846422 852373314 /nfs/dbraw/zinc/37/33/14/852373314.db2.gz XZERRMOEFKREIJ-UHFFFAOYSA-N 0 1 410.898 4.296 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc(F)c(F)cc2F)c1 ZINC000437156315 862350208 /nfs/dbraw/zinc/35/02/08/862350208.db2.gz YSYAFKQXTCLRDH-UHFFFAOYSA-N 0 1 405.420 4.171 20 0 HIADMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000068915217 852375599 /nfs/dbraw/zinc/37/55/99/852375599.db2.gz LYUSOIVJLDHRCD-FRRDWIJNSA-N 0 1 408.955 4.119 20 0 HIADMN Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1NC(=O)c1ccco1 ZINC000069232062 852389160 /nfs/dbraw/zinc/38/91/60/852389160.db2.gz UIVSSNSANSQZAB-FQEVSTJZSA-N 0 1 409.461 4.012 20 0 HIADMN CC(C)CN1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 ZINC000069368487 852393257 /nfs/dbraw/zinc/39/32/57/852393257.db2.gz MWFTWXCQOZTAAU-UHFFFAOYSA-N 0 1 405.546 4.093 20 0 HIADMN Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)s1 ZINC000069602111 852398872 /nfs/dbraw/zinc/39/88/72/852398872.db2.gz OCQRIUGJTWNACX-UHFFFAOYSA-N 0 1 405.951 4.063 20 0 HIADMN CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1C ZINC000071892174 852426156 /nfs/dbraw/zinc/42/61/56/852426156.db2.gz HKGJIMFXORMDOK-SFHVURJKSA-N 0 1 417.937 4.029 20 0 HIADMN CCOc1cc(F)ccc1NC(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000071923168 852432420 /nfs/dbraw/zinc/43/24/20/852432420.db2.gz QRNDPSSWCWZMQV-IBGZPJMESA-N 0 1 401.482 4.192 20 0 HIADMN CCCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1OC ZINC000072005054 852460233 /nfs/dbraw/zinc/46/02/33/852460233.db2.gz FKTLHXFEDPONIM-SFHVURJKSA-N 0 1 408.901 4.309 20 0 HIADMN Cc1ccc(C(=O)Nc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1C ZINC000072081474 852500213 /nfs/dbraw/zinc/50/02/13/852500213.db2.gz FJPXUGUJFOAJKU-UHFFFAOYSA-N 0 1 414.553 4.315 20 0 HIADMN Cc1nc(-c2ccccc2)sc1CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000072093147 852506747 /nfs/dbraw/zinc/50/67/47/852506747.db2.gz IUKICNAZQNXRSA-GOSISDBHSA-N 0 1 410.543 4.348 20 0 HIADMN COc1cccc([C@H](CNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)N(C)C)c1 ZINC000078551313 852518688 /nfs/dbraw/zinc/51/86/88/852518688.db2.gz FHBIMDZESSFAID-SFHVURJKSA-N 0 1 415.582 4.369 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)N(C)C)c1 ZINC000078551316 852518757 /nfs/dbraw/zinc/51/87/57/852518757.db2.gz FHBIMDZESSFAID-GOSISDBHSA-N 0 1 415.582 4.369 20 0 HIADMN O=C(CN1CCC(c2ccc(O)cc2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000097027645 852574161 /nfs/dbraw/zinc/57/41/61/852574161.db2.gz KLRHBNMYSJUWMC-UHFFFAOYSA-N 0 1 404.510 4.394 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2cnc3ccccc3c2C(F)(F)F)N(C)C)c1 ZINC000097089742 852581646 /nfs/dbraw/zinc/58/16/46/852581646.db2.gz JWQYXOXCFDDOFC-LJQANCHMSA-N 0 1 417.431 4.295 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2Br)N(C)C)c1 ZINC000097133709 852584832 /nfs/dbraw/zinc/58/48/32/852584832.db2.gz PVRGFINOCKLBNV-KRWDZBQOSA-N 0 1 411.727 4.144 20 0 HIADMN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)NCc1ccccc1CN1CCCC1=O ZINC000097205898 852588509 /nfs/dbraw/zinc/58/85/09/852588509.db2.gz RZTIZZUNZZKMEW-RBUKOAKNSA-N 0 1 407.558 4.439 20 0 HIADMN CC(C)(C)c1noc(CCCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 ZINC000097288010 852598345 /nfs/dbraw/zinc/59/83/45/852598345.db2.gz OFHPWNWNJSSMIT-JOCHJYFZSA-N 0 1 417.513 4.472 20 0 HIADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000097477212 852616830 /nfs/dbraw/zinc/61/68/30/852616830.db2.gz MURFGKZACOVKOC-UZUQRXQVSA-N 0 1 400.950 4.305 20 0 HIADMN CCOc1ccc(NC(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n(C)n2)cc1 ZINC000097506260 852621346 /nfs/dbraw/zinc/62/13/46/852621346.db2.gz VQQBSMZQXXMHQM-UHFFFAOYSA-N 0 1 424.520 4.128 20 0 HIADMN CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000097548759 852627189 /nfs/dbraw/zinc/62/71/89/852627189.db2.gz AYOPQTICWAPOCK-UHFFFAOYSA-N 0 1 415.334 4.024 20 0 HIADMN CCOC(=O)C1C(CSc2ccc(OCC)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000105321263 852698426 /nfs/dbraw/zinc/69/84/26/852698426.db2.gz GVSVLPUJVRJCJU-FQEVSTJZSA-N 0 1 412.511 4.049 20 0 HIADMN Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000105606673 852717491 /nfs/dbraw/zinc/71/74/91/852717491.db2.gz QTGKKLBBRUVNNX-TZIWHRDSSA-N 0 1 420.582 4.052 20 0 HIADMN Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000105606673 852717495 /nfs/dbraw/zinc/71/74/95/852717495.db2.gz QTGKKLBBRUVNNX-TZIWHRDSSA-N 0 1 420.582 4.052 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000106084188 852753431 /nfs/dbraw/zinc/75/34/31/852753431.db2.gz ZAGOVWCVCYYTCD-CALCHBBNSA-N 0 1 420.475 4.174 20 0 HIADMN Cc1ccc([C@@H](C)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 ZINC000107710520 852789275 /nfs/dbraw/zinc/78/92/75/852789275.db2.gz UDLALSKAXOITMZ-DNVCBOLYSA-N 0 1 419.447 4.294 20 0 HIADMN O=S(=O)(c1ccc(C[N@@H+](Cc2ccccc2)C2CCCCC2)o1)N1CCCC1 ZINC000108236467 852831248 /nfs/dbraw/zinc/83/12/48/852831248.db2.gz HSOVELMOTBYTSP-UHFFFAOYSA-N 0 1 402.560 4.399 20 0 HIADMN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000108555513 852859755 /nfs/dbraw/zinc/85/97/55/852859755.db2.gz MYXPJGDVPJJOOZ-INIZCTEOSA-N 0 1 415.490 4.074 20 0 HIADMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cc(-c2cccnc2)on1 ZINC000108725039 852875596 /nfs/dbraw/zinc/87/55/96/852875596.db2.gz WKOYBJCEQNTWLW-UHFFFAOYSA-N 0 1 408.421 4.441 20 0 HIADMN COc1ccc2[nH]cc(C3CCN(CC(=O)NCC4(c5ccccc5)CC4)CC3)c2c1 ZINC000108970306 852901692 /nfs/dbraw/zinc/90/16/92/852901692.db2.gz ZYKFDXLDJUPBCT-UHFFFAOYSA-N 0 1 417.553 4.204 20 0 HIADMN CCCCc1nc2ccc(NC(=O)COc3ccc(N4CCCC4=O)cc3)cc2[nH]1 ZINC000108999765 852906401 /nfs/dbraw/zinc/90/64/01/852906401.db2.gz XQAZQTSBIQCWOY-UHFFFAOYSA-N 0 1 406.486 4.050 20 0 HIADMN O=C(Cc1nc(CSc2nc(-c3ccccc3)n[nH]2)cs1)Nc1ccccc1 ZINC000109069687 852916873 /nfs/dbraw/zinc/91/68/73/852916873.db2.gz QVSUOQWRPPDWOZ-UHFFFAOYSA-N 0 1 407.524 4.402 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1cccnc1SCc1cc(C)on1)c1ccco1 ZINC000109301989 852949439 /nfs/dbraw/zinc/94/94/39/852949439.db2.gz KQDAHXUTLHKAIF-SFHVURJKSA-N 0 1 414.531 4.076 20 0 HIADMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1 ZINC000109485575 852975890 /nfs/dbraw/zinc/97/58/90/852975890.db2.gz YRVZFNDIIVIUPF-IIBYNOLFSA-N 0 1 409.555 4.082 20 0 HIADMN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000109499040 852978323 /nfs/dbraw/zinc/97/83/23/852978323.db2.gz LDVDSIVFERDZTG-UHFFFAOYSA-N 0 1 423.586 4.430 20 0 HIADMN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000109577252 852988322 /nfs/dbraw/zinc/98/83/22/852988322.db2.gz SYYBCINEUXTGGT-IBGZPJMESA-N 0 1 400.526 4.212 20 0 HIADMN CCOCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000109645572 852993853 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20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(Br)c2C)N(C)C)c1 ZINC000303118352 854768967 /nfs/dbraw/zinc/76/89/67/854768967.db2.gz DXEMBSRLSZDFEN-GOSISDBHSA-N 0 1 406.324 4.191 20 0 HIADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000303135453 854778712 /nfs/dbraw/zinc/77/87/12/854778712.db2.gz LEDKWFBTPWQKII-DOTOQJQBSA-N 0 1 415.559 4.056 20 0 HIADMN COc1cc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)ccc1C ZINC000303157807 854791300 /nfs/dbraw/zinc/79/13/00/854791300.db2.gz OIWCWIWKCRRRTG-UHFFFAOYSA-N 0 1 409.530 4.461 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000303159437 854792318 /nfs/dbraw/zinc/79/23/18/854792318.db2.gz WYVLKQNOLHJMDQ-UTKZUKDTSA-N 0 1 423.582 4.391 20 0 HIADMN Cc1nc(C(=O)N2CCN(CCC(C)(C)C)CC2)nn1-c1c(Cl)cccc1Cl ZINC000303160473 854793317 /nfs/dbraw/zinc/79/33/17/854793317.db2.gz GYEDOTXOALIXPH-UHFFFAOYSA-N 0 1 424.376 4.077 20 0 HIADMN O=C(NCCCc1ccc(Cl)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000303173372 854800317 /nfs/dbraw/zinc/80/03/17/854800317.db2.gz ZAEDGCIJZBSYOP-UHFFFAOYSA-N 0 1 403.929 4.376 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)CNC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000303191158 854809704 /nfs/dbraw/zinc/80/97/04/854809704.db2.gz FONXKFTXSICPBV-UHFFFAOYSA-N 0 1 413.949 4.430 20 0 HIADMN C[C@@H](CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc2C1 ZINC000303192846 854810858 /nfs/dbraw/zinc/81/08/58/854810858.db2.gz XEDGRJWQXPMIEA-INIZCTEOSA-N 0 1 402.460 4.300 20 0 HIADMN CN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000303218794 854822734 /nfs/dbraw/zinc/82/27/34/854822734.db2.gz UKCIXHQOKALDPE-MSOLQXFVSA-N 0 1 404.341 4.487 20 0 HIADMN COc1ccc(NC(=O)CN(Cc2ccc3c(c2)CCO3)C2CCCC2)cc1OC ZINC000303233797 854828339 /nfs/dbraw/zinc/82/83/39/854828339.db2.gz YPXBTXJFRYEPQK-UHFFFAOYSA-N 0 1 410.514 4.022 20 0 HIADMN Cn1c(=O)c2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)cc2[nH]c1=S ZINC000303239033 854831000 /nfs/dbraw/zinc/83/10/00/854831000.db2.gz IGAXITPGWXONRK-SFHVURJKSA-N 0 1 413.930 4.147 20 0 HIADMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000303291099 854855027 /nfs/dbraw/zinc/85/50/27/854855027.db2.gz KYECVBFHJFRKRQ-QFIPXVFZSA-N 0 1 424.614 4.270 20 0 HIADMN COc1ccc(CCC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000303309301 854864912 /nfs/dbraw/zinc/86/49/12/854864912.db2.gz OPAATMJHCPDZFS-UHFFFAOYSA-N 0 1 400.950 4.310 20 0 HIADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C1(c2ccccc2Cl)CCOCC1 ZINC000303312428 854867010 /nfs/dbraw/zinc/86/70/10/854867010.db2.gz PHNDRXCIVQUPCT-FQEVSTJZSA-N 0 1 412.961 4.169 20 0 HIADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000303342125 854882398 /nfs/dbraw/zinc/88/23/98/854882398.db2.gz WJEJYWUXCRVYLT-HNNXBMFYSA-N 0 1 422.356 4.151 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)c(Cl)c1 ZINC000303422383 854924895 /nfs/dbraw/zinc/92/48/95/854924895.db2.gz AXWMQNFWJVJSEO-UHFFFAOYSA-N 0 1 415.964 4.163 20 0 HIADMN COc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1Br ZINC000303450986 854949330 /nfs/dbraw/zinc/94/93/30/854949330.db2.gz CQOWLEPOSDGHLA-BLLLJJGKSA-N 0 1 407.283 4.053 20 0 HIADMN CCN1CCCC[C@H]1CNC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C ZINC000303476935 854972092 /nfs/dbraw/zinc/97/20/92/854972092.db2.gz JPVJCSMGGPCQKY-KRWDZBQOSA-N 0 1 403.523 4.052 20 0 HIADMN CSc1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)o1 ZINC000303496791 854985853 /nfs/dbraw/zinc/98/58/53/854985853.db2.gz XLBZUVNWQNGWKV-UHFFFAOYSA-N 0 1 401.532 4.458 20 0 HIADMN CSCc1noc(CCC(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)n1 ZINC000437348184 862627480 /nfs/dbraw/zinc/62/74/80/862627480.db2.gz PGZHVUFBGKUDNH-UHFFFAOYSA-N 0 1 411.462 4.186 20 0 HIADMN Cc1ccc(OCc2nc(CNC3CCN(C(=O)c4ccco4)CC3)cs2)cc1 ZINC000303530691 855017873 /nfs/dbraw/zinc/01/78/73/855017873.db2.gz DUFYMKKJXNXLAB-UHFFFAOYSA-N 0 1 411.527 4.018 20 0 HIADMN COc1ccc(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303555802 855037798 /nfs/dbraw/zinc/03/77/98/855037798.db2.gz KHEDGCBRNCIWEQ-INIZCTEOSA-N 0 1 412.839 4.372 20 0 HIADMN C[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000303556105 855037898 /nfs/dbraw/zinc/03/78/98/855037898.db2.gz WTEFPGZAXCDXIY-AWEZNQCLSA-N 0 1 407.436 4.088 20 0 HIADMN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000303579084 855053940 /nfs/dbraw/zinc/05/39/40/855053940.db2.gz ZVHUTXDUKIOSNX-AWEZNQCLSA-N 0 1 408.926 4.434 20 0 HIADMN COc1cc(C)c([C@@H](C)NC(=O)CN(CCc2cccc(F)c2)C2CC2)cc1OC ZINC000303602025 855071172 /nfs/dbraw/zinc/07/11/72/855071172.db2.gz NUKDAVDNZFBKSM-QGZVFWFLSA-N 0 1 414.521 4.036 20 0 HIADMN Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)cc21 ZINC000303613304 855077239 /nfs/dbraw/zinc/07/72/39/855077239.db2.gz BZFXTRPLLBPSNZ-CALCHBBNSA-N 0 1 409.505 4.155 20 0 HIADMN Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)cc21 ZINC000303613306 855077440 /nfs/dbraw/zinc/07/74/40/855077440.db2.gz BZFXTRPLLBPSNZ-IRXDYDNUSA-N 0 1 409.505 4.155 20 0 HIADMN Cc1nn(Cc2ccccc2Cl)c(Cl)c1CNCC[S@](=O)C(C)(C)C ZINC000303678564 855127028 /nfs/dbraw/zinc/12/70/28/855127028.db2.gz RCIHTBSSLDFOEJ-VWLOTQADSA-N 0 1 402.391 4.183 20 0 HIADMN CCOC(=O)c1cc(CC)sc1NC(=O)CN[C@H](c1ncccc1C)C(C)C ZINC000303683149 855130828 /nfs/dbraw/zinc/13/08/28/855130828.db2.gz JSFPTLAUAUZPBH-SFHVURJKSA-N 0 1 403.548 4.116 20 0 HIADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000303690969 855136544 /nfs/dbraw/zinc/13/65/44/855136544.db2.gz VHYIBHMGZCFSNE-IXDOHACOSA-N 0 1 424.413 4.478 20 0 HIADMN Cc1ccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)c(OCC(F)(F)F)c1 ZINC000303693066 855137300 /nfs/dbraw/zinc/13/73/00/855137300.db2.gz NCEJXKLYKYZDHT-UHFFFAOYSA-N 0 1 413.415 4.459 20 0 HIADMN O=C(NCc1ccco1)c1cccc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000303722540 855151129 /nfs/dbraw/zinc/15/11/29/855151129.db2.gz BIEUFGVTZQDPQI-OAQYLSRUSA-N 0 1 420.484 4.444 20 0 HIADMN CN(C(=O)NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000303725693 855153287 /nfs/dbraw/zinc/15/32/87/855153287.db2.gz SORBIVSRIOAHFH-FGZHOGPDSA-N 0 1 410.562 4.117 20 0 HIADMN Cc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](c4nnc5ccccn54)C3)n2)cc1F ZINC000303732809 855158460 /nfs/dbraw/zinc/15/84/60/855158460.db2.gz FHKPXAJKXUBEIU-NVXWUHKLSA-N 0 1 406.465 4.167 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cccc(F)c1 ZINC000303764338 855183842 /nfs/dbraw/zinc/18/38/42/855183842.db2.gz PHKHJWWHPVEISQ-IBGZPJMESA-N 0 1 420.410 4.063 20 0 HIADMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000303784960 855196996 /nfs/dbraw/zinc/19/69/96/855196996.db2.gz TYJCMYRUGAFQCE-QFIPXVFZSA-N 0 1 405.546 4.091 20 0 HIADMN O=C(CN1CCN(CCCc2ccc(Cl)cc2)CC1)Nc1ccccc1Cl ZINC000303786632 855197699 /nfs/dbraw/zinc/19/76/99/855197699.db2.gz DQRQGTKFGCOWIF-UHFFFAOYSA-N 0 1 406.357 4.182 20 0 HIADMN CN(C(=O)CN1CCN(CCCc2cccc3ccccc32)CC1)C1CCCCC1 ZINC000303820893 855221648 /nfs/dbraw/zinc/22/16/48/855221648.db2.gz XPBUKUJSPBSFTL-UHFFFAOYSA-N 0 1 407.602 4.181 20 0 HIADMN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)c1 ZINC000303847567 855244032 /nfs/dbraw/zinc/24/40/32/855244032.db2.gz CWDXGNDQWUYOOT-NSHDSACASA-N 0 1 402.426 4.072 20 0 HIADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1 ZINC000303901795 855277032 /nfs/dbraw/zinc/27/70/32/855277032.db2.gz LIDYLUZROAZHKK-UHFFFAOYSA-N 0 1 421.585 4.038 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccccc3SCC=C(C)C)n2)cc1 ZINC000303927765 855297121 /nfs/dbraw/zinc/29/71/21/855297121.db2.gz UZKJZISVBFHSRU-UHFFFAOYSA-N 0 1 408.527 4.469 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)c3ccccc3SCC=C(C)C)n[nH]2)cc1 ZINC000303927765 855297125 /nfs/dbraw/zinc/29/71/25/855297125.db2.gz UZKJZISVBFHSRU-UHFFFAOYSA-N 0 1 408.527 4.469 20 0 HIADMN CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000303928411 855297348 /nfs/dbraw/zinc/29/73/48/855297348.db2.gz QCOJWVPGGSBYGI-LLVKDONJSA-N 0 1 402.426 4.072 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccc(Sc2ccccc2Cl)nn1)c1cccs1 ZINC000303956066 855318987 /nfs/dbraw/zinc/31/89/87/855318987.db2.gz XHUIPKDEAVFLMC-OAHLLOKOSA-N 0 1 418.975 4.375 20 0 HIADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000303968338 855328801 /nfs/dbraw/zinc/32/88/01/855328801.db2.gz ZGHAATLBEQSAGX-KBAYOESNSA-N 0 1 424.413 4.478 20 0 HIADMN Cc1ccc(-c2ccc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)c(F)c2)cc1 ZINC000303974282 855331712 /nfs/dbraw/zinc/33/17/12/855331712.db2.gz FMSWRSHRPGKGNX-UHFFFAOYSA-N 0 1 405.473 4.214 20 0 HIADMN COc1ccc(CNCC2=CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 ZINC000306115449 855362309 /nfs/dbraw/zinc/36/23/09/855362309.db2.gz VYFPCSPQFYUPEC-UHFFFAOYSA-N 0 1 411.340 4.115 20 0 HIADMN CC(C)(C)OC(=O)NC/C=C/CNCc1cc(Br)ccc1OC(F)F ZINC000310870084 855367620 /nfs/dbraw/zinc/36/76/20/855367620.db2.gz ZGPFYVUPURPSDX-SNAWJCMRSA-N 0 1 421.282 4.221 20 0 HIADMN C[C@@H]([NH2+]Cc1cccc([O-])c1Br)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000315911800 855379097 /nfs/dbraw/zinc/37/90/97/855379097.db2.gz OURUQJVDEYTVAU-UKRRQHHQSA-N 0 1 413.356 4.280 20 0 HIADMN O=S(=O)(Nc1cc2c(cc1Cl)OCCCO2)c1sccc1Br ZINC000316215111 855380094 /nfs/dbraw/zinc/38/00/94/855380094.db2.gz YJZWYIBBZQXYAW-UHFFFAOYSA-N 0 1 424.725 4.126 20 0 HIADMN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000317713899 855382332 /nfs/dbraw/zinc/38/23/32/855382332.db2.gz IVQZLNXNZIHDBP-UHFFFAOYSA-N 0 1 407.692 4.108 20 0 HIADMN Brc1cnc(CNCCCn2cnc3ccccc32)c(Br)c1 ZINC000317666506 855382386 /nfs/dbraw/zinc/38/23/86/855382386.db2.gz DSLWODMLAHCHEP-UHFFFAOYSA-N 0 1 424.140 4.136 20 0 HIADMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1Cl ZINC000320523631 855387961 /nfs/dbraw/zinc/38/79/61/855387961.db2.gz HGHHGXBEOWFYHV-UHFFFAOYSA-N 0 1 421.675 4.001 20 0 HIADMN O=S(=O)(Nc1ccccc1-n1ccnc1)c1ccc(Br)cc1Cl ZINC000320290596 855388726 /nfs/dbraw/zinc/38/87/26/855388726.db2.gz YOLZLIRSCJPKRA-UHFFFAOYSA-N 0 1 412.696 4.089 20 0 HIADMN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1ccc(Br)cc1Cl ZINC000321171403 855390172 /nfs/dbraw/zinc/39/01/72/855390172.db2.gz RFWBMNHCMYQTON-UHFFFAOYSA-N 0 1 412.696 4.089 20 0 HIADMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1Cl ZINC000323153703 855394707 /nfs/dbraw/zinc/39/47/07/855394707.db2.gz JFIXBOGRIHCAJE-UHFFFAOYSA-N 0 1 424.675 4.060 20 0 HIADMN O=C(c1cc(Cl)ccc1Br)N1CCCN(Cc2ccccc2)CC1 ZINC000324310628 855398508 /nfs/dbraw/zinc/39/85/08/855398508.db2.gz SERJIRNQWFBQOC-UHFFFAOYSA-N 0 1 407.739 4.451 20 0 HIADMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3Br)cc2)co1 ZINC000324689541 855399384 /nfs/dbraw/zinc/39/93/84/855399384.db2.gz SIIGEVFISNBVAP-UHFFFAOYSA-N 0 1 411.252 4.352 20 0 HIADMN COC(=O)c1ccc(CN(C)[C@H](C)Cc2ccccc2OC)c(Br)c1 ZINC000327703209 855418959 /nfs/dbraw/zinc/41/89/59/855418959.db2.gz XPAHDQBVQCXBFD-CQSZACIVSA-N 0 1 406.320 4.307 20 0 HIADMN O=S(=O)(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cncc(Br)c1 ZINC000388770158 855448130 /nfs/dbraw/zinc/44/81/30/855448130.db2.gz GCXKBJHHKLEUEZ-UHFFFAOYSA-N 0 1 415.618 4.317 20 0 HIADMN COc1cc(CNCc2cnn(Cc3ccccc3)c2)cc(Br)c1OC ZINC000390422156 855454941 /nfs/dbraw/zinc/45/49/41/855454941.db2.gz KKHSLAZRNXAPKI-UHFFFAOYSA-N 0 1 416.319 4.001 20 0 HIADMN O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cc(Cl)ccc1Br ZINC000390738835 855456228 /nfs/dbraw/zinc/45/62/28/855456228.db2.gz AKRZUERPIRXXOZ-INIZCTEOSA-N 0 1 407.739 4.497 20 0 HIADMN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1cnc(Cl)c(Cl)c1 ZINC000391296261 855459990 /nfs/dbraw/zinc/45/99/90/855459990.db2.gz UNQUYGKFEQPPHJ-UHFFFAOYSA-N 0 1 403.621 4.444 20 0 HIADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000409535531 855529857 /nfs/dbraw/zinc/52/98/57/855529857.db2.gz NDSSUJCZOCNASA-UHFFFAOYSA-N 0 1 419.503 4.022 20 0 HIADMN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000409606185 855562476 /nfs/dbraw/zinc/56/24/76/855562476.db2.gz CXPGUEXBJMDCMM-UHFFFAOYSA-N 0 1 408.571 4.319 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c(F)cccc2SC)CC1 ZINC000409660541 855589688 /nfs/dbraw/zinc/58/96/88/855589688.db2.gz AUEKCDDUAAJSRS-OAHLLOKOSA-N 0 1 419.541 4.320 20 0 HIADMN O=C(NC1CCN(Cc2cccnc2)CC1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409715276 855616726 /nfs/dbraw/zinc/61/67/26/855616726.db2.gz PFDMLYNZGPRTFO-UHFFFAOYSA-N 0 1 413.565 4.264 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC1CC(c2ccccc2)C1 ZINC000409750806 855634955 /nfs/dbraw/zinc/63/49/55/855634955.db2.gz DLGPRTZGUAYYJL-UHFFFAOYSA-N 0 1 407.558 4.360 20 0 HIADMN C[C@H](N[C@@H]1CCOc2c(Br)cccc21)C(=O)NCc1ccc(Cl)cc1 ZINC000409859958 855691780 /nfs/dbraw/zinc/69/17/80/855691780.db2.gz ORESWCHZDODCNA-YVEFUNNKSA-N 0 1 423.738 4.221 20 0 HIADMN Cc1ccc(F)cc1NC(=O)[C@H](C)N[C@H]1CCOc2c(Br)cccc21 ZINC000409875708 855701041 /nfs/dbraw/zinc/70/10/41/855701041.db2.gz OABJQNRBTGKCPC-LRDDRELGSA-N 0 1 407.283 4.337 20 0 HIADMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccccc1Br ZINC000409875097 855701115 /nfs/dbraw/zinc/70/11/15/855701115.db2.gz KYZASINBIAROMV-CQSZACIVSA-N 0 1 417.351 4.128 20 0 HIADMN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000409881927 855705036 /nfs/dbraw/zinc/70/50/36/855705036.db2.gz ZXPXKORINWYXKD-GOSISDBHSA-N 0 1 422.916 4.082 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)C(Cc1ccccc1)Cc1ccccc1 ZINC000409933179 855731540 /nfs/dbraw/zinc/73/15/40/855731540.db2.gz NVQPIGWDLFDRRS-UHFFFAOYSA-N 0 1 410.521 4.232 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)c2cnc(-c3ccccc3F)s2)CC1 ZINC000409948812 855739762 /nfs/dbraw/zinc/73/97/62/855739762.db2.gz RCJBCMLZBYBHMR-UHFFFAOYSA-N 0 1 410.518 4.343 20 0 HIADMN Cc1[nH]c(SCC(=O)NCCc2nc3c(cccc3C)o2)nc1Cc1ccccc1 ZINC000437393237 862722858 /nfs/dbraw/zinc/72/28/58/862722858.db2.gz XXMJEBXSHSDWDV-UHFFFAOYSA-N 0 1 420.538 4.210 20 0 HIADMN COc1ccc2ccccc2c1CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000410184111 855853706 /nfs/dbraw/zinc/85/37/06/855853706.db2.gz FGRXMKYEPLHPKC-UHFFFAOYSA-N 0 1 418.541 4.230 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)N3c4ccccc4CC[C@H]3C)ccc2NC1=O ZINC000410214776 855864824 /nfs/dbraw/zinc/86/48/24/855864824.db2.gz JDQGMLNXWPBNQH-VLMPBXDWSA-N 0 1 421.541 4.203 20 0 HIADMN NC(=O)c1cc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)ccc1Cl ZINC000410348024 855941484 /nfs/dbraw/zinc/94/14/84/855941484.db2.gz GRCVOUDQSJLBJP-GOSISDBHSA-N 0 1 421.328 4.051 20 0 HIADMN COc1c(C)ccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000410352046 855943964 /nfs/dbraw/zinc/94/39/64/855943964.db2.gz HEUVOFQACQNQLN-HDICACEKSA-N 0 1 411.546 4.243 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000410359297 855948935 /nfs/dbraw/zinc/94/89/35/855948935.db2.gz LBSCGVYYESYLFR-OYRHEFFESA-N 0 1 421.585 4.385 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(Cl)c(F)c3)cc2)C[C@H](C)O1 ZINC000410364751 855952525 /nfs/dbraw/zinc/95/25/25/855952525.db2.gz ZTZRRFLRBOMMRM-GASCZTMLSA-N 0 1 405.901 4.410 20 0 HIADMN COc1c(F)cc(NS(=O)(=O)c2ccc(Cl)cc2Br)cc1F ZINC000410371631 855957008 /nfs/dbraw/zinc/95/70/08/855957008.db2.gz GGYLIUMTDHGJJA-UHFFFAOYSA-N 0 1 412.639 4.190 20 0 HIADMN CCN(CCNC(=O)N(C)Cc1c(Cl)cccc1Cl)CCC(F)(F)F ZINC000425970286 856022938 /nfs/dbraw/zinc/02/29/38/856022938.db2.gz ZUZAPMMLVFMACP-UHFFFAOYSA-N 0 1 400.272 4.409 20 0 HIADMN COc1ccccc1[C@H](NC(=O)NC[C@@H](C)N1CCc2ccccc2C1)c1ccco1 ZINC000425978281 856028782 /nfs/dbraw/zinc/02/87/82/856028782.db2.gz OSLUQPAPXMESOZ-KOSHJBKYSA-N 0 1 419.525 4.124 20 0 HIADMN CCN(CCNC(=O)N(C)[C@H](C)c1nc2ccccc2s1)CCC(F)(F)F ZINC000425982177 856029803 /nfs/dbraw/zinc/02/98/03/856029803.db2.gz VJIQRMNZARLCIH-CYBMUJFWSA-N 0 1 402.486 4.273 20 0 HIADMN O=C1CCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3Cl)cc21 ZINC000425985127 856031187 /nfs/dbraw/zinc/03/11/87/856031187.db2.gz OAIWKZOEZHWZDQ-UHFFFAOYSA-N 0 1 414.708 4.422 20 0 HIADMN CCN(CCNC(=O)NC1(c2cccc(Br)c2)CC1)CCC(F)(F)F ZINC000425993943 856035682 /nfs/dbraw/zinc/03/56/82/856035682.db2.gz NNRBWELZGYGIRB-UHFFFAOYSA-N 0 1 422.289 4.012 20 0 HIADMN CCN(CCNC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C)CCC(F)(F)F ZINC000426004290 856041915 /nfs/dbraw/zinc/04/19/15/856041915.db2.gz VEFWXBQIMLWOJA-YOEHRIQHSA-N 0 1 421.891 4.086 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)n[nH]1 ZINC000426004183 856042186 /nfs/dbraw/zinc/04/21/86/856042186.db2.gz NMHTVIYHJFSMIG-AFFXXPLOSA-N 0 1 400.526 4.246 20 0 HIADMN Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CCc2nc3cccc(C)c3[nH]2)cc1 ZINC000426022144 856052004 /nfs/dbraw/zinc/05/20/04/856052004.db2.gz NEWRDGMGPPIZDL-HXUWFJFHSA-N 0 1 407.514 4.312 20 0 HIADMN COc1ccc(Br)cc1CN(C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000426035678 856062434 /nfs/dbraw/zinc/06/24/34/856062434.db2.gz KGLFPAGLYOHXTQ-UHFFFAOYSA-N 0 1 416.319 4.234 20 0 HIADMN Cc1cccc2nc(CCC(=O)N[C@@H](C)Cc3ccc(Br)cc3)[nH]c21 ZINC000426090507 856101145 /nfs/dbraw/zinc/10/11/45/856101145.db2.gz SRLKNTPPKMPDMP-AWEZNQCLSA-N 0 1 400.320 4.314 20 0 HIADMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc(OCc3ccccn3)cc2)n[nH]1 ZINC000426109698 856113742 /nfs/dbraw/zinc/11/37/42/856113742.db2.gz CWLMOUDCCAPKER-FQEVSTJZSA-N 0 1 405.502 4.270 20 0 HIADMN CCN(CCNC(=O)N(CC)Cc1cccc(Br)c1)CCC(F)(F)F ZINC000426111358 856114772 /nfs/dbraw/zinc/11/47/72/856114772.db2.gz FVQBRUQEWRKCBG-UHFFFAOYSA-N 0 1 424.305 4.255 20 0 HIADMN CCc1c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)nnn1Cc1ccc(F)cc1 ZINC000426118000 856119282 /nfs/dbraw/zinc/11/92/82/856119282.db2.gz XIZYBVPGFPXZIH-UHFFFAOYSA-N 0 1 418.476 4.424 20 0 HIADMN Cc1c(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cccc1C(F)(F)F ZINC000426142976 856137091 /nfs/dbraw/zinc/13/70/91/856137091.db2.gz KIMHVOSOHUETLH-PXNSSMCTSA-N 0 1 421.463 4.018 20 0 HIADMN COc1cccc(Oc2ccc(CNC(=O)CCc3nc4cccc(C)c4[nH]3)cn2)c1 ZINC000426169363 856151681 /nfs/dbraw/zinc/15/16/81/856151681.db2.gz CECKINBJDQEOIX-UHFFFAOYSA-N 0 1 416.481 4.316 20 0 HIADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000426207754 856175789 /nfs/dbraw/zinc/17/57/89/856175789.db2.gz XTOZVDPUOOQVTO-UHFFFAOYSA-N 0 1 422.448 4.197 20 0 HIADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000426207754 856175799 /nfs/dbraw/zinc/17/57/99/856175799.db2.gz XTOZVDPUOOQVTO-UHFFFAOYSA-N 0 1 422.448 4.197 20 0 HIADMN COc1ccccc1[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccco1 ZINC000426224217 856187550 /nfs/dbraw/zinc/18/75/50/856187550.db2.gz GQDBGZHWEFAKCP-CVDCTZTESA-N 0 1 423.513 4.497 20 0 HIADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000426235922 856194282 /nfs/dbraw/zinc/19/42/82/856194282.db2.gz DMFYJMOADBWZLC-UXHICEINSA-N 0 1 405.970 4.268 20 0 HIADMN C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)CC1(O)CCCCCC1 ZINC000426245519 856198778 /nfs/dbraw/zinc/19/87/78/856198778.db2.gz VIMDDXQMYWEGCZ-SFHVURJKSA-N 0 1 415.559 4.036 20 0 HIADMN CN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)CC1(O)CCCCCC1 ZINC000426245519 856198784 /nfs/dbraw/zinc/19/87/84/856198784.db2.gz VIMDDXQMYWEGCZ-SFHVURJKSA-N 0 1 415.559 4.036 20 0 HIADMN O=C(CN1CCC[C@@H]1CCO)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000426247793 856200039 /nfs/dbraw/zinc/20/00/39/856200039.db2.gz HDQWBPNABPESPB-QGZVFWFLSA-N 0 1 419.319 4.027 20 0 HIADMN CC(C)c1nnc(CCN[C@@H](c2ccc(Br)cc2)c2cncnc2)s1 ZINC000426306915 856235806 /nfs/dbraw/zinc/23/58/06/856235806.db2.gz MOOJZBLBXXCQKN-KRWDZBQOSA-N 0 1 418.364 4.136 20 0 HIADMN COC(=O)c1nc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)sc1C(C)C ZINC000426382374 856268020 /nfs/dbraw/zinc/26/80/20/856268020.db2.gz ZYJFMIXDTFEAFL-HNNXBMFYSA-N 0 1 419.522 4.043 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3CCC[C@@H]3CCc3ccccc3)cs2)c1C ZINC000426388862 856270655 /nfs/dbraw/zinc/27/06/55/856270655.db2.gz JEPJAPOYSNYXEI-HXUWFJFHSA-N 0 1 408.571 4.118 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3cccc4[nH]ccc43)c2C1 ZINC000426500629 856322374 /nfs/dbraw/zinc/32/23/74/856322374.db2.gz VGFQHDWDWWFROS-QGZVFWFLSA-N 0 1 418.541 4.125 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000426606611 856370886 /nfs/dbraw/zinc/37/08/86/856370886.db2.gz ZIVAGTHZPIPLGK-AWEZNQCLSA-N 0 1 404.923 4.342 20 0 HIADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]Cc2nc(C(=O)[O-])cs2)cc1 ZINC000426668182 856403308 /nfs/dbraw/zinc/40/33/08/856403308.db2.gz DJSXXNSYTHKJLJ-UHFFFAOYSA-N 0 1 422.485 4.431 20 0 HIADMN Cc1nc(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000426670132 856405120 /nfs/dbraw/zinc/40/51/20/856405120.db2.gz CRLOCHPEBFCHAU-UHFFFAOYSA-N 0 1 409.227 4.221 20 0 HIADMN O=C([O-])c1coc(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000426687310 856412927 /nfs/dbraw/zinc/41/29/27/856412927.db2.gz JVMABCOXAOBTHX-UHFFFAOYSA-N 0 1 417.259 4.004 20 0 HIADMN COc1ccc(OCc2nc(C[NH2+][C@H](c3ccccc3)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000426723690 856435861 /nfs/dbraw/zinc/43/58/61/856435861.db2.gz ZWCWWNSXFBSUFW-BTYIYWSLSA-N 0 1 412.511 4.282 20 0 HIADMN O=C([O-])[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1c(F)cccc1F ZINC000426732622 856440644 /nfs/dbraw/zinc/44/06/44/856440644.db2.gz JEAFZMYPDWJGOL-AWEZNQCLSA-N 0 1 422.172 4.244 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1cnn(-c2ccccc2)c1 ZINC000426760925 856462395 /nfs/dbraw/zinc/46/23/95/856462395.db2.gz WAOSCGKGQQVUFN-SFHVURJKSA-N 0 1 410.524 4.363 20 0 HIADMN Cc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c(Br)c1 ZINC000426762155 856463844 /nfs/dbraw/zinc/46/38/44/856463844.db2.gz HUHUEMDGWQMZJI-IBGZPJMESA-N 0 1 414.303 4.249 20 0 HIADMN CC(=O)CC(C)(C)CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000426787001 856478171 /nfs/dbraw/zinc/47/81/71/856478171.db2.gz ZXTCQTGADMPBNY-UHFFFAOYSA-N 0 1 423.395 4.267 20 0 HIADMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)o1 ZINC000426801946 856486792 /nfs/dbraw/zinc/48/67/92/856486792.db2.gz WOGVVWFLQXLYRK-QGZVFWFLSA-N 0 1 418.291 4.150 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(Cl)c1 ZINC000426811112 856492264 /nfs/dbraw/zinc/49/22/64/856492264.db2.gz KVHOOEZKALKJSC-MRXNPFEDSA-N 0 1 409.248 4.019 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cccc(Br)c1 ZINC000426817383 856494885 /nfs/dbraw/zinc/49/48/85/856494885.db2.gz SFAIJERDOIBOOE-INIZCTEOSA-N 0 1 418.316 4.273 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000426842378 856508898 /nfs/dbraw/zinc/50/88/98/856508898.db2.gz YTSAAQZSEWVQJG-AWEZNQCLSA-N 0 1 423.380 4.458 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(F)cc3I)[nH]c21 ZINC000426850104 856511872 /nfs/dbraw/zinc/51/18/72/856511872.db2.gz HJJSWUAYFHKANI-UHFFFAOYSA-N 0 1 423.229 4.186 20 0 HIADMN CN(CCCOc1ccc2c(c1)OCO2)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426870995 856520612 /nfs/dbraw/zinc/52/06/12/856520612.db2.gz IAWBTMIBLONHNY-QFIPXVFZSA-N 0 1 411.889 4.349 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C)cc3Cl)CC2)c1C ZINC000426928213 856546740 /nfs/dbraw/zinc/54/67/40/856546740.db2.gz XTNDVNPLUKQFEQ-UHFFFAOYSA-N 0 1 415.965 4.405 20 0 HIADMN CCCN(CCc1cccc(F)c1)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000426994456 856585249 /nfs/dbraw/zinc/58/52/49/856585249.db2.gz HFCICQVGYIWQAM-UHFFFAOYSA-N 0 1 414.550 4.114 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccccc3C)n[nH]2)c(C)c1 ZINC000427105962 856640967 /nfs/dbraw/zinc/64/09/67/856640967.db2.gz BUFBSFCFMHJDAT-NRFANRHFSA-N 0 1 420.538 4.156 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3cc(-c4ccccc4C)nn3CCO)[nH]n2)c(C)c1 ZINC000427128001 856656434 /nfs/dbraw/zinc/65/64/34/856656434.db2.gz IVEGWKCYUOWUIE-UHFFFAOYSA-N 0 1 415.497 4.110 20 0 HIADMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1noc(Cc2ccccc2)n1 ZINC000427131939 856658464 /nfs/dbraw/zinc/65/84/64/856658464.db2.gz XDGBFCQHAMFXCN-LLVKDONJSA-N 0 1 413.890 4.256 20 0 HIADMN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427140295 856665127 /nfs/dbraw/zinc/66/51/27/856665127.db2.gz PLTADGAGGZGIJH-SNVBAGLBSA-N 0 1 408.861 4.079 20 0 HIADMN O=C(NCc1nccn1CCc1ccccc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427152494 856672099 /nfs/dbraw/zinc/67/20/99/856672099.db2.gz KBZXLMFYBBOFSM-UHFFFAOYSA-N 0 1 411.918 4.161 20 0 HIADMN CCN(CCNC(=O)c1occc1CN1c2ccccc2C[C@H]1C)CCC(F)(F)F ZINC000427202112 856709596 /nfs/dbraw/zinc/70/95/96/856709596.db2.gz DYOLZMKMGRQKIL-MRXNPFEDSA-N 0 1 423.479 4.235 20 0 HIADMN CCN(CCNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)CCC(F)(F)F ZINC000427220532 856720443 /nfs/dbraw/zinc/72/04/43/856720443.db2.gz VAFVQOSPHXRULJ-UHFFFAOYSA-N 0 1 413.488 4.140 20 0 HIADMN CCN(CCNC(=O)[C@@H](C)Cc1ccc(Br)cc1)CCC(F)(F)F ZINC000427222658 856721242 /nfs/dbraw/zinc/72/12/42/856721242.db2.gz BABRPDIJQFYVMU-ZDUSSCGKSA-N 0 1 409.290 4.018 20 0 HIADMN CCN(CCNC(=O)c1ccc(-n2cnc3ccccc32)cc1)CCC(F)(F)F ZINC000427241447 856731559 /nfs/dbraw/zinc/73/15/59/856731559.db2.gz CBSNBBFWCXBDBF-UHFFFAOYSA-N 0 1 404.436 4.030 20 0 HIADMN CCN(CCNC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C)CCC(F)(F)F ZINC000427250351 856735538 /nfs/dbraw/zinc/73/55/38/856735538.db2.gz OIQJHAOKVQEASZ-UHFFFAOYSA-N 0 1 414.447 4.139 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)cc1OC ZINC000427292618 856755939 /nfs/dbraw/zinc/75/59/39/856755939.db2.gz SAEJEBHIYSYVNY-UHFFFAOYSA-N 0 1 408.863 4.121 20 0 HIADMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)c1 ZINC000427301312 856759669 /nfs/dbraw/zinc/75/96/69/856759669.db2.gz IVQMNTGUZRFHSX-UHFFFAOYSA-N 0 1 416.282 4.174 20 0 HIADMN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000427440899 856820893 /nfs/dbraw/zinc/82/08/93/856820893.db2.gz GMNMOQZPTUEEHL-UHFFFAOYSA-N 0 1 418.497 4.354 20 0 HIADMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccccc1CSc1nc2ccccc2o1 ZINC000427505266 856844544 /nfs/dbraw/zinc/84/45/44/856844544.db2.gz HRKNGUFPKHJEDX-HNNXBMFYSA-N 0 1 404.495 4.131 20 0 HIADMN O=C1[C@@H](N[C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCN1c1ccccc1F ZINC000427522845 856848320 /nfs/dbraw/zinc/84/83/20/856848320.db2.gz DOYGJYDMQLFQSZ-ROUUACIJSA-N 0 1 407.411 4.402 20 0 HIADMN Cc1cccc([C@H](CN[C@@H](C)c2ncc(Br)cc2F)N2CCOCC2)c1 ZINC000427590079 856880535 /nfs/dbraw/zinc/88/05/35/856880535.db2.gz WSBOVUGQDATAJW-KXBFYZLASA-N 0 1 422.342 4.016 20 0 HIADMN Cc1cc2c(cc1C)[C@H](NCc1ccccc1OCCN1CCOCC1)CCS2 ZINC000427600887 856884270 /nfs/dbraw/zinc/88/42/70/856884270.db2.gz WCIOYKHJRCHICN-JOCHJYFZSA-N 0 1 412.599 4.341 20 0 HIADMN Cc1ccc([C@@H](CN2CCOCC2)N[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000427607496 856886432 /nfs/dbraw/zinc/88/64/32/856886432.db2.gz BVCVTVQNHGAXON-FCHUYYIVSA-N 0 1 419.491 4.449 20 0 HIADMN COc1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc2cccnc21 ZINC000427642639 856895038 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C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1OCCc2sccc21 ZINC000427814644 856967450 /nfs/dbraw/zinc/96/74/50/856967450.db2.gz CMIBSTJFJRWRBG-GEWABHDNSA-N 0 1 411.354 4.452 20 0 HIADMN COc1ccc(C)cc1NC(=O)[C@H](NCCc1nnc(C(C)C)s1)c1ccccc1 ZINC000427822094 856970028 /nfs/dbraw/zinc/97/00/28/856970028.db2.gz CADZKKZJNOTCBE-OAQYLSRUSA-N 0 1 424.570 4.491 20 0 HIADMN COc1cc(Br)ccc1CN[C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000427848342 856979763 /nfs/dbraw/zinc/97/97/63/856979763.db2.gz LMKAXZKPZCXKNT-IBGZPJMESA-N 0 1 403.320 4.041 20 0 HIADMN COc1cccc(NC(=O)[C@@H](NCCc2nnc(C(C)C)s2)c2ccccc2)c1 ZINC000427863581 856986003 /nfs/dbraw/zinc/98/60/03/856986003.db2.gz JUPMVKSKBQTEIJ-FQEVSTJZSA-N 0 1 410.543 4.182 20 0 HIADMN C[C@@H](NCc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000427875154 856990030 /nfs/dbraw/zinc/99/00/30/856990030.db2.gz JQBOOKCWXWXTFX-CQSZACIVSA-N 0 1 422.909 4.401 20 0 HIADMN C[C@H](CC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)NC(=O)C1CCCC1 ZINC000437515030 862861513 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421.472 4.355 20 0 HIADMN COCCOCc1ccc(CNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)cc1 ZINC000428280706 857140171 /nfs/dbraw/zinc/14/01/71/857140171.db2.gz ORBVXQGWDPWMCH-UHFFFAOYSA-N 0 1 421.522 4.384 20 0 HIADMN COc1ccc(NC(=O)C2(NCc3cc(F)c(F)c(F)c3)CCCC2)cc1OC ZINC000428370693 857180452 /nfs/dbraw/zinc/18/04/52/857180452.db2.gz BECUYDPMTXEJIQ-UHFFFAOYSA-N 0 1 408.420 4.162 20 0 HIADMN CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437554685 862882772 /nfs/dbraw/zinc/88/27/72/862882772.db2.gz GWBJHQALHGDAID-FQEVSTJZSA-N 0 1 417.513 4.258 20 0 HIADMN CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000437554685 862882773 /nfs/dbraw/zinc/88/27/73/862882773.db2.gz GWBJHQALHGDAID-FQEVSTJZSA-N 0 1 417.513 4.258 20 0 HIADMN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000437554686 862882916 /nfs/dbraw/zinc/88/29/16/862882916.db2.gz GWBJHQALHGDAID-HXUWFJFHSA-N 0 1 417.513 4.258 20 0 HIADMN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 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407.436 4.046 20 0 HIADMN Cc1cccc(NC(=O)CN2CCN(CCCCCOc3ccccc3)CC2)c1C ZINC000437576181 862895231 /nfs/dbraw/zinc/89/52/31/862895231.db2.gz HMEOGMRGZVGFSJ-UHFFFAOYSA-N 0 1 409.574 4.109 20 0 HIADMN C[C@]12CCN(CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)C[C@H]1C2(F)F ZINC000428717745 857309413 /nfs/dbraw/zinc/30/94/13/857309413.db2.gz DCQRDWXEXYKBGY-AEFFLSMTSA-N 0 1 402.407 4.174 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CC[C@]4(C)[C@H](C3)C4(F)F)ccc2c1 ZINC000428743272 857315504 /nfs/dbraw/zinc/31/55/04/857315504.db2.gz JQFPPMSJMYSWIT-GJULWVSJSA-N 0 1 402.485 4.172 20 0 HIADMN CN(C(=O)CN1CC[C@]2(C)[C@H](C1)C2(F)F)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000428752845 857319723 /nfs/dbraw/zinc/31/97/23/857319723.db2.gz ZIBPCIUAWALFCY-KSEOMHKRSA-N 0 1 402.460 4.351 20 0 HIADMN CCC(C)(C)OCc1cccc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1C ZINC000428771997 857329438 /nfs/dbraw/zinc/32/94/38/857329438.db2.gz JVCMIMWHLQPBCA-QFIPXVFZSA-N 0 1 418.626 4.094 20 0 HIADMN O=C(NCC1CC1)[C@@H]1CCCN([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000428776884 857332288 /nfs/dbraw/zinc/33/22/88/857332288.db2.gz GLCIOQQGPCQGCA-YADHBBJMSA-N 0 1 416.525 4.064 20 0 HIADMN O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000428790273 857340253 /nfs/dbraw/zinc/34/02/53/857340253.db2.gz WMZWVBOMZGMBED-UHFFFAOYSA-N 0 1 405.542 4.378 20 0 HIADMN O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCCN(CCCc2ccccc2)CC1 ZINC000428790273 857340262 /nfs/dbraw/zinc/34/02/62/857340262.db2.gz WMZWVBOMZGMBED-UHFFFAOYSA-N 0 1 405.542 4.378 20 0 HIADMN CCCCn1ncc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1CC ZINC000428805846 857351784 /nfs/dbraw/zinc/35/17/84/857351784.db2.gz AIBXBEYNZAFTBD-IERDGZPVSA-N 0 1 420.960 4.461 20 0 HIADMN CCCCn1ncc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1CC ZINC000428805837 857352159 /nfs/dbraw/zinc/35/21/59/857352159.db2.gz AIBXBEYNZAFTBD-HRAATJIYSA-N 0 1 420.960 4.461 20 0 HIADMN Cc1cc(C)c(NC(=O)[C@H](C)N[C@H](CO)c2ccc(Br)cc2)c(C)c1 ZINC000428806511 857353226 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Cc1cc(CN(C)C(=O)CCc2nc[nH]n2)cc(C)c1OCc1ccccc1Cl ZINC000429102467 857510116 /nfs/dbraw/zinc/51/01/16/857510116.db2.gz JBERGWMISAIGQU-UHFFFAOYSA-N 0 1 412.921 4.245 20 0 HIADMN C[C@@H](NCc1nc2ccc(Br)cc2n1C)[C@H]1OCCc2sccc21 ZINC000429129326 857524537 /nfs/dbraw/zinc/52/45/37/857524537.db2.gz DVEQFXJUCYIYCP-ADLMAVQZSA-N 0 1 406.349 4.189 20 0 HIADMN CC(=O)c1cccc(OC[C@@H](O)CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429131338 857525329 /nfs/dbraw/zinc/52/53/29/857525329.db2.gz UCWXIMCLKKTZEU-GHTZIAJQSA-N 0 1 405.947 4.149 20 0 HIADMN COc1ccc(CN[C@@H](C)[C@@H]2OCCc3sccc32)c(Br)c1OC ZINC000429152126 857532417 /nfs/dbraw/zinc/53/24/17/857532417.db2.gz QQQJBQDKFFFXIP-GTNSWQLSSA-N 0 1 412.349 4.320 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1OCCc2sccc21 ZINC000429159095 857534995 /nfs/dbraw/zinc/53/49/95/857534995.db2.gz DXKXNZGGMFGCSL-QKKBWIMNSA-N 0 1 414.527 4.020 20 0 HIADMN Cc1cc(NC(=O)CN[C@H](C)[C@@H]2OCCc3sccc32)ccc1Br ZINC000429169769 857539493 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Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)n2)cc1 ZINC000438689331 864154952 /nfs/dbraw/zinc/15/49/52/864154952.db2.gz BTSFCVGJGNTXIL-ICSRJNTNSA-N 0 1 406.555 4.400 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(F)cc1OC(F)F ZINC000438691385 864159244 /nfs/dbraw/zinc/15/92/44/864159244.db2.gz IHKUXYSLQHAPJV-UHFFFAOYSA-N 0 1 408.424 4.131 20 0 HIADMN CCOCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000438722884 864205208 /nfs/dbraw/zinc/20/52/08/864205208.db2.gz MFJPPYPIOXJMJW-UHFFFAOYSA-N 0 1 404.713 4.440 20 0 HIADMN O=S(=O)(Nc1cccc(Oc2ccccn2)c1)c1ccccc1Br ZINC000438728516 864212048 /nfs/dbraw/zinc/21/20/48/864212048.db2.gz UMCSXXNFHBCGAR-UHFFFAOYSA-N 0 1 405.273 4.437 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c(Cl)c1 ZINC000438764219 864259519 /nfs/dbraw/zinc/25/95/19/864259519.db2.gz OAFFKOWYTOVZAV-UHFFFAOYSA-N 0 1 407.797 4.032 20 0 HIADMN COc1ccc(Br)cc1CN(C)CCC(=O)Nc1cccc(F)c1C ZINC000438786201 864280079 /nfs/dbraw/zinc/28/00/79/864280079.db2.gz XYSIGMWVNNZQBW-UHFFFAOYSA-N 0 1 409.299 4.366 20 0 HIADMN COCCOc1ccccc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000438807886 864299494 /nfs/dbraw/zinc/29/94/94/864299494.db2.gz FLHMDOWHVFYGCI-UHFFFAOYSA-N 0 1 420.556 4.420 20 0 HIADMN COc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c(OCc2ccccc2)c1 ZINC000438815618 864306686 /nfs/dbraw/zinc/30/66/86/864306686.db2.gz WCIGELABKOYSKU-UHFFFAOYSA-N 0 1 411.479 4.278 20 0 HIADMN C[C@H](NC(=O)N[C@H]1CCCc2sccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000467890170 881751607 /nfs/dbraw/zinc/75/16/07/881751607.db2.gz SLLNTBXKTUBXIZ-KXBFYZLASA-N 0 1 416.566 4.077 20 0 HIADMN C[C@@H]1CCCN1C(=O)CCN1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000438837995 864331444 /nfs/dbraw/zinc/33/14/44/864331444.db2.gz JMVFMIKMGJWNSA-GOSISDBHSA-N 0 1 415.578 4.073 20 0 HIADMN C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)Oc1cccc(Cl)c1 ZINC000438840514 864333566 /nfs/dbraw/zinc/33/35/66/864333566.db2.gz NCYMNTCEFSZVDT-SJORKVTESA-N 0 1 416.953 4.027 20 0 HIADMN Cc1ccc(C(=O)NCC2CC2)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000438848452 864344057 /nfs/dbraw/zinc/34/40/57/864344057.db2.gz BMGKYARIQLHFGK-UHFFFAOYSA-N 0 1 413.326 4.242 20 0 HIADMN C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)Oc1ccc(Cl)cc1 ZINC000438859930 864353405 /nfs/dbraw/zinc/35/34/05/864353405.db2.gz GDRDDPPMGNMOFN-SJORKVTESA-N 0 1 416.953 4.027 20 0 HIADMN C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)Oc1ccc(Cl)cc1 ZINC000438859929 864353513 /nfs/dbraw/zinc/35/35/13/864353513.db2.gz GDRDDPPMGNMOFN-IAGOWNOFSA-N 0 1 416.953 4.027 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)c2C)o1 ZINC000438885491 864370122 /nfs/dbraw/zinc/37/01/22/864370122.db2.gz LOVATFCWMKWPOJ-UHFFFAOYSA-N 0 1 417.347 4.608 20 0 HIADMN CC[C@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000438897367 864379373 /nfs/dbraw/zinc/37/93/73/864379373.db2.gz FHVGFAOLQAOOLS-FQEVSTJZSA-N 0 1 405.464 4.375 20 0 HIADMN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000438919247 864398372 /nfs/dbraw/zinc/39/83/72/864398372.db2.gz JBUFNAFCSKBKRB-UHFFFAOYSA-N 0 1 408.889 4.431 20 0 HIADMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000438923923 864403136 /nfs/dbraw/zinc/40/31/36/864403136.db2.gz VJAXXEQCAKQNRK-KBPBESRZSA-N 0 1 405.951 4.143 20 0 HIADMN COc1ccc([C@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000438959703 864428415 /nfs/dbraw/zinc/42/84/15/864428415.db2.gz MPVUMZOOBHPVBP-GAJHUEQPSA-N 0 1 408.546 4.066 20 0 HIADMN Cc1ccc(OCCCCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438965887 864432513 /nfs/dbraw/zinc/43/25/13/864432513.db2.gz KBPITXLGLOKXRF-FQEVSTJZSA-N 0 1 410.562 4.074 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000438973606 864438647 /nfs/dbraw/zinc/43/86/47/864438647.db2.gz LCKGFIQYMXNPAS-JKSUJKDBSA-N 0 1 418.488 4.269 20 0 HIADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000439012589 864463588 /nfs/dbraw/zinc/46/35/88/864463588.db2.gz UYVXTSCOCRBOTL-GOSISDBHSA-N 0 1 405.458 4.478 20 0 HIADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000439011848 864463746 /nfs/dbraw/zinc/46/37/46/864463746.db2.gz RUMXNHXVXWHFED-UHFFFAOYSA-N 0 1 403.829 4.003 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000439024384 864478982 /nfs/dbraw/zinc/47/89/82/864478982.db2.gz YADNOFGMCUNOJM-UQOODKLHSA-N 0 1 408.970 4.247 20 0 HIADMN CC(C)c1c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000439024715 864479028 /nfs/dbraw/zinc/47/90/28/864479028.db2.gz ZNEAXZIVLMYTAQ-UHFFFAOYSA-N 0 1 407.865 4.082 20 0 HIADMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1cc(C)nc(-c2ccncc2)n1 ZINC000439076138 864526871 /nfs/dbraw/zinc/52/68/71/864526871.db2.gz IFENPWXWRAJFAN-MBSDFSHPSA-N 0 1 416.573 4.287 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@H](C)NCc1ccnc(OCc2ccccc2)c1 ZINC000439080840 864529745 /nfs/dbraw/zinc/52/97/45/864529745.db2.gz WHTHXDZSEQZGTI-KRWDZBQOSA-N 0 1 405.498 4.478 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ncc(Cc3ccccc3)s2)CC1 ZINC000439086066 864533414 /nfs/dbraw/zinc/53/34/14/864533414.db2.gz PDTHBRRPGXTVGX-KRWDZBQOSA-N 0 1 421.570 4.476 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@H](C)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000439085768 864533494 /nfs/dbraw/zinc/53/34/94/864533494.db2.gz KSQILAQHHOWIJW-CABCVRRESA-N 0 1 410.518 4.349 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439089443 864535767 /nfs/dbraw/zinc/53/57/67/864535767.db2.gz UUWYZNRNDHJPPY-GOSISDBHSA-N 0 1 418.545 4.231 20 0 HIADMN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000439112750 864549955 /nfs/dbraw/zinc/54/99/55/864549955.db2.gz YYEDCJSLXVEVLJ-KBPBESRZSA-N 0 1 417.332 4.024 20 0 HIADMN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000439112750 864549964 /nfs/dbraw/zinc/54/99/64/864549964.db2.gz YYEDCJSLXVEVLJ-KBPBESRZSA-N 0 1 417.332 4.024 20 0 HIADMN CO[C@@H](C)c1nc(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cs1 ZINC000439177278 864605928 /nfs/dbraw/zinc/60/59/28/864605928.db2.gz KSLKCYYSXHXEMW-KBXCAEBGSA-N 0 1 422.982 4.140 20 0 HIADMN COc1ccccc1[C@H]1CCCN1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439198309 864622993 /nfs/dbraw/zinc/62/29/93/864622993.db2.gz CGOSTXCLYKLCSS-PGRDOPGGSA-N 0 1 408.546 4.162 20 0 HIADMN COc1cccc(C2=CCN(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)CC2)c1 ZINC000439199736 864624831 /nfs/dbraw/zinc/62/48/31/864624831.db2.gz NEHVBJBHCVQOLZ-LJQANCHMSA-N 0 1 420.557 4.115 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000439202552 864626062 /nfs/dbraw/zinc/62/60/62/864626062.db2.gz UGVLWRCEHORSDP-OAHLLOKOSA-N 0 1 404.917 4.241 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000439209826 864633164 /nfs/dbraw/zinc/63/31/64/864633164.db2.gz NZBJMAFTZSWANR-SFHVURJKSA-N 0 1 410.537 4.368 20 0 HIADMN CCc1nc(C)c([C@@H](C)N(C)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)s1 ZINC000439214674 864634241 /nfs/dbraw/zinc/63/42/41/864634241.db2.gz ONHSZFPZKGAAEU-IAGOWNOFSA-N 0 1 415.607 4.337 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2nc3ccccc3s2)CC1 ZINC000439212648 864634257 /nfs/dbraw/zinc/63/42/57/864634257.db2.gz TUCFLBFVDRUQNK-INIZCTEOSA-N 0 1 409.559 4.058 20 0 HIADMN CCc1nc(C)c([C@H](C)N(C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 ZINC000439214675 864634618 /nfs/dbraw/zinc/63/46/18/864634618.db2.gz ONHSZFPZKGAAEU-IRXDYDNUSA-N 0 1 415.607 4.337 20 0 HIADMN O=C(CN1CCC([C@H]2CCCO2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000439275484 864696162 /nfs/dbraw/zinc/69/61/62/864696162.db2.gz RQNHWBAQKUFAEK-ISKFKSNPSA-N 0 1 412.961 4.437 20 0 HIADMN CC[C@@](C)(O)CN(CC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000439284666 864703848 /nfs/dbraw/zinc/70/38/48/864703848.db2.gz ZOSDPNFKMANZOK-HXUWFJFHSA-N 0 1 405.336 4.051 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(O)c2C)cc1 ZINC000439293059 864717184 /nfs/dbraw/zinc/71/71/84/864717184.db2.gz BLZCHTZKDDTKRA-UHFFFAOYSA-N 0 1 410.495 4.371 20 0 HIADMN Cc1ccc(Br)cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439302245 864729348 /nfs/dbraw/zinc/72/93/48/864729348.db2.gz ZBMCTLCGBDHQFJ-HNNXBMFYSA-N 0 1 417.351 4.500 20 0 HIADMN CCCC(=O)Nc1cccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000439309342 864739677 /nfs/dbraw/zinc/73/96/77/864739677.db2.gz GEEMCJMYANKILU-QGZVFWFLSA-N 0 1 409.534 4.167 20 0 HIADMN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439312881 864745423 /nfs/dbraw/zinc/74/54/23/864745423.db2.gz GOEMYFIIBRNRNO-SFHVURJKSA-N 0 1 423.561 4.332 20 0 HIADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1C[C@]12CCc1ccccc12 ZINC000439392552 864817023 /nfs/dbraw/zinc/81/70/23/864817023.db2.gz NBWWCCBEOQRKHF-LSWJPFSZSA-N 0 1 414.471 4.300 20 0 HIADMN FC(F)(F)c1csc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)n1 ZINC000439425090 864827765 /nfs/dbraw/zinc/82/77/65/864827765.db2.gz SRCBNXCJOLHVIB-GFCCVEGCSA-N 0 1 407.343 4.178 20 0 HIADMN Fc1ccccc1-c1cnc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)o1 ZINC000439427382 864828675 /nfs/dbraw/zinc/82/86/75/864828675.db2.gz DCLCJJASLVLQNO-SFHVURJKSA-N 0 1 417.366 4.497 20 0 HIADMN O=C(Nc1ccc(F)cc1)[C@H](N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000439448014 864834965 /nfs/dbraw/zinc/83/49/65/864834965.db2.gz GSAOXIVSJRRQDU-NHCUHLMSSA-N 0 1 401.445 4.003 20 0 HIADMN Fc1ccc(-c2cc(CN[C@@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)on2)cc1 ZINC000439451491 864836479 /nfs/dbraw/zinc/83/64/79/864836479.db2.gz MFFNDBCFMNMXID-GOSISDBHSA-N 0 1 417.366 4.497 20 0 HIADMN Cc1ccc(C)c(NC(=O)[C@H](N[C@H](c2nnc[nH]2)c2ccccc2)c2ccccc2)c1 ZINC000439455810 864838400 /nfs/dbraw/zinc/83/84/00/864838400.db2.gz VWDVCVNGXPSWML-XZOQPEGZSA-N 0 1 411.509 4.481 20 0 HIADMN COC(=O)[C@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000439460319 864840008 /nfs/dbraw/zinc/84/00/08/864840008.db2.gz XUEGUIRMQVLWQR-JKSUJKDBSA-N 0 1 424.810 4.070 20 0 HIADMN O=C(NCCNCc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000439474020 864844909 /nfs/dbraw/zinc/84/49/09/864844909.db2.gz WQFMFRFJKCYNFE-IBGZPJMESA-N 0 1 423.340 4.071 20 0 HIADMN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc(SC)cc2)cc1OC ZINC000439478415 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HIADMN Cc1c2ccc(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2nn1C ZINC000464064495 877209345 /nfs/dbraw/zinc/20/93/45/877209345.db2.gz FVZIDLZSJIRGAJ-UHFFFAOYSA-N 0 1 411.937 4.321 20 0 HIADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1csc(Cc2ccccc2F)n1 ZINC000464193415 877363255 /nfs/dbraw/zinc/36/32/55/877363255.db2.gz IKWKOMZCFURVCN-UHFFFAOYSA-N 0 1 410.474 4.045 20 0 HIADMN O=C(CCNC(=O)c1n[nH]c2ccccc21)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000464208602 877377911 /nfs/dbraw/zinc/37/79/11/877377911.db2.gz CZNUPIDBQNIFQR-HSZRJFAPSA-N 0 1 424.504 4.009 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)n[nH]1 ZINC000464218673 877388544 /nfs/dbraw/zinc/38/85/44/877388544.db2.gz ZEUFVHYXNAOMTI-HSZRJFAPSA-N 0 1 411.509 4.367 20 0 HIADMN O=c1ccccn1C[C@@H](NCc1cc(F)cc(Br)c1)c1ccccc1 ZINC000503264287 912245721 /nfs/dbraw/zinc/24/57/21/912245721.db2.gz ZGPHINQURKXGFP-LJQANCHMSA-N 0 1 401.279 4.281 20 0 HIADMN COCCOCc1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000464484895 877704459 /nfs/dbraw/zinc/70/44/59/877704459.db2.gz HZAGYEGJFWILMZ-JOCHJYFZSA-N 0 1 422.529 4.081 20 0 HIADMN CCc1sc(NC(=O)c2cccc(-c3nnc[nH]3)c2)nc1-c1ccc(OC)cc1 ZINC000503286324 912268386 /nfs/dbraw/zinc/26/83/86/912268386.db2.gz WWTVYWIGMOYAGT-UHFFFAOYSA-N 0 1 405.483 4.419 20 0 HIADMN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000503287460 912268488 /nfs/dbraw/zinc/26/84/88/912268488.db2.gz CSUYDBHVVDTKOG-UHFFFAOYSA-N 0 1 409.877 4.004 20 0 HIADMN COc1cc(CN[C@@H](CO)c2ccc(Br)cc2)c(SC)cc1OC ZINC000503289506 912271716 /nfs/dbraw/zinc/27/17/16/912271716.db2.gz HIFNMFOJBPLXOV-HNNXBMFYSA-N 0 1 412.349 4.011 20 0 HIADMN Cc1c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cnn1-c1cccc(C)c1 ZINC000464569443 877789031 /nfs/dbraw/zinc/78/90/31/877789031.db2.gz JJLCFBNFHNNNHX-UHFFFAOYSA-N 0 1 410.275 4.380 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000464576443 877799920 /nfs/dbraw/zinc/79/99/20/877799920.db2.gz KNESULYOZLLYRV-UHFFFAOYSA-N 0 1 416.666 4.417 20 0 HIADMN CCCN(CCc1cccs1)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000464587022 877812590 /nfs/dbraw/zinc/81/25/90/877812590.db2.gz LVNGSKNQKQHNHM-UHFFFAOYSA-N 0 1 402.589 4.037 20 0 HIADMN CC[C@]1(C)CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1 ZINC000464601167 877830492 /nfs/dbraw/zinc/83/04/92/877830492.db2.gz JXCZWSLFIOYIIP-JOCHJYFZSA-N 0 1 416.543 4.148 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1Br ZINC000464602360 877831637 /nfs/dbraw/zinc/83/16/37/877831637.db2.gz QCHXKTUJDDHSJX-TZMCWYRMSA-N 0 1 407.356 4.387 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000464604114 877833018 /nfs/dbraw/zinc/83/30/18/877833018.db2.gz CEONHCAWOKDZBU-KUHUBIRLSA-N 0 1 420.504 4.394 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000464604183 877833351 /nfs/dbraw/zinc/83/33/51/877833351.db2.gz DGPRQJRHLDBGPQ-JSGCOSHPSA-N 0 1 407.356 4.387 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000464604361 877833405 /nfs/dbraw/zinc/83/34/05/877833405.db2.gz XEVKVANEAOTRBW-DZGCQCFKSA-N 0 1 408.949 4.437 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3cc(Cl)ccn3n2)c1 ZINC000464651975 877872246 /nfs/dbraw/zinc/87/22/46/877872246.db2.gz UGDCJDFZZPWFRJ-UHFFFAOYSA-N 0 1 405.889 4.267 20 0 HIADMN O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1cccc(-c2nnc[nH]2)c1 ZINC000503307380 912290164 /nfs/dbraw/zinc/29/01/64/912290164.db2.gz DMDQYOLFSRKJDW-UHFFFAOYSA-N 0 1 413.409 4.449 20 0 HIADMN CCOc1ccc([C@@H](C)NC(=O)c2cc(Br)cc3nc[nH]c32)cc1OC ZINC000503312261 912293647 /nfs/dbraw/zinc/29/36/47/912293647.db2.gz OPANKORLYNDKIY-LLVKDONJSA-N 0 1 418.291 4.224 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccccc2Br)C1 ZINC000464726600 877959561 /nfs/dbraw/zinc/95/95/61/877959561.db2.gz ASTFAYBRGURLNO-OAHLLOKOSA-N 0 1 421.301 4.462 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2OC)C1 ZINC000464731813 877967840 /nfs/dbraw/zinc/96/78/40/877967840.db2.gz GBKNEQQTMGVMAS-CQSZACIVSA-N 0 1 406.876 4.362 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000464739305 877974314 /nfs/dbraw/zinc/97/43/14/877974314.db2.gz VCCKSUHOEAGIHQ-OAHLLOKOSA-N 0 1 421.301 4.462 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000464738978 877974385 /nfs/dbraw/zinc/97/43/85/877974385.db2.gz IZPQMKIMGJNUPZ-NVXWUHKLSA-N 0 1 424.467 4.311 20 0 HIADMN Cc1nsc(N2CCCN([C@H](C)c3cccc(NC(=O)c4ccccc4)c3)CC2)n1 ZINC000464760692 878000502 /nfs/dbraw/zinc/00/05/02/878000502.db2.gz JKBLKNKOXKRCTK-QGZVFWFLSA-N 0 1 421.570 4.372 20 0 HIADMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000464772405 878014882 /nfs/dbraw/zinc/01/48/82/878014882.db2.gz MRGSJWZCYOQUDT-DLBZAZTESA-N 0 1 406.983 4.129 20 0 HIADMN CCc1ccccc1NC(=O)CNC(=O)CN1CCCC[C@@H]1c1cccc(C)c1C ZINC000464779944 878022992 /nfs/dbraw/zinc/02/29/92/878022992.db2.gz QISGYEHQZCJMQN-HSZRJFAPSA-N 0 1 407.558 4.148 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](CSc3ccccc3)C2)c(OC)c1 ZINC000464779524 878025798 /nfs/dbraw/zinc/02/57/98/878025798.db2.gz XEWOOTOOKLYODI-SJORKVTESA-N 0 1 400.544 4.145 20 0 HIADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC(OCC3CC3)CC2)cc1 ZINC000464825783 878079577 /nfs/dbraw/zinc/07/95/77/878079577.db2.gz XTVGTJQTYRWQNR-QHCPKHFHSA-N 0 1 400.563 4.030 20 0 HIADMN CCSCC[C@@H](C)N(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000464846794 878119600 /nfs/dbraw/zinc/11/96/00/878119600.db2.gz CBKFGMKCKLLWGX-NVXWUHKLSA-N 0 1 405.589 4.482 20 0 HIADMN Cn1ncc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1C(F)(F)F ZINC000464864385 878143990 /nfs/dbraw/zinc/14/39/90/878143990.db2.gz LRMLYGCJHMKFFV-CYBMUJFWSA-N 0 1 409.387 4.008 20 0 HIADMN Cc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000503343106 912320100 /nfs/dbraw/zinc/32/01/00/912320100.db2.gz WIBOBQFJCFMHQZ-UHFFFAOYSA-N 0 1 420.944 4.454 20 0 HIADMN COC(=O)[C@H](C)[C@@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000464870546 878157815 /nfs/dbraw/zinc/15/78/15/878157815.db2.gz HAFNUYMDELEIOI-SAHWJRBASA-N 0 1 408.498 4.092 20 0 HIADMN COC(=O)[C@H](C)[C@@H](NCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1ccccc1 ZINC000464881124 878173062 /nfs/dbraw/zinc/17/30/62/878173062.db2.gz RBFPUDCXEOONPK-CDHQVMDDSA-N 0 1 402.560 4.092 20 0 HIADMN COc1ccccc1N1CC[C@@H](Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C1=O ZINC000464889255 878189574 /nfs/dbraw/zinc/18/95/74/878189574.db2.gz GFGBEOKBTWAEIR-MRXNPFEDSA-N 0 1 400.891 4.031 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1 ZINC000464936779 878268343 /nfs/dbraw/zinc/26/83/43/878268343.db2.gz CXEXWEGUSTYNEF-BTHPGYMESA-N 0 1 423.557 4.296 20 0 HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3cccc(-c4nnc[nH]4)c3)s2)cc1 ZINC000503358386 912331489 /nfs/dbraw/zinc/33/14/89/912331489.db2.gz MFOGIFPHIAJWRS-CYBMUJFWSA-N 0 1 419.510 4.403 20 0 HIADMN CCc1cccc2c(C(=O)[C@H](NCCCO[C@@H]3CCOC3)c3ccccc3)c[nH]c21 ZINC000464986379 878335457 /nfs/dbraw/zinc/33/54/57/878335457.db2.gz RUHLUDVZZYJSHK-HYBUGGRVSA-N 0 1 406.526 4.440 20 0 HIADMN C[C@H](CCOc1ccccc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000465038609 878401083 /nfs/dbraw/zinc/40/10/83/878401083.db2.gz UXFBBPNAYAIOCV-NJYVYQBISA-N 0 1 410.558 4.017 20 0 HIADMN CCO[C@H](CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)C1=CCCC1 ZINC000465055823 878417965 /nfs/dbraw/zinc/41/79/65/878417965.db2.gz IKEZHLXWXCHQIC-DHIUTWEWSA-N 0 1 400.563 4.244 20 0 HIADMN C[C@H]1C[C@]1(NCC(=O)Nc1ccnn1Cc1cccs1)c1ccc(Cl)cc1 ZINC000503368755 912345678 /nfs/dbraw/zinc/34/56/78/912345678.db2.gz OCUNHGGLYTUEAB-VBKZILBWSA-N 0 1 400.935 4.110 20 0 HIADMN CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000503368801 912345905 /nfs/dbraw/zinc/34/59/05/912345905.db2.gz RXTSBVLKGKBIAW-IRXDYDNUSA-N 0 1 414.525 4.168 20 0 HIADMN C[C@H]1C[C@@]1(NCC(=O)Nc1ccnn1Cc1cccs1)c1ccc(Cl)cc1 ZINC000503368757 912347226 /nfs/dbraw/zinc/34/72/26/912347226.db2.gz OCUNHGGLYTUEAB-XOBRGWDASA-N 0 1 400.935 4.110 20 0 HIADMN CCNC(=O)N1CCc2ccc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)cc21 ZINC000465112385 878489369 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CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503407456 912387040 /nfs/dbraw/zinc/38/70/40/912387040.db2.gz DWXGPPOMVLMKRS-NNMXDRDESA-N 0 1 408.590 4.227 20 0 HIADMN CCc1c(NC(=O)Cc2ccc(Br)c(F)c2)[nH]nc1-c1ccncc1 ZINC000503406523 912386531 /nfs/dbraw/zinc/38/65/31/912386531.db2.gz MAEUSQPIMCPQDW-UHFFFAOYSA-N 0 1 403.255 4.117 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](Cc2ccccc2)C1)N1CCCC1 ZINC000465425768 878856394 /nfs/dbraw/zinc/85/63/94/878856394.db2.gz WBIIBTXVWMRSDO-JTHBVZDNSA-N 0 1 407.558 4.106 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1Cl ZINC000465426373 878856414 /nfs/dbraw/zinc/85/64/14/878856414.db2.gz HNAFPNBESSVKML-AFYVEPGGSA-N 0 1 407.986 4.226 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1)N1CCCC1 ZINC000465427420 878857614 /nfs/dbraw/zinc/85/76/14/878857614.db2.gz CNMOCOGVCWWKCG-UYAOXDASSA-N 0 1 414.575 4.048 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N1CCCC2(CCOCC2)C1)c1ccccc1Cl ZINC000465431472 878863547 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0 HIADMN CCc1nc(NC(=O)N[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)sc1C ZINC000471998937 886824589 /nfs/dbraw/zinc/82/45/89/886824589.db2.gz OIVSVMZWYFKXJS-RBUKOAKNSA-N 0 1 400.548 4.122 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1nnc(Cc2cccc(F)c2)s1)c1ccco1 ZINC000504202473 913084780 /nfs/dbraw/zinc/08/47/80/913084780.db2.gz CNBRBLJQGJINMS-INIZCTEOSA-N 0 1 417.510 4.066 20 0 HIADMN COCCCC[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000472036354 886855828 /nfs/dbraw/zinc/85/58/28/886855828.db2.gz XMXSWWNSOCVYDR-YKSBVNFPSA-N 0 1 424.589 4.464 20 0 HIADMN COCCN(Cc1ccc(F)cc1Cl)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000504212233 913088381 /nfs/dbraw/zinc/08/83/81/913088381.db2.gz LTTRTLAOBYOAQJ-KRWDZBQOSA-N 0 1 413.946 4.002 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(F)cc2Cl)N2CCCC2)cc1 ZINC000504212815 913090170 /nfs/dbraw/zinc/09/01/70/913090170.db2.gz OZUZUQYVWDFVSC-OAQYLSRUSA-N 0 1 419.928 4.466 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)NCc3ccc4ncccc4c3)CCN2C2CC2)c1 ZINC000472142110 886938568 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O=C(CCc1cnc2ccccc2c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000472481664 887346226 /nfs/dbraw/zinc/34/62/26/887346226.db2.gz ZEDWUNQAAGKAJY-OAQYLSRUSA-N 0 1 411.509 4.359 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000472526713 887397860 /nfs/dbraw/zinc/39/78/60/887397860.db2.gz FYFGBSCDJQNLMV-NPZRNVLXSA-N 0 1 424.318 4.136 20 0 HIADMN O=C(NCc1ccc(F)cc1)c1nnc(CN[C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000472599272 887470437 /nfs/dbraw/zinc/47/04/37/887470437.db2.gz IFXHZEFGUJHEMD-QUCCMNQESA-N 0 1 424.545 4.108 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCc2cccc(C(F)(F)F)c2)c1 ZINC000472740999 887586200 /nfs/dbraw/zinc/58/62/00/887586200.db2.gz YRFLINCPHKVKAL-UHFFFAOYSA-N 0 1 415.433 4.166 20 0 HIADMN Cc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)c(-c2nc(C3CC3)no2)c1 ZINC000472886691 887736935 /nfs/dbraw/zinc/73/69/35/887736935.db2.gz GFFNKMDBFDQXFV-HXUWFJFHSA-N 0 1 423.492 4.486 20 0 HIADMN Cc1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)c(-c2nc(C3CC3)no2)c1 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411.502 4.000 20 0 HIADMN CCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000477914204 892992731 /nfs/dbraw/zinc/99/27/31/892992731.db2.gz IGBCSIUKOCXPNW-JXFKEZNVSA-N 0 1 400.494 4.075 20 0 HIADMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000477914206 892994309 /nfs/dbraw/zinc/99/43/09/892994309.db2.gz IGBCSIUKOCXPNW-OXQOHEQNSA-N 0 1 400.494 4.075 20 0 HIADMN OC[C@H](Cc1ccc(F)cc1)N[C@H](c1ccco1)c1ccc(Br)cc1 ZINC000477916645 892998823 /nfs/dbraw/zinc/99/88/23/892998823.db2.gz RSHWWSAMEUOOFB-ICSRJNTNSA-N 0 1 404.279 4.464 20 0 HIADMN Cc1c([C@H](C)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)cnn1-c1cc(C)ccc1C ZINC000477917227 892999851 /nfs/dbraw/zinc/99/98/51/892999851.db2.gz TVTLSOCENDSVKO-MBSDFSHPSA-N 0 1 420.532 4.388 20 0 HIADMN Cc1nc(-c2cccnc2)sc1[C@H](C)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000477919550 893004767 /nfs/dbraw/zinc/00/47/67/893004767.db2.gz DOLNGCCNUVRZLN-IFXJQAMLSA-N 0 1 410.518 4.104 20 0 HIADMN O=C(Nc1ccc(NC(=O)c2ccc(Nc3ccncc3)cc2)nc1)c1ccccc1 ZINC000477933017 893023195 /nfs/dbraw/zinc/02/31/95/893023195.db2.gz SDPRPMUPTWTYQO-UHFFFAOYSA-N 0 1 409.449 4.147 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000478049002 893195152 /nfs/dbraw/zinc/19/51/52/893195152.db2.gz KNMBPPQITBLSIV-QGZVFWFLSA-N 0 1 412.440 4.487 20 0 HIADMN CN(C)C(=O)c1cccc(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)c1 ZINC000478213225 893374685 /nfs/dbraw/zinc/37/46/85/893374685.db2.gz RPPCGPHPDOHORV-UHFFFAOYSA-N 0 1 404.558 4.221 20 0 HIADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccnc3ccnn32)cc1 ZINC000478250870 893425532 /nfs/dbraw/zinc/42/55/32/893425532.db2.gz IUMYUYUQMUMIAU-UHFFFAOYSA-N 0 1 412.472 4.319 20 0 HIADMN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478260488 893445164 /nfs/dbraw/zinc/44/51/64/893445164.db2.gz DVAWYYYRIBAIGR-QHCPKHFHSA-N 0 1 412.961 4.244 20 0 HIADMN CCOc1ccc(OCC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000478263425 893449960 /nfs/dbraw/zinc/44/99/60/893449960.db2.gz WKGXTXUPGRSAPV-NRFANRHFSA-N 0 1 402.922 4.071 20 0 HIADMN CCc1c(C(=O)NC[C@@H](c2cccs2)N(C)C)cnn1-c1ccccc1Cl ZINC000478266387 893458030 /nfs/dbraw/zinc/45/80/30/893458030.db2.gz YMNMCQUKIHHCDZ-SFHVURJKSA-N 0 1 402.951 4.182 20 0 HIADMN CCOc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1OC ZINC000478279243 893482543 /nfs/dbraw/zinc/48/25/43/893482543.db2.gz CKDQXBBPLRJQAJ-IBGZPJMESA-N 0 1 402.922 4.314 20 0 HIADMN O=C(Cc1cscc1Br)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000478306194 893525446 /nfs/dbraw/zinc/52/54/46/893525446.db2.gz AFFJIWNHCRWJBU-OAHLLOKOSA-N 0 1 406.305 4.420 20 0 HIADMN COc1ccc(-c2nc(Cc3noc(-c4cc(-c5cccs5)n[nH]4)n3)co2)cc1 ZINC000505055951 913794689 /nfs/dbraw/zinc/79/46/89/913794689.db2.gz VJAOERNHSGKAJV-UHFFFAOYSA-N 0 1 405.439 4.443 20 0 HIADMN O=C(NC[C@H]1CCC[C@@H](CO)C1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000478419271 893713456 /nfs/dbraw/zinc/71/34/56/893713456.db2.gz AWELJGOBYCPDGO-WDEREUQCSA-N 0 1 420.382 4.137 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)NCC2CCCC2)ccc1C ZINC000505062720 913800746 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0 HIADMN C[C@@H](CN(C)C(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nn[nH]n1 ZINC000478600696 893867734 /nfs/dbraw/zinc/86/77/34/893867734.db2.gz ZJFWOQQNKAXGSR-HNNXBMFYSA-N 0 1 421.526 4.255 20 0 HIADMN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000478632260 893885862 /nfs/dbraw/zinc/88/58/62/893885862.db2.gz PSKMWDRAIHPVPN-UHFFFAOYSA-N 0 1 401.422 4.181 20 0 HIADMN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(Br)c(F)cc2C)cn1 ZINC000478688466 893944131 /nfs/dbraw/zinc/94/41/31/893944131.db2.gz BQMCVXHJWIUGIC-SECBINFHSA-N 0 1 402.289 4.001 20 0 HIADMN O=C(Cc1nc(CSc2nc(Cc3ccccc3)n[nH]2)cs1)Nc1ccccc1 ZINC000478741794 894017771 /nfs/dbraw/zinc/01/77/71/894017771.db2.gz VDGQSPUAAMJFSW-UHFFFAOYSA-N 0 1 421.551 4.326 20 0 HIADMN COc1ccc([C@H](NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)C(C)C)cc1 ZINC000478744456 894019493 /nfs/dbraw/zinc/01/94/93/894019493.db2.gz IODRFUQFIUBVSH-OAQYLSRUSA-N 0 1 410.543 4.010 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cc(C4CCCCC4)nn3C)[nH]n2)cc1OC ZINC000478783723 894058460 /nfs/dbraw/zinc/05/84/60/894058460.db2.gz QVBBARUSWKFLOG-UHFFFAOYSA-N 0 1 409.490 4.127 20 0 HIADMN CN(C)Cc1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)cc1Cl ZINC000505129734 913833788 /nfs/dbraw/zinc/83/37/88/913833788.db2.gz MWPNIJYDBPZAOL-UHFFFAOYSA-N 0 1 407.699 4.293 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCC[C@H](C(F)(F)F)[C@@H]2C)N2CCCC2)cc1 ZINC000478818974 894092428 /nfs/dbraw/zinc/09/24/28/894092428.db2.gz BOXAQXDVBOJBHR-SNRMKQJTSA-N 0 1 413.484 4.205 20 0 HIADMN NC(=O)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cccc(Br)c1 ZINC000478872918 894151532 /nfs/dbraw/zinc/15/15/32/894151532.db2.gz VLWAREGMHJFRIU-CYBMUJFWSA-N 0 1 423.723 4.206 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)N2CCCC2)o1 ZINC000478892526 894172887 /nfs/dbraw/zinc/17/28/87/894172887.db2.gz MVJBJMWRRRLGRP-WBVHZDCISA-N 0 1 401.473 4.345 20 0 HIADMN CCc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)cnn1-c1ccccc1Cl ZINC000478898451 894180973 /nfs/dbraw/zinc/18/09/73/894180973.db2.gz DKFRPHVFEPTMKQ-IBGZPJMESA-N 0 1 402.951 4.182 20 0 HIADMN O=C(NCc1nc(-c2cc3ccccc3o2)cs1)c1ccc(-c2nnc[nH]2)cc1 ZINC000478907734 894187958 /nfs/dbraw/zinc/18/79/58/894187958.db2.gz YKGMQPRPDIQDPM-UHFFFAOYSA-N 0 1 401.451 4.271 20 0 HIADMN COc1ccccc1[C@@H](CC(C)C)N[C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479057713 894316595 /nfs/dbraw/zinc/31/65/95/894316595.db2.gz JOLJSGZVYJDJGO-FXAWDEMLSA-N 0 1 404.576 4.397 20 0 HIADMN COc1c2ccccc2[nH]c1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000505169474 913858307 /nfs/dbraw/zinc/85/83/07/913858307.db2.gz NRPZIHAPFADDEV-NRFANRHFSA-N 0 1 407.514 4.142 20 0 HIADMN Cc1ccc(O[C@H](C)CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1 ZINC000479071426 894336555 /nfs/dbraw/zinc/33/65/55/894336555.db2.gz SDWKHDIMTHXQKX-OLZOCXBDSA-N 0 1 417.358 4.067 20 0 HIADMN Cc1ccc(CN[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)c(OC(C)(C)C)c1 ZINC000479078958 894343696 /nfs/dbraw/zinc/34/36/96/894343696.db2.gz OVNGEPALVHPMDR-KRWDZBQOSA-N 0 1 404.576 4.287 20 0 HIADMN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000479117728 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CCCOc1ccc([C@@H](C)N[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1OC ZINC000479333972 894627655 /nfs/dbraw/zinc/62/76/55/894627655.db2.gz IOXAIIMXRHUPCQ-SJORKVTESA-N 0 1 420.575 4.160 20 0 HIADMN C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000479344705 894639826 /nfs/dbraw/zinc/63/98/26/894639826.db2.gz CVUFODKJFDRBTH-OPAMFIHVSA-N 0 1 406.505 4.469 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@H](CCO)c1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000479348795 894645364 /nfs/dbraw/zinc/64/53/64/894645364.db2.gz MZYACHQPCDNIMO-SJORKVTESA-N 0 1 416.374 4.081 20 0 HIADMN FC(F)(F)COc1cc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)ccn1 ZINC000479355168 894652772 /nfs/dbraw/zinc/65/27/72/894652772.db2.gz DELQRNWCAQUUPN-SFHVURJKSA-N 0 1 402.420 4.376 20 0 HIADMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000479358478 894656699 /nfs/dbraw/zinc/65/66/99/894656699.db2.gz JDQLQZYQHXGGRQ-ZIAGYGMSSA-N 0 1 400.466 4.381 20 0 HIADMN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1[nH]nc2ccccc21 ZINC000505219995 913890495 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421.614 4.425 20 0 HIADMN CC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(Cl)c1F ZINC000480710450 896073218 /nfs/dbraw/zinc/07/32/18/896073218.db2.gz OTNDJBIEWMXNRU-KRWDZBQOSA-N 0 1 414.905 4.399 20 0 HIADMN CC(C)CN(C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)C1CCCC1 ZINC000480730398 896089932 /nfs/dbraw/zinc/08/99/32/896089932.db2.gz IGLDDZMKKNAQAT-WOJBJXKFSA-N 0 1 401.595 4.406 20 0 HIADMN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000480731806 896092349 /nfs/dbraw/zinc/09/23/49/896092349.db2.gz RKMKLHQXLRSDLQ-ICSRJNTNSA-N 0 1 424.488 4.152 20 0 HIADMN Clc1cc(Br)cc2c1CC[C@@H]2NCc1cccc(N2CCOCC2)n1 ZINC000480738383 896098511 /nfs/dbraw/zinc/09/85/11/896098511.db2.gz XHZJBCKVRRSXFW-SFHVURJKSA-N 0 1 422.754 4.111 20 0 HIADMN CCCOc1ccc([C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)cc1OC ZINC000480741904 896102762 /nfs/dbraw/zinc/10/27/62/896102762.db2.gz UTYNUFATOVJKBQ-HZPDHXFCSA-N 0 1 421.559 4.308 20 0 HIADMN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1OC 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SLLNEEDYBTZUHL-LOSJGSFVSA-N 0 1 404.554 4.456 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000481135648 896462860 /nfs/dbraw/zinc/46/28/60/896462860.db2.gz HMUIHULCWFKXAD-JTQLQIEISA-N 0 1 407.305 4.272 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)[nH]n2)cc1 ZINC000481148752 896477076 /nfs/dbraw/zinc/47/70/76/896477076.db2.gz NZXNHMPYAHOFSE-GOSISDBHSA-N 0 1 407.470 4.286 20 0 HIADMN Cc1[nH]c(SCC(=O)N[C@@H]2CCCc3c(O)cccc32)nc1Cc1ccccc1 ZINC000481178591 896514029 /nfs/dbraw/zinc/51/40/29/896514029.db2.gz WSUXUMUNCJIMJG-LJQANCHMSA-N 0 1 407.539 4.300 20 0 HIADMN C[C@@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1cccs1 ZINC000481185399 896530807 /nfs/dbraw/zinc/53/08/07/896530807.db2.gz GPHWLMMDOUQXNY-OAHLLOKOSA-N 0 1 404.532 4.217 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)n[nH]1 ZINC000481201250 896554431 /nfs/dbraw/zinc/55/44/31/896554431.db2.gz JZHSRHOABCIEOX-SNVBAGLBSA-N 0 1 400.870 4.052 20 0 HIADMN 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CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCc2ccc(-c3csc(C)n3)s2)n[nH]1 ZINC000487638420 902266426 /nfs/dbraw/zinc/26/64/26/902266426.db2.gz FYCFBFQDFLRVLV-VXGBXAGGSA-N 0 1 418.592 4.415 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n[nH]1 ZINC000487690415 902294645 /nfs/dbraw/zinc/29/46/45/902294645.db2.gz PLAZEKFSQKNPLH-RDJZCZTQSA-N 0 1 410.493 4.428 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)n[nH]1 ZINC000487690417 902294983 /nfs/dbraw/zinc/29/49/83/902294983.db2.gz PLAZEKFSQKNPLH-WBVHZDCISA-N 0 1 410.493 4.428 20 0 HIADMN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000487724033 902318457 /nfs/dbraw/zinc/31/84/57/902318457.db2.gz ONLXGXAVIIXAGC-OAQYLSRUSA-N 0 1 404.514 4.344 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3cccc(O)c3)CC3CC3)n2)cc1 ZINC000487761920 902347758 /nfs/dbraw/zinc/34/77/58/902347758.db2.gz PHFFDGILAHMVQI-UHFFFAOYSA-N 0 1 408.527 4.017 20 0 HIADMN CCCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1Cl 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HIADMN Cc1nc(SCc2nnc(C(=O)NCc3ccccc3)s2)[nH]c1-c1ccccc1 ZINC000488287462 902749773 /nfs/dbraw/zinc/74/97/73/902749773.db2.gz BWVFQDJTQJHZQK-UHFFFAOYSA-N 0 1 421.551 4.459 20 0 HIADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Sc1nc(C)c(-c2ccccc2)[nH]1 ZINC000488295668 902757669 /nfs/dbraw/zinc/75/76/69/902757669.db2.gz NPRFJSQRQJXVQS-CQSZACIVSA-N 0 1 424.526 4.471 20 0 HIADMN COc1ccc(CCN(Cc2ccsc2)C(=O)c2cc(C(C)C)[nH]n2)cc1OC ZINC000488317652 902763078 /nfs/dbraw/zinc/76/30/78/902763078.db2.gz IWBGOPUTNNMLAV-UHFFFAOYSA-N 0 1 413.543 4.497 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)N(C)Cc3ccc(F)c(F)c3)CCN2C2CC2)c1 ZINC000488389455 902800056 /nfs/dbraw/zinc/80/00/56/902800056.db2.gz YZJKIRXGKSDTAP-FCHUYYIVSA-N 0 1 415.484 4.093 20 0 HIADMN COc1cc(CN(CCO)Cc2cccc(Br)c2)cc(Cl)c1OC ZINC000488398317 902807430 /nfs/dbraw/zinc/80/74/30/902807430.db2.gz NDSKXKZHDDGABS-UHFFFAOYSA-N 0 1 414.727 4.114 20 0 HIADMN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1 ZINC000488403062 902810947 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20 0 HIADMN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(=O)c4ccccc4[nH]3)cc2)cc1 ZINC000505993853 914662953 /nfs/dbraw/zinc/66/29/53/914662953.db2.gz ZVTAHAUNMCNHCK-UHFFFAOYSA-N 0 1 413.433 4.041 20 0 HIADMN COc1ccc(F)cc1CNC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488537631 902874821 /nfs/dbraw/zinc/87/48/21/902874821.db2.gz ZWIQYABESYMEDV-VLIAUNLRSA-N 0 1 423.891 4.119 20 0 HIADMN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)C(=O)N(C)C(C)C ZINC000488541237 902875814 /nfs/dbraw/zinc/87/58/14/902875814.db2.gz PICMYSQVQKOOKC-KRWDZBQOSA-N 0 1 404.576 4.413 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)[C@@H](C)Cn3ccc4ccccc43)CC2)cc1 ZINC000505998024 914668176 /nfs/dbraw/zinc/66/81/76/914668176.db2.gz YNBXIQAPFNZDCH-FQEVSTJZSA-N 0 1 405.542 4.021 20 0 HIADMN O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000488671712 902933412 /nfs/dbraw/zinc/93/34/12/902933412.db2.gz CNEHCOHGTFRICT-UHFFFAOYSA-N 0 1 414.505 4.127 20 0 HIADMN CC(C)COC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccco1 ZINC000488676111 902938181 /nfs/dbraw/zinc/93/81/81/902938181.db2.gz UWQUJNOPVROHNG-AWEZNQCLSA-N 0 1 409.401 4.130 20 0 HIADMN CCCN(CCC(=O)N1CCc2sccc2C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000488736054 902972376 /nfs/dbraw/zinc/97/23/76/902972376.db2.gz DHNXQYMYIGWHNF-UHFFFAOYSA-N 0 1 419.978 4.027 20 0 HIADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000488844769 903038757 /nfs/dbraw/zinc/03/87/57/903038757.db2.gz VJAUDEUCPJNWIB-HXUWFJFHSA-N 0 1 406.570 4.343 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCOC[C@H](C2CCC2)C1 ZINC000488946578 903092608 /nfs/dbraw/zinc/09/26/08/903092608.db2.gz WUHJEOUQKLTIFZ-OAQYLSRUSA-N 0 1 419.997 4.010 20 0 HIADMN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC2CCCC2)ccc1O ZINC000488986838 903106685 /nfs/dbraw/zinc/10/66/85/903106685.db2.gz SJOIBXYIZCAZTH-UHFFFAOYSA-N 0 1 424.906 4.126 20 0 HIADMN C[C@]1(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)CCCN1Cc1ccccc1 ZINC000489050608 903156416 /nfs/dbraw/zinc/15/64/16/903156416.db2.gz XFBBMOQTJZSFQQ-AREMUKBSSA-N 0 1 419.569 4.346 20 0 HIADMN CC[C@@H](C)[C@H](NCc1cnn(C(C)C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000489073866 903176677 /nfs/dbraw/zinc/17/66/77/903176677.db2.gz VIWAUHAZKCJMMD-YKSBVNFPSA-N 0 1 410.606 4.450 20 0 HIADMN COc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2=O)cc1OCc1ccccc1 ZINC000489109843 903203276 /nfs/dbraw/zinc/20/32/76/903203276.db2.gz ZNKWHMVBCGLMTJ-OAQYLSRUSA-N 0 1 420.484 4.308 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)n[nH]1 ZINC000489211228 903266438 /nfs/dbraw/zinc/26/64/38/903266438.db2.gz WFZOFYAJVSRBSJ-NWDGAFQWSA-N 0 1 406.412 4.014 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)n[nH]1 ZINC000489233897 903278868 /nfs/dbraw/zinc/27/88/68/903278868.db2.gz AEPJMTLQPOXQEY-DTWKUNHWSA-N 0 1 404.364 4.012 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)n[nH]1 ZINC000489254795 903291716 /nfs/dbraw/zinc/29/17/16/903291716.db2.gz QKFNTBLWWQGEJD-KBPBESRZSA-N 0 1 410.522 4.448 20 0 HIADMN O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1F)c1[nH]nc2c1CCC2 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CN(C)c1cccc(CCC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000527170026 930605239 /nfs/dbraw/zinc/60/52/39/930605239.db2.gz UDERHRAOZHDDMR-FQEVSTJZSA-N 0 1 409.578 4.257 20 0 HIADMN O=C(c1cc(O)ccc1C(F)(F)F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000527255500 930621002 /nfs/dbraw/zinc/62/10/02/930621002.db2.gz UUICKDOBPIHQCM-CQSZACIVSA-N 0 1 416.403 4.216 20 0 HIADMN CC(C)[C@H](CC(F)(F)F)NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000527346503 930642604 /nfs/dbraw/zinc/64/26/04/930642604.db2.gz RBPYRKOTVOCXHK-CVEARBPZSA-N 0 1 409.456 4.338 20 0 HIADMN CC[C@H](Cc1ccccc1)C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000527364837 930649023 /nfs/dbraw/zinc/64/90/23/930649023.db2.gz HEAIBTDIADPXMC-QAPCUYQASA-N 0 1 402.420 4.298 20 0 HIADMN CCC(C)(C)N(C)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000527480362 930665813 /nfs/dbraw/zinc/66/58/13/930665813.db2.gz VISCAZIMBFJKHP-UHFFFAOYSA-N 0 1 404.532 4.065 20 0 HIADMN O=C(CCc1nc2cc(Cl)ccc2s1)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000530291955 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JPLSLFBRQPNHDV-OXJNMPFZSA-N 0 1 407.493 4.336 20 0 HIADMN CCN(Cc1cccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1)C(C)=O ZINC000530598412 930765603 /nfs/dbraw/zinc/76/56/03/930765603.db2.gz QDIWJIFGVAGFHP-OAQYLSRUSA-N 0 1 416.953 4.133 20 0 HIADMN COc1ccc(C[C@H](C)NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1OC ZINC000530650780 930785690 /nfs/dbraw/zinc/78/56/90/930785690.db2.gz JKDIPEHIDOKPJG-JXFKEZNVSA-N 0 1 422.529 4.366 20 0 HIADMN CCC(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000530650769 930785733 /nfs/dbraw/zinc/78/57/33/930785733.db2.gz AQOWHPGRAFUMQO-HXUWFJFHSA-N 0 1 405.502 4.267 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3ccn(-c4ccccc4)n3)[nH]c2c1 ZINC000530650770 930785787 /nfs/dbraw/zinc/78/57/87/930785787.db2.gz BDNRYKHVJOWKEK-JOCHJYFZSA-N 0 1 414.513 4.146 20 0 HIADMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(F)c(Cl)c3)n2)c(OC)c1 ZINC000530766345 930819282 /nfs/dbraw/zinc/81/92/82/930819282.db2.gz BAAJLPINXJUFRT-UHFFFAOYSA-N 0 1 407.854 4.256 20 0 HIADMN 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O=C1C[C@H](NCc2ccccc2OCc2ccncc2)CN1c1ccccc1Cl ZINC000539600000 938886090 /nfs/dbraw/zinc/88/60/90/938886090.db2.gz PEAVFYWCSUPAGK-IBGZPJMESA-N 0 1 407.901 4.209 20 0 HIADMN O=C1[C@@H](NCC2=Cc3ccccc3OC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000539634436 938891278 /nfs/dbraw/zinc/89/12/78/938891278.db2.gz GIPJHFOCUWLZGK-FQEVSTJZSA-N 0 1 416.443 4.262 20 0 HIADMN C[C@@H]1CN(Cc2cccc(N[C@H](Cc3ccccn3)c3cccnc3)c2)C[C@@H](C)O1 ZINC000539689417 938902061 /nfs/dbraw/zinc/90/20/61/938902061.db2.gz JYUCTHSTUFCXFT-UMEGOILYSA-N 0 1 402.542 4.482 20 0 HIADMN O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000539718174 938911179 /nfs/dbraw/zinc/91/11/79/938911179.db2.gz QBGFRWURHWWWHG-OAHLLOKOSA-N 0 1 411.849 4.223 20 0 HIADMN O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000539718174 938911187 /nfs/dbraw/zinc/91/11/87/938911187.db2.gz QBGFRWURHWWWHG-OAHLLOKOSA-N 0 1 411.849 4.223 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(Cl)c1 ZINC000539717773 938911194 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ZINC000541473029 939530035 /nfs/dbraw/zinc/53/00/35/939530035.db2.gz PZJRADWPTAMKSB-UHFFFAOYSA-N 0 1 410.566 4.401 20 0 HIADMN C[C@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cccc(F)c1F ZINC000541482530 939532850 /nfs/dbraw/zinc/53/28/50/939532850.db2.gz LXNZQQKCJPCCBB-GOEBONIOSA-N 0 1 411.456 4.400 20 0 HIADMN O=C(NCc1cc(F)cc(F)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000541492138 939535175 /nfs/dbraw/zinc/53/51/75/939535175.db2.gz GDCAYFJQEOJGDU-MRXNPFEDSA-N 0 1 403.477 4.220 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3csc(-c4ccccn4)n3)n2)cc1 ZINC000541528504 939544651 /nfs/dbraw/zinc/54/46/51/939544651.db2.gz SEIIDOFCNWVZCN-UHFFFAOYSA-N 0 1 408.512 4.029 20 0 HIADMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000541548188 939551358 /nfs/dbraw/zinc/55/13/58/939551358.db2.gz DMTYBFNMSSZQMG-MRXNPFEDSA-N 0 1 410.445 4.416 20 0 HIADMN Cc1cc([C@H](NCCN2CCN(c3ccccc3)CC2)c2cccnc2)ccc1F ZINC000541548550 939551638 /nfs/dbraw/zinc/55/16/38/939551638.db2.gz 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CC(C)n1cc([C@H](C)NCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cn1 ZINC000541645220 939585410 /nfs/dbraw/zinc/58/54/10/939585410.db2.gz WTRPWVFCBVARFG-GAJHUEQPSA-N 0 1 408.571 4.350 20 0 HIADMN CN(CC(=O)Nc1ccccc1Br)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700632 939608463 /nfs/dbraw/zinc/60/84/63/939608463.db2.gz VMFUQYMONYYZFB-QFBILLFUSA-N 0 1 421.310 4.379 20 0 HIADMN COc1ccc(NC(=O)CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000541701937 939609232 /nfs/dbraw/zinc/60/92/32/939609232.db2.gz ZNLAKLIXESKDQP-XLIONFOSSA-N 0 1 406.885 4.278 20 0 HIADMN COc1ccccc1Oc1ccc(CN[C@@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000541733686 939616483 /nfs/dbraw/zinc/61/64/83/939616483.db2.gz GQUCRKYGUXDBSG-SFHVURJKSA-N 0 1 411.523 4.440 20 0 HIADMN Brc1ccccc1N1CC[C@@H](N[C@@H](c2ccccc2)c2cncnc2)C1 ZINC000541734925 939616518 /nfs/dbraw/zinc/61/65/18/939616518.db2.gz YJXRSBOIPPTDGX-NQIIRXRSSA-N 0 1 409.331 4.197 20 0 HIADMN FC(F)(F)c1cnc(OCCN[C@H](c2ccccc2)c2cncnc2)c(Cl)c1 ZINC000541743078 939618937 /nfs/dbraw/zinc/61/89/37/939618937.db2.gz CQJDKTZMOYGZRH-QGZVFWFLSA-N 0 1 408.811 4.302 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccc(COCc3ccco3)c2)cc1 ZINC000541746084 939619187 /nfs/dbraw/zinc/61/91/87/939619187.db2.gz UNSVDLAXNRZANA-IBGZPJMESA-N 0 1 413.539 4.257 20 0 HIADMN C[C@@H](C(=O)N[C@H](c1nnc[nH]1)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000541746974 939619835 /nfs/dbraw/zinc/61/98/35/939619835.db2.gz PYUQDWMCLAKSGM-VGSWGCGISA-N 0 1 410.477 4.045 20 0 HIADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2cnn(-c3ccccc3)c2)cc1 ZINC000541749746 939620294 /nfs/dbraw/zinc/62/02/94/939620294.db2.gz RQWSFYPIBUVZCI-DHIUTWEWSA-N 0 1 409.555 4.055 20 0 HIADMN Cc1cc(Br)ccc1NC(=O)CCNCc1cc(F)c(F)cc1F ZINC000541761827 939623786 /nfs/dbraw/zinc/62/37/86/939623786.db2.gz CLNLKUWLYVKWCL-UHFFFAOYSA-N 0 1 401.226 4.293 20 0 HIADMN CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccsc1 ZINC000541786031 939629691 /nfs/dbraw/zinc/62/96/91/939629691.db2.gz UBACUOYFCZEOCF-VAMGGRTRSA-N 0 1 405.539 4.052 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@H]2CNCc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000541795190 939633304 /nfs/dbraw/zinc/63/33/04/939633304.db2.gz KTNTZDHTFRNOIG-UWJYYQICSA-N 0 1 407.963 4.309 20 0 HIADMN C[C@@]1(CCCO)CCCN1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000541802832 939637030 /nfs/dbraw/zinc/63/70/30/939637030.db2.gz PWUYKTIEEPAVBS-INIZCTEOSA-N 0 1 420.382 4.376 20 0 HIADMN COc1cc(CNC(=O)c2cccc3nc(-c4cccs4)[nH]c32)cc(OC)c1OC ZINC000541840948 939645639 /nfs/dbraw/zinc/64/56/39/939645639.db2.gz SNZPWFOFAOWTPB-UHFFFAOYSA-N 0 1 423.494 4.247 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc2nsnc2c1 ZINC000541877450 939648713 /nfs/dbraw/zinc/64/87/13/939648713.db2.gz DDJCZRFYFAXGIO-UHFFFAOYSA-N 0 1 413.331 4.474 20 0 HIADMN CCOC(=O)c1cc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)n[nH]1 ZINC000541904796 939650466 /nfs/dbraw/zinc/65/04/66/939650466.db2.gz NXEYVXKNUFPBCX-UHFFFAOYSA-N 0 1 421.482 4.007 20 0 HIADMN CSC[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000541912732 939651817 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HIADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)N[C@H](C)c1nc(C)cs1 ZINC000542152304 939732607 /nfs/dbraw/zinc/73/26/07/939732607.db2.gz RERUTZCPWWIMBD-ZWNOBZJWSA-N 0 1 409.577 4.374 20 0 HIADMN CC(C)n1ccc(C[C@@H](C)Nc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)n1 ZINC000542155097 939734091 /nfs/dbraw/zinc/73/40/91/939734091.db2.gz NGDIDOFPSMEWGM-MSOLQXFVSA-N 0 1 415.557 4.459 20 0 HIADMN COC(=O)c1cccc(NC(=O)C[C@@H](C)NCc2nc3cc(Cl)ccc3s2)c1 ZINC000542154958 939734242 /nfs/dbraw/zinc/73/42/42/939734242.db2.gz KVLKCDFDOISCGM-GFCCVEGCSA-N 0 1 417.918 4.243 20 0 HIADMN Cc1ccc(-c2n[nH]c(SC[C@@H](O)COc3ccccc3C(F)(F)F)n2)cc1 ZINC000542189037 939749654 /nfs/dbraw/zinc/74/96/54/939749654.db2.gz ABFCHVHVKQVZQC-AWEZNQCLSA-N 0 1 409.433 4.331 20 0 HIADMN CCN(CC)[C@H](C(=O)NCCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000542201692 939754532 /nfs/dbraw/zinc/75/45/32/939754532.db2.gz VPSXBMMJYPLJNM-NRFANRHFSA-N 0 1 410.493 4.008 20 0 HIADMN Cc1nc([C@H]2CCCN([C@H](Cc3ccc(C(F)(F)F)cc3)C(N)=O)C2)sc1C ZINC000542210043 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421.585 4.180 20 0 HIADMN Cc1cn(C2CCCCC2)nc1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000542427335 939820516 /nfs/dbraw/zinc/82/05/16/939820516.db2.gz GMMIXIMVAXNFJD-UHFFFAOYSA-N 0 1 409.578 4.156 20 0 HIADMN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc(CN3CCSCC3)cc2)c1 ZINC000542442181 939823682 /nfs/dbraw/zinc/82/36/82/939823682.db2.gz MGCHCPIFTJEOQL-FDDCHVKYSA-N 0 1 410.583 4.467 20 0 HIADMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1OCc1cscn1 ZINC000542447266 939824876 /nfs/dbraw/zinc/82/48/76/939824876.db2.gz OYRNZHXZKOMOAU-UHFFFAOYSA-N 0 1 411.874 4.413 20 0 HIADMN CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(Br)s2)cc1 ZINC000542472792 939829010 /nfs/dbraw/zinc/82/90/10/939829010.db2.gz BBBUKRAMPFHWKZ-SFHVURJKSA-N 0 1 409.393 4.236 20 0 HIADMN Cc1cc2[nH]c(C(=O)N[C@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)cc2c(C)c1 ZINC000542472950 939829082 /nfs/dbraw/zinc/82/90/82/939829082.db2.gz QCABMXWDGMSFGS-SFHVURJKSA-N 0 1 413.403 4.441 20 0 HIADMN O=C(CCOc1cccc(Cl)c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000542479113 939830258 /nfs/dbraw/zinc/83/02/58/939830258.db2.gz NZCOVMNUMKKXLO-QGZVFWFLSA-N 0 1 424.810 4.152 20 0 HIADMN COC1CCC(N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000542485756 939831632 /nfs/dbraw/zinc/83/16/32/939831632.db2.gz IMJTXXDDRHKSKG-MYKUNDNFSA-N 0 1 409.498 4.005 20 0 HIADMN Cc1ccc(S(=O)(=O)N[C@H](CN2CCC[C@H]2c2ccccn2)c2ccccc2)cc1 ZINC000542506906 939834275 /nfs/dbraw/zinc/83/42/75/939834275.db2.gz NSFILTFXANWDKV-RPWUZVMVSA-N 0 1 421.566 4.247 20 0 HIADMN CCOc1ccccc1CCNCc1ncc(Br)cc1Br ZINC000542516890 939835950 /nfs/dbraw/zinc/83/59/50/939835950.db2.gz OLTAXBJKQUWVSV-UHFFFAOYSA-N 0 1 414.141 4.338 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000542529728 939837911 /nfs/dbraw/zinc/83/79/11/939837911.db2.gz QAFYFBBJBJRDCE-ONGXEEELSA-N 0 1 404.383 4.018 20 0 HIADMN CSc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000542529150 939837950 /nfs/dbraw/zinc/83/79/50/939837950.db2.gz PTIHYOQTUWGMDS-AAEUAGOBSA-N 0 1 414.497 4.462 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000542529727 939838021 /nfs/dbraw/zinc/83/80/21/939838021.db2.gz QAFYFBBJBJRDCE-MWLCHTKSSA-N 0 1 404.383 4.018 20 0 HIADMN CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000542532125 939838474 /nfs/dbraw/zinc/83/84/74/939838474.db2.gz OLBMSCBOLFKQBP-GXTWGEPZSA-N 0 1 412.456 4.139 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000542530998 939838598 /nfs/dbraw/zinc/83/85/98/939838598.db2.gz IRQADEZJPAYROH-XOYHFGRZSA-N 0 1 414.516 4.283 20 0 HIADMN CC(C)COC[C@@H](NCCc1nc2sc3c(c2c(N)n1)CCCC3)c1ccco1 ZINC000542556324 939842994 /nfs/dbraw/zinc/84/29/94/939842994.db2.gz OBIRVCBEONCYJJ-MRXNPFEDSA-N 0 1 414.575 4.291 20 0 HIADMN Cc1csc([C@H](C)CNC(=O)N2CCN(Cc3cccc4ccccc43)CC2)n1 ZINC000542559043 939843636 /nfs/dbraw/zinc/84/36/36/939843636.db2.gz MEVJYYJTUMVUQK-QGZVFWFLSA-N 0 1 408.571 4.236 20 0 HIADMN CC(C)n1cc([C@@H](C)NCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cn1 ZINC000542574414 939845429 /nfs/dbraw/zinc/84/54/29/939845429.db2.gz PWNGWSPCHBDCLE-OAHLLOKOSA-N 0 1 411.531 4.067 20 0 HIADMN COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccnn3Cc3cccs3)c(C)c2c1 ZINC000542581575 939846078 /nfs/dbraw/zinc/84/60/78/939846078.db2.gz PBSOXJYGDFOHOF-OAHLLOKOSA-N 0 1 424.526 4.345 20 0 HIADMN CCOCc1ccc(CNC(=O)CN[C@@H](C)c2oc3ccc(OC)cc3c2C)cc1 ZINC000542581695 939846080 /nfs/dbraw/zinc/84/60/80/939846080.db2.gz HUUXOAVXSPEYQI-KRWDZBQOSA-N 0 1 410.514 4.253 20 0 HIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)N1CCc2ccccc2C1 ZINC000542583582 939846226 /nfs/dbraw/zinc/84/62/26/939846226.db2.gz NYAKTRAYEIKGHX-HNNXBMFYSA-N 0 1 409.530 4.493 20 0 HIADMN COc1ccc2oc([C@H](C)N[C@H](C)C(=O)Nc3cccc(NC(C)=O)c3)c(C)c2c1 ZINC000542583732 939846251 /nfs/dbraw/zinc/84/62/51/939846251.db2.gz VUWSUZYMCUIFMS-LSDHHAIUSA-N 0 1 409.486 4.386 20 0 HIADMN COc1ccc(CCN[C@H](C)c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000542614822 939848717 /nfs/dbraw/zinc/84/87/17/939848717.db2.gz KYKVWZWRABMMHO-CYBMUJFWSA-N 0 1 402.292 4.401 20 0 HIADMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CCN1C ZINC000542642658 939851200 /nfs/dbraw/zinc/85/12/00/939851200.db2.gz LZWHSCQSPSDGGT-OLZOCXBDSA-N 0 1 424.423 4.107 20 0 HIADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2cccc3c2OCCCO3)cc1 ZINC000542666582 939852761 /nfs/dbraw/zinc/85/27/61/939852761.db2.gz OOQXPVBHZSWWLU-RBBKRZOGSA-N 0 1 415.555 4.031 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)ccc1OC(C)C ZINC000542671324 939853014 /nfs/dbraw/zinc/85/30/14/939853014.db2.gz PVTSWWOECZFAFP-QZTJIDSGSA-N 0 1 405.560 4.304 20 0 HIADMN O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000542672619 939853153 /nfs/dbraw/zinc/85/31/53/939853153.db2.gz UNMQXALZJBILDX-JOCHJYFZSA-N 0 1 418.884 4.410 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(COCC(F)(F)F)cc2)cc1 ZINC000542672238 939853206 /nfs/dbraw/zinc/85/32/06/939853206.db2.gz XDQGRZXTAQTRKO-MRXNPFEDSA-N 0 1 415.477 4.026 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000542704267 939855501 /nfs/dbraw/zinc/85/55/01/939855501.db2.gz CMUOSKFYSMJSBH-GKCIPKSASA-N 0 1 411.926 4.070 20 0 HIADMN CCn1c(SCc2nc3ccc(Br)cc3[nH]2)nnc1-c1cccnc1 ZINC000542713000 939856077 /nfs/dbraw/zinc/85/60/77/939856077.db2.gz YCMAFEWYEQJXDY-UHFFFAOYSA-N 0 1 415.320 4.291 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1cccs1 ZINC000542727179 939857334 /nfs/dbraw/zinc/85/73/34/939857334.db2.gz GOHNPOUEBSIYEU-OAHLLOKOSA-N 0 1 412.563 4.051 20 0 HIADMN Cc1[nH]c(SCC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)nc1Cc1ccccc1 ZINC000542741502 939858535 /nfs/dbraw/zinc/85/85/35/939858535.db2.gz MEXHSMQSGBZTBT-KKSFZXQISA-N 0 1 406.555 4.406 20 0 HIADMN C[S@@](=O)C[C@H](NC(=O)c1cccc2nc(-c3cccs3)[nH]c21)c1ccccc1 ZINC000542765657 939859726 /nfs/dbraw/zinc/85/97/26/939859726.db2.gz PQKCDXGKAGFTKA-YMGMXPECSA-N 0 1 409.536 4.141 20 0 HIADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccn(Cc2ccccc2)c1 ZINC000542839916 939862320 /nfs/dbraw/zinc/86/23/20/939862320.db2.gz QKMVWLLYQNZANW-UHFFFAOYSA-N 0 1 422.286 4.336 20 0 HIADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000542883587 939865116 /nfs/dbraw/zinc/86/51/16/939865116.db2.gz UOSSORZEOLUOHX-LRDDRELGSA-N 0 1 409.317 4.083 20 0 HIADMN COC(=O)[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000542883587 939865117 /nfs/dbraw/zinc/86/51/17/939865117.db2.gz UOSSORZEOLUOHX-LRDDRELGSA-N 0 1 409.317 4.083 20 0 HIADMN CCc1ccc([C@@H](CO)NCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000542911727 939876578 /nfs/dbraw/zinc/87/65/78/939876578.db2.gz MWEXGTQPASASIX-RPWUZVMVSA-N 0 1 410.558 4.025 20 0 HIADMN CCc1ccc([C@H](CO)NCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000542913496 939876777 /nfs/dbraw/zinc/87/67/77/939876777.db2.gz DXJQLOYKMYQCEA-FTJBHMTQSA-N 0 1 414.549 4.046 20 0 HIADMN CC(C)[C@@H](NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000542920820 939877813 /nfs/dbraw/zinc/87/78/13/939877813.db2.gz TYYXHIFGWCUZQB-GAJHUEQPSA-N 0 1 417.956 4.409 20 0 HIADMN CCN(CC)C(=O)CCC1CCN(CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000542943565 939883071 /nfs/dbraw/zinc/88/30/71/939883071.db2.gz NMKLKZVVWXMKLZ-FQEVSTJZSA-N 0 1 423.601 4.378 20 0 HIADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542996228 939893054 /nfs/dbraw/zinc/89/30/54/939893054.db2.gz TZSXQSYCQSVTCW-SFHVURJKSA-N 0 1 419.378 4.448 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1F ZINC000543032523 939899230 /nfs/dbraw/zinc/89/92/30/939899230.db2.gz QYPFSGIBMVVBBA-UHFFFAOYSA-N 0 1 410.467 4.130 20 0 HIADMN CCOc1ccc(C(C)(C)C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OCC ZINC000543044119 939907387 /nfs/dbraw/zinc/90/73/87/939907387.db2.gz DYNDHJBAHSJSSC-IBGZPJMESA-N 0 1 414.546 4.308 20 0 HIADMN COC(=O)COc1ccc(CN[C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000543074592 939926454 /nfs/dbraw/zinc/92/64/54/939926454.db2.gz VGNJZLOVTZAGJB-VWLOTQADSA-N 0 1 405.494 4.435 20 0 HIADMN Cc1ncc([C@H](C)N[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)n1 ZINC000543089065 939937046 /nfs/dbraw/zinc/93/70/46/939937046.db2.gz OCGGUNRKHSAYLV-JBZDTAIVSA-N 0 1 404.917 4.287 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NCc2cc(F)cc3c2OCOC3)c1 ZINC000543149283 939972249 /nfs/dbraw/zinc/97/22/49/939972249.db2.gz KTYVOVUWEVAXIL-UHFFFAOYSA-N 0 1 420.484 4.254 20 0 HIADMN C[C@@H]1C[C@@H](CCNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCO1 ZINC000543195453 939991995 /nfs/dbraw/zinc/99/19/95/939991995.db2.gz FJZWBUNGEVEIDP-MSOLQXFVSA-N 0 1 407.986 4.056 20 0 HIADMN Cc1nn(-c2ccncc2)cc1CNc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000543235430 940003261 /nfs/dbraw/zinc/00/32/61/940003261.db2.gz ZPSCEFBVLNYFSR-UHFFFAOYSA-N 0 1 412.419 4.451 20 0 HIADMN O[C@@H](COCc1cccs1)CN1CCC[C@@H]1c1ccc(Br)s1 ZINC000543247997 940007225 /nfs/dbraw/zinc/00/72/25/940007225.db2.gz LVAPXIKNJYJGPA-TZMCWYRMSA-N 0 1 402.379 4.287 20 0 HIADMN Cc1cc(C)cc([C@@H]2CCN(Cc3csc(-c4c(C)c(C)nn(C)c4=O)n3)C2)c1 ZINC000543248004 940007688 /nfs/dbraw/zinc/00/76/88/940007688.db2.gz MCJNRDBESSCFJV-GOSISDBHSA-N 0 1 408.571 4.127 20 0 HIADMN O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000543255082 940009798 /nfs/dbraw/zinc/00/97/98/940009798.db2.gz HMXMACZSQIEBGV-UHFFFAOYSA-N 0 1 422.441 4.244 20 0 HIADMN COc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1OC1CCCC1 ZINC000543257382 940010689 /nfs/dbraw/zinc/01/06/89/940010689.db2.gz XJYRDIQPQDQWBG-UHFFFAOYSA-N 0 1 423.557 4.016 20 0 HIADMN CC(C)N1CCc2nc(NC(=O)c3cn[nH]c3-c3cccc(Cl)c3)sc2C1 ZINC000543319452 940028236 /nfs/dbraw/zinc/02/82/36/940028236.db2.gz MKSYVPIYNKSSLB-UHFFFAOYSA-N 0 1 401.923 4.205 20 0 HIADMN Cc1cc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)nn1[C@@H](C)C1CC1 ZINC000543319482 940028651 /nfs/dbraw/zinc/02/86/51/940028651.db2.gz NQNBAYAVFQVDJB-INIZCTEOSA-N 0 1 419.533 4.359 20 0 HIADMN Cc1cc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)ccc1OCCO ZINC000543326735 940032382 /nfs/dbraw/zinc/03/23/82/940032382.db2.gz PMABSHCZWQWRPQ-UHFFFAOYSA-N 0 1 404.510 4.250 20 0 HIADMN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000543332325 940033394 /nfs/dbraw/zinc/03/33/94/940033394.db2.gz OUOIZRLHSXRQAT-HXUWFJFHSA-N 0 1 415.537 4.007 20 0 HIADMN O=C(NCCCc1ccc(O)cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000543346050 940037251 /nfs/dbraw/zinc/03/72/51/940037251.db2.gz BDKJUNKQFFXYTL-LJQANCHMSA-N 0 1 411.550 4.080 20 0 HIADMN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000543353197 940039585 /nfs/dbraw/zinc/03/95/85/940039585.db2.gz HLLHMJCFEKBPLP-LKUPVBHCSA-N 0 1 401.514 4.294 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000543388346 940048645 /nfs/dbraw/zinc/04/86/45/940048645.db2.gz WGTSKLWBOGHKEX-SANMLTNESA-N 0 1 414.549 4.402 20 0 HIADMN Cc1cccc([C@@H](CN[C@H](c2cccnc2)c2ccc(F)cc2F)N2CCOCC2)c1 ZINC000543405642 940054495 /nfs/dbraw/zinc/05/44/95/940054495.db2.gz BIPMZXCEZYXREJ-JWQCQUIFSA-N 0 1 423.507 4.421 20 0 HIADMN COc1ccccc1[C@@H](CN[C@H](c1ccc(F)cc1)c1cnccn1)N1CCCC1 ZINC000543406917 940055242 /nfs/dbraw/zinc/05/52/42/940055242.db2.gz AJENCJSMYBAQRS-ISKFKSNPSA-N 0 1 406.505 4.140 20 0 HIADMN CCc1noc(-c2ccc(CCN[C@H](c3ccc(F)cc3)c3cnccn3)cc2)n1 ZINC000543424577 940060898 /nfs/dbraw/zinc/06/08/98/940060898.db2.gz BKYUTDYSOVAJMC-JOCHJYFZSA-N 0 1 403.461 4.150 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000543426957 940060902 /nfs/dbraw/zinc/06/09/02/940060902.db2.gz PKDPPJBJESPTLM-UTKZUKDTSA-N 0 1 420.582 4.279 20 0 HIADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000543432162 940062831 /nfs/dbraw/zinc/06/28/31/940062831.db2.gz HEGPHHUKRSTMHX-NDXORKPFSA-N 0 1 416.529 4.397 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)Nc1c(C)cccc1Cl ZINC000543458477 940068631 /nfs/dbraw/zinc/06/86/31/940068631.db2.gz FJOWUEDIUMQVBN-LLVKDONJSA-N 0 1 402.848 4.313 20 0 HIADMN CC[C@H](NCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000543457706 940068688 /nfs/dbraw/zinc/06/86/88/940068688.db2.gz PIETVFANMUMZPZ-PGRDOPGGSA-N 0 1 414.550 4.184 20 0 HIADMN CCc1ccc([C@H](C)NC(=O)CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000543459239 940069323 /nfs/dbraw/zinc/06/93/23/940069323.db2.gz XFHOJJQWGLOHHU-UONOGXRCSA-N 0 1 410.484 4.153 20 0 HIADMN Cc1c([C@H](C)NCC(=O)N(C)Cc2ccc(Cl)s2)cnn1-c1ccc(F)cc1 ZINC000543473715 940075681 /nfs/dbraw/zinc/07/56/81/940075681.db2.gz KXPLVZMVQHLEFI-ZDUSSCGKSA-N 0 1 420.941 4.344 20 0 HIADMN C[C@@H](NCCCCOc1ccccc1C(F)(F)F)c1nnnn1-c1ccccc1 ZINC000543499795 940086027 /nfs/dbraw/zinc/08/60/27/940086027.db2.gz RRNCMBJCNRGURS-OAHLLOKOSA-N 0 1 405.424 4.191 20 0 HIADMN COc1ccc2oc([C@H](C)NCC(=O)NCCCOc3ccccc3F)c(C)c2c1 ZINC000543513809 940091868 /nfs/dbraw/zinc/09/18/68/940091868.db2.gz WJDDMVHQIIMGBW-INIZCTEOSA-N 0 1 414.477 4.125 20 0 HIADMN CCOc1cccc2cc([C@@H](C)NCC(=O)N(C)Cc3ccc(OC)c(F)c3)oc21 ZINC000543517621 940093218 /nfs/dbraw/zinc/09/32/18/940093218.db2.gz DSSZTPNKLBFBTO-OAHLLOKOSA-N 0 1 414.477 4.288 20 0 HIADMN CCC[C@@H](CNC(=O)CN[C@@H](C)c1cnn(C)c1C)c1ccc(Cl)cc1Cl ZINC000543519164 940094372 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HIADMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438357996 863823038 /nfs/dbraw/zinc/82/30/38/863823038.db2.gz MXHNYVROUCHAHK-XKQJLSEDSA-N 0 1 402.285 4.056 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000438416509 863856233 /nfs/dbraw/zinc/85/62/33/863856233.db2.gz FGTMTHVEIFTEOG-JJRVBVJISA-N 0 1 422.357 4.111 20 0 HIADMN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438429301 863861830 /nfs/dbraw/zinc/86/18/30/863861830.db2.gz ATWKIURZEGEBCY-QLFBSQMISA-N 0 1 406.433 4.203 20 0 HIADMN O=C(C[C@H]1CCc2ccccc2C1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438436663 863865528 /nfs/dbraw/zinc/86/55/28/863865528.db2.gz GGINVLBHLZBLSX-VBKZILBWSA-N 0 1 414.431 4.224 20 0 HIADMN CSCc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438442409 863868064 /nfs/dbraw/zinc/86/80/64/863868064.db2.gz CKHKBEFXMARGMJ-MRXNPFEDSA-N 0 1 406.433 4.206 20 0 HIADMN O=C(CCc1cc(Cl)cs1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438441251 863868502 /nfs/dbraw/zinc/86/85/02/863868502.db2.gz XXGFDSPFYQDYHK-HNNXBMFYSA-N 0 1 414.840 4.377 20 0 HIADMN CC(C)(C)c1nc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cs1 ZINC000438443228 863869390 /nfs/dbraw/zinc/86/93/90/863869390.db2.gz MPDIHLBJERZEOS-ZDUSSCGKSA-N 0 1 409.437 4.097 20 0 HIADMN Cc1cccc(CSCC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000438452171 863876121 /nfs/dbraw/zinc/87/61/21/863876121.db2.gz BUQFHEOICBHZFT-GOSISDBHSA-N 0 1 420.460 4.271 20 0 HIADMN COc1ccc([C@H](C)CC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438458030 863880876 /nfs/dbraw/zinc/88/08/76/863880876.db2.gz HHBGAVQWPWYZMH-BFUOFWGJSA-N 0 1 418.419 4.232 20 0 HIADMN O=C(c1n[nH]c(-c2ccccc2)c1Br)N1CCS[C@@H]2CCCC[C@H]21 ZINC000438477131 863894088 /nfs/dbraw/zinc/89/40/88/863894088.db2.gz RKSBBVJVKXIRGJ-ZIAGYGMSSA-N 0 1 406.349 4.339 20 0 HIADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(-c4ncc(C(C)C)o4)cc3)CC2)c1 ZINC000438504423 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416.543 4.412 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](c1ccccc1)C(C)C ZINC000438644755 864082713 /nfs/dbraw/zinc/08/27/13/864082713.db2.gz CITWBDFVDOQRJF-QHCPKHFHSA-N 0 1 410.562 4.356 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000438655330 864097726 /nfs/dbraw/zinc/09/77/26/864097726.db2.gz LWMYAYBTPITQKL-FQEVSTJZSA-N 0 1 424.589 4.240 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCc2sccc2[C@@H]1C ZINC000438661432 864110735 /nfs/dbraw/zinc/11/07/35/864110735.db2.gz OHPVRKMLDNFSES-INIZCTEOSA-N 0 1 414.575 4.050 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC2(C1)CCCCC2 ZINC000438664852 864115418 /nfs/dbraw/zinc/11/54/18/864115418.db2.gz NNCDUIZHKYIQTP-UHFFFAOYSA-N 0 1 400.567 4.025 20 0 HIADMN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC000438714286 864197480 /nfs/dbraw/zinc/19/74/80/864197480.db2.gz HUYUGRBYIABYRJ-UHFFFAOYSA-N 0 1 418.858 4.115 20 0 HIADMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000438757392 864251382 /nfs/dbraw/zinc/25/13/82/864251382.db2.gz LFPOMAOQHWMQKF-UHFFFAOYSA-N 0 1 417.712 4.170 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000438848662 864343510 /nfs/dbraw/zinc/34/35/10/864343510.db2.gz GLZHCQOFHZEQSO-SFHVURJKSA-N 0 1 408.546 4.038 20 0 HIADMN Cc1ccc(OC(F)F)c(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000438850137 864345274 /nfs/dbraw/zinc/34/52/74/864345274.db2.gz UHZRRBRJYOGJBW-INIZCTEOSA-N 0 1 418.488 4.016 20 0 HIADMN CCOCc1ccc(NC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000438852665 864346669 /nfs/dbraw/zinc/34/66/69/864346669.db2.gz NNTVYEVAFFBCGI-OALUTQOASA-N 0 1 411.546 4.154 20 0 HIADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC000438861888 864355529 /nfs/dbraw/zinc/35/55/29/864355529.db2.gz SRYDGSIOSFXGTI-MOPGFXCFSA-N 0 1 412.603 4.297 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCSc3c(F)cccc32)CC1 ZINC000438867172 864360407 /nfs/dbraw/zinc/36/04/07/864360407.db2.gz XMAOGUHQHZVTBN-YWZLYKJASA-N 0 1 414.550 4.282 20 0 HIADMN COc1ccc([C@H](CNC(=O)[C@H]2C[C@]23CCc2ccccc23)N2CCCCC2)cc1 ZINC000438879236 864367993 /nfs/dbraw/zinc/36/79/93/864367993.db2.gz ZVYDRGZQPLROGO-USZFVNFHSA-N 0 1 404.554 4.243 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000438884916 864369614 /nfs/dbraw/zinc/36/96/14/864369614.db2.gz KFYQCCGXNUOVQW-GFCCVEGCSA-N 0 1 415.433 4.337 20 0 HIADMN Cc1nn(C)c(OCC(F)(F)F)c1CNCc1cc(Br)ccc1C ZINC000438904510 864384386 /nfs/dbraw/zinc/38/43/86/864384386.db2.gz NABHLGZXSQGKLS-UHFFFAOYSA-N 0 1 406.246 4.030 20 0 HIADMN C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(OC(F)F)c1 ZINC000438959657 864428598 /nfs/dbraw/zinc/42/85/98/864428598.db2.gz MIHDKYYTNDWQJL-CVEARBPZSA-N 0 1 418.488 4.269 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000438960194 864428748 /nfs/dbraw/zinc/42/87/48/864428748.db2.gz BNSBAABSJSSAMZ-LJQANCHMSA-N 0 1 408.590 4.446 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438968105 864434371 /nfs/dbraw/zinc/43/43/71/864434371.db2.gz NNTWTQAGWFYUGA-HNNXBMFYSA-N 0 1 422.451 4.005 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(C)cc1OC[C@H]1CCOC1 ZINC000438977308 864442106 /nfs/dbraw/zinc/44/21/06/864442106.db2.gz KIVABTMGJPVXNJ-MJGOQNOKSA-N 0 1 412.530 4.228 20 0 HIADMN O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000439013957 864465092 /nfs/dbraw/zinc/46/50/92/864465092.db2.gz FIZXHBJLHJLDFV-CGTJXYLNSA-N 0 1 420.351 4.405 20 0 HIADMN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000439017913 864469989 /nfs/dbraw/zinc/46/99/89/864469989.db2.gz CAQWUFPPBMNEEO-QGZVFWFLSA-N 0 1 421.545 4.417 20 0 HIADMN COc1ccc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000439027743 864482881 /nfs/dbraw/zinc/48/28/81/864482881.db2.gz OVYZXKGOVHVAKI-INIZCTEOSA-N 0 1 416.543 4.065 20 0 HIADMN C[C@H]1CC[C@H](CCC(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)O1 ZINC000439070408 864523370 /nfs/dbraw/zinc/52/33/70/864523370.db2.gz MJZMTALXYJNUSR-SQJMNOBHSA-N 0 1 421.585 4.291 20 0 HIADMN CCn1cc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(C(F)(F)F)n1 ZINC000439078919 864528359 /nfs/dbraw/zinc/52/83/59/864528359.db2.gz NLVWSVNDYYMKNG-AWEZNQCLSA-N 0 1 411.815 4.429 20 0 HIADMN COc1cc([C@@H](C)NCc2cc(Br)ccc2C)ccc1S(C)(=O)=O ZINC000439134180 864568323 /nfs/dbraw/zinc/56/83/23/864568323.db2.gz ULYXRYBMQUYVLD-CYBMUJFWSA-N 0 1 412.349 4.020 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)c3ccccc3)c2C1 ZINC000439155511 864587998 /nfs/dbraw/zinc/58/79/98/864587998.db2.gz BPLBFWSQSAGHPY-MOPGFXCFSA-N 0 1 421.585 4.468 20 0 HIADMN COCCCOc1cccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)c1 ZINC000439185031 864614069 /nfs/dbraw/zinc/61/40/69/864614069.db2.gz BPFNWESTBXORDN-UHFFFAOYSA-N 0 1 420.391 4.158 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000439194721 864620953 /nfs/dbraw/zinc/62/09/53/864620953.db2.gz XLQBMFTUGLJINY-LJQANCHMSA-N 0 1 424.589 4.283 20 0 HIADMN COc1ccc(Cl)cc1CN(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 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CC[C@@H](NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1nc(C)cs1 ZINC000446602330 870507187 /nfs/dbraw/zinc/50/71/87/870507187.db2.gz SMBDCBYZDQPORM-ZIAGYGMSSA-N 0 1 424.452 4.128 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N(Cc3ccccc3F)C3CC3)c2C1 ZINC000446606326 870510536 /nfs/dbraw/zinc/51/05/36/870510536.db2.gz VLLLSKMBHFNGNK-QGZVFWFLSA-N 0 1 423.532 4.316 20 0 HIADMN O=C(NCCn1c2ccccc2c2ccccc21)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000446649201 870562263 /nfs/dbraw/zinc/56/22/63/870562263.db2.gz SCUQMWKZGCJMCZ-QFIPXVFZSA-N 0 1 410.481 4.001 20 0 HIADMN O=C(N[C@@H]1COc2ccc(F)cc21)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000468472409 882428168 /nfs/dbraw/zinc/42/81/68/882428168.db2.gz YQOVJSZHMITJHO-IAGOWNOFSA-N 0 1 400.841 4.336 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@](C)(c3ccccc3)C2)c1 ZINC000446738091 870645938 /nfs/dbraw/zinc/64/59/38/870645938.db2.gz DSGFBKAYWYUFEW-CLOONOSVSA-N 0 1 407.558 4.159 20 0 HIADMN C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)cc1F ZINC000446745071 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CCOc1ccccc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000481301799 896646841 /nfs/dbraw/zinc/64/68/41/896646841.db2.gz AARLNRFLJQHUOU-RTBURBONSA-N 0 1 416.587 4.357 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000481301512 896647514 /nfs/dbraw/zinc/64/75/14/896647514.db2.gz PDUUOUGIANQIMX-MRXNPFEDSA-N 0 1 423.826 4.270 20 0 HIADMN CC(=O)c1cc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccc(C(F)(F)F)cc2)n(C)c1 ZINC000481306112 896653038 /nfs/dbraw/zinc/65/30/38/896653038.db2.gz HBWZBEIWHRYKNR-OXJNMPFZSA-N 0 1 421.463 4.059 20 0 HIADMN CC(C)CN(CC(=O)Nc1ccccc1N1CCCC1=O)[C@H]1CCCc2cccnc21 ZINC000481307701 896654207 /nfs/dbraw/zinc/65/42/07/896654207.db2.gz JZTOMTXKJXBMCY-QFIPXVFZSA-N 0 1 420.557 4.183 20 0 HIADMN CC(C)CN(CC(=O)Nc1ccnn1Cc1cccs1)[C@H]1CCCc2cccnc21 ZINC000481311121 896658521 /nfs/dbraw/zinc/65/85/21/896658521.db2.gz KSNBLYVEOZKZHK-FQEVSTJZSA-N 0 1 423.586 4.362 20 0 HIADMN COc1cccc(OC)c1Oc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000481328788 896686583 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Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000481837797 897204204 /nfs/dbraw/zinc/20/42/04/897204204.db2.gz GKBBWUHFPMQFTP-UHFFFAOYSA-N 0 1 421.994 4.227 20 0 HIADMN Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCC(C[NH+](C)C)CC2)cc(C)c1F ZINC000481848317 897215162 /nfs/dbraw/zinc/21/51/62/897215162.db2.gz NQHZNFYEKAIRJH-UHFFFAOYSA-N 0 1 419.566 4.021 20 0 HIADMN CC[C@H](Cc1ccccc1Br)N(C)CC(=O)Nc1ccccc1OC ZINC000481848324 897216033 /nfs/dbraw/zinc/21/60/33/897216033.db2.gz NSJYLDODENEESL-MRXNPFEDSA-N 0 1 405.336 4.349 20 0 HIADMN Cc1ccc(C(=O)CCCC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000481875434 897247009 /nfs/dbraw/zinc/24/70/09/897247009.db2.gz XSJKXFAQBWYUFI-NHCUHLMSSA-N 0 1 422.569 4.274 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(OCc4ccccn4)c(F)c3)[nH]n2)c1 ZINC000481877614 897251321 /nfs/dbraw/zinc/25/13/21/897251321.db2.gz YRHILHFRQYTNNS-UHFFFAOYSA-N 0 1 418.428 4.451 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000481883229 897255711 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HIADMN O=C1CCCc2cc(S(=O)(=O)Nc3cc(Cc4ccccc4)ccc3O)ccc2N1 ZINC000481977284 897370172 /nfs/dbraw/zinc/37/01/72/897370172.db2.gz DBZGTAFEBWSBAW-UHFFFAOYSA-N 0 1 422.506 4.059 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1cnc(-c2cnn(C)c2)s1)c1ccccc1Cl ZINC000481981376 897375967 /nfs/dbraw/zinc/37/59/67/897375967.db2.gz CWNQZHBGLBCUQJ-QGZVFWFLSA-N 0 1 417.966 4.010 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)Cc3c[nH]c4cccc(C)c34)CCN2C2CC2)c1 ZINC000481993866 897390093 /nfs/dbraw/zinc/39/00/93/897390093.db2.gz YKFRWMZBHSVRPF-DHLKQENFSA-N 0 1 403.526 4.122 20 0 HIADMN C[C@H](Cc1ccccc1C(F)(F)F)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000481994726 897392227 /nfs/dbraw/zinc/39/22/27/897392227.db2.gz XQPLCNTXGAYUCT-BDJLRTHQSA-N 0 1 415.253 4.215 20 0 HIADMN C[C@@H](Cc1ccccc1C(F)(F)F)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000481994728 897392374 /nfs/dbraw/zinc/39/23/74/897392374.db2.gz XQPLCNTXGAYUCT-MEDUHNTESA-N 0 1 415.253 4.215 20 0 HIADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(OCCC(C)C)cc2)c1 ZINC000482013233 897412441 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CCN(Cc1cccc(F)c1)C(=O)CN1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482873865 898486638 /nfs/dbraw/zinc/48/66/38/898486638.db2.gz MIYXTYKVLKIQKE-UHFFFAOYSA-N 0 1 408.521 4.169 20 0 HIADMN Cc1nc2ccccc2n1C1CCN(CC(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000482877960 898492192 /nfs/dbraw/zinc/49/21/92/898492192.db2.gz SHEKHWOBPVROET-IBGZPJMESA-N 0 1 404.558 4.037 20 0 HIADMN Cc1nc2ccccc2n1C1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000482892621 898511371 /nfs/dbraw/zinc/51/13/71/898511371.db2.gz BYQNGRRLPPBMBH-QGZVFWFLSA-N 0 1 408.521 4.340 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)n2)cc1 ZINC000482894056 898512867 /nfs/dbraw/zinc/51/28/67/898512867.db2.gz ICGAHOGAJOCDAH-SJORKVTESA-N 0 1 410.518 4.464 20 0 HIADMN Cc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000482898341 898517002 /nfs/dbraw/zinc/51/70/02/898517002.db2.gz PCQMVZXZOVUQEM-MOPGFXCFSA-N 0 1 404.558 4.290 20 0 HIADMN CCC[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)c2ccccc2)C1)c1ccccc1 ZINC000482902347 898520559 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COc1cc(NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)c(OC)cc1Cl ZINC000538120234 938508622 /nfs/dbraw/zinc/50/86/22/938508622.db2.gz UOODTGATKMLZNH-LLVKDONJSA-N 0 1 414.836 4.248 20 0 HIADMN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)C(C)C)cc1 ZINC000538119947 938508756 /nfs/dbraw/zinc/50/87/56/938508756.db2.gz YFVHBRNKDRXQTQ-VFNWGFHPSA-N 0 1 406.473 4.461 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2ccccc2OC(C)C)c1 ZINC000538123409 938509992 /nfs/dbraw/zinc/50/99/92/938509992.db2.gz OOWUCHWDAYJFES-GOSISDBHSA-N 0 1 411.546 4.245 20 0 HIADMN CC(C)Oc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000538123903 938510509 /nfs/dbraw/zinc/51/05/09/938510509.db2.gz DQUQCNSGEDRWET-MSOLQXFVSA-N 0 1 409.530 4.278 20 0 HIADMN CC[C@H](NC(=O)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000538124376 938510750 /nfs/dbraw/zinc/51/07/50/938510750.db2.gz FCFWMCMTJINLKB-KDOFPFPSSA-N 0 1 420.937 4.284 20 0 HIADMN COc1cc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC ZINC000538126319 938511382 /nfs/dbraw/zinc/51/13/82/938511382.db2.gz ZVSBPPGEKKQNNT-NSHDSACASA-N 0 1 413.301 4.309 20 0 HIADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000538128583 938513094 /nfs/dbraw/zinc/51/30/94/938513094.db2.gz NZOYKMGJSSZGGD-RDJZCZTQSA-N 0 1 419.529 4.125 20 0 HIADMN COc1cccc([C@H](C)NCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 ZINC000538130203 938514994 /nfs/dbraw/zinc/51/49/94/938514994.db2.gz QSDXIBJVMJSREO-BXKMTCNYSA-N 0 1 412.530 4.021 20 0 HIADMN COC(=O)c1ccc([C@@H](C)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)o1 ZINC000538136474 938516507 /nfs/dbraw/zinc/51/65/07/938516507.db2.gz KVGHHFNRHKHXEM-CWTRNNRKSA-N 0 1 402.878 4.229 20 0 HIADMN C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccccc1OC(F)F ZINC000538143185 938519204 /nfs/dbraw/zinc/51/92/04/938519204.db2.gz FOIGAUCGNMWZQU-LBPRGKRZSA-N 0 1 406.351 4.123 20 0 HIADMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1OC)c1ccccc1OC(F)F ZINC000538150690 938523141 /nfs/dbraw/zinc/52/31/41/938523141.db2.gz FHUPKCDJBUVXSP-XJKSGUPXSA-N 0 1 408.445 4.373 20 0 HIADMN C[C@H](NCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)c1ccc(NC(=O)C2CC2)cc1 ZINC000538151168 938523827 /nfs/dbraw/zinc/52/38/27/938523827.db2.gz OSSXVCKNTUPZPY-ROUUACIJSA-N 0 1 419.569 4.442 20 0 HIADMN C[C@@H](N[C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)NCc1ccccc1F ZINC000538153554 938525204 /nfs/dbraw/zinc/52/52/04/938525204.db2.gz UXJRDMWDXYVLMH-QZTJIDSGSA-N 0 1 407.489 4.155 20 0 HIADMN COc1cc([C@H](C)NCC(=O)Nc2ccnn2C2CCCC2)ccc1OC(C)C ZINC000538153505 938525298 /nfs/dbraw/zinc/52/52/98/938525298.db2.gz SONIWYCQEJCLGU-INIZCTEOSA-N 0 1 400.523 4.083 20 0 HIADMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000538159553 938529629 /nfs/dbraw/zinc/52/96/29/938529629.db2.gz PNAXXLKEDFORSN-HXUWFJFHSA-N 0 1 415.969 4.191 20 0 HIADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000538162974 938531368 /nfs/dbraw/zinc/53/13/68/938531368.db2.gz HEHQIXANSHYFCO-SFHVURJKSA-N 0 1 411.546 4.245 20 0 HIADMN COc1cccc(CN(C)C(=O)CN[C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000538166688 938532652 /nfs/dbraw/zinc/53/26/52/938532652.db2.gz BEUVTVPOFXWNHZ-QHCPKHFHSA-N 0 1 422.500 4.203 20 0 HIADMN CC[C@H](NCC(=O)Nc1ccc(Br)cc1C)c1ccc2c(c1)OCCO2 ZINC000538174715 938535508 /nfs/dbraw/zinc/53/55/08/938535508.db2.gz DXKNUWKEERYSPE-INIZCTEOSA-N 0 1 419.319 4.208 20 0 HIADMN CCOc1cccc([C@H](C)NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 ZINC000538176136 938536581 /nfs/dbraw/zinc/53/65/81/938536581.db2.gz TUEAZXHZVTUZFC-AWEZNQCLSA-N 0 1 404.894 4.189 20 0 HIADMN COc1cccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000538176191 938537164 /nfs/dbraw/zinc/53/71/64/938537164.db2.gz WTIJOZLLONFXBO-INIZCTEOSA-N 0 1 421.472 4.376 20 0 HIADMN O[C@H](CN[C@H](CC(F)(F)F)c1ccccc1)COc1cccc(Br)c1 ZINC000538176934 938537610 /nfs/dbraw/zinc/53/76/10/938537610.db2.gz XVFBENXEIXWRPC-NVXWUHKLSA-N 0 1 418.253 4.472 20 0 HIADMN COc1cccc(S(=O)(=O)CCN[C@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000538179770 938539947 /nfs/dbraw/zinc/53/99/47/938539947.db2.gz PXMBONIQXNWDDK-OAHLLOKOSA-N 0 1 416.568 4.252 20 0 HIADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000538195212 938548387 /nfs/dbraw/zinc/54/83/87/938548387.db2.gz SUWVHJZEILSJGH-MAUKXSAKSA-N 0 1 402.560 4.260 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3ccc(Cl)cc3C)ccc2NC1=O ZINC000538196047 938549264 /nfs/dbraw/zinc/54/92/64/938549264.db2.gz WJNOKLILINUCHN-ACJLOTCBSA-N 0 1 401.894 4.047 20 0 HIADMN CC[C@@H](C)[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000538199230 938551614 /nfs/dbraw/zinc/55/16/14/938551614.db2.gz YIYYDVXGAZQBPN-JLTOFOAXSA-N 0 1 408.951 4.059 20 0 HIADMN CCSc1ccc([C@@H](C)NCC(=O)Nc2nc(CN3CCCC3)cs2)cc1 ZINC000538201566 938552215 /nfs/dbraw/zinc/55/22/15/938552215.db2.gz PDVWFDOKEYXLDB-OAHLLOKOSA-N 0 1 404.605 4.140 20 0 HIADMN O=C(NC[C@H]1CCCO1)c1cccc(CN[C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000538205416 938553994 /nfs/dbraw/zinc/55/39/94/938553994.db2.gz GIKCQZXKGWZXFS-CTNGQTDRSA-N 0 1 414.933 4.252 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000538209343 938556870 /nfs/dbraw/zinc/55/68/70/938556870.db2.gz BNUNLQBBSPZIGZ-HSZRJFAPSA-N 0 1 423.463 4.435 20 0 HIADMN COc1ccc([C@@H]2CCCN2C(=O)CNC2(c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000538215813 938559809 /nfs/dbraw/zinc/55/98/09/938559809.db2.gz LPVSTVQXCVIDRK-FQEVSTJZSA-N 0 1 414.933 4.300 20 0 HIADMN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2CN2CCC(O)CC2)c1 ZINC000538219384 938562036 /nfs/dbraw/zinc/56/20/36/938562036.db2.gz CUAKJURFTJYGOO-IBGZPJMESA-N 0 1 410.558 4.481 20 0 HIADMN C[C@H](NCC(=O)NCCc1cccc2cccnc21)c1ccc(OCC2CC2)c(F)c1 ZINC000538224276 938564070 /nfs/dbraw/zinc/56/40/70/938564070.db2.gz TZPYTAKNPGNTHV-KRWDZBQOSA-N 0 1 421.516 4.172 20 0 HIADMN O=C(c1ccccc1Oc1ccc(Cl)cc1Cl)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000538225074 938564400 /nfs/dbraw/zinc/56/44/00/938564400.db2.gz SPSAOICCLVQBNU-LBPRGKRZSA-N 0 1 418.284 4.319 20 0 HIADMN COC[C@H](NCC[S@](=O)c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1 ZINC000538225391 938564978 /nfs/dbraw/zinc/56/49/78/938564978.db2.gz UZGKKVGNCKSQSI-LMKMVOKYSA-N 0 1 408.297 4.357 20 0 HIADMN C[C@@H](NCC(=O)Nc1nnc(C(C)(C)C)s1)c1ccc(OCC2CC2)c(F)c1 ZINC000538227152 938565861 /nfs/dbraw/zinc/56/58/61/938565861.db2.gz GIROREDXLFWXSM-GFCCVEGCSA-N 0 1 406.527 4.053 20 0 HIADMN C[C@H](NCC(=O)Nc1nc(-c2cccs2)cs1)c1ccc(-n2cccn2)cc1 ZINC000538238147 938570551 /nfs/dbraw/zinc/57/05/51/938570551.db2.gz CPQKKCWRLFLSPD-AWEZNQCLSA-N 0 1 409.540 4.347 20 0 HIADMN C[C@@H](NCC(=O)NCc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F ZINC000538259272 938576932 /nfs/dbraw/zinc/57/69/32/938576932.db2.gz CXZLFHKTDKTRQH-GFCCVEGCSA-N 0 1 402.363 4.274 20 0 HIADMN Cc1cc([C@@H](C)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C)s1 ZINC000538268517 938579404 /nfs/dbraw/zinc/57/94/04/938579404.db2.gz JHXODUFBHMPEHN-DNVCBOLYSA-N 0 1 400.544 4.150 20 0 HIADMN C[C@H](NCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000538269784 938579751 /nfs/dbraw/zinc/57/97/51/938579751.db2.gz WHUOVKZHLFYNAC-ADSBAMQRSA-N 0 1 420.578 4.323 20 0 HIADMN CCOc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000538269334 938579777 /nfs/dbraw/zinc/57/97/77/938579777.db2.gz ZCMHWQKHHIVOAX-JKSUJKDBSA-N 0 1 410.493 4.396 20 0 HIADMN CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000538268803 938579995 /nfs/dbraw/zinc/57/99/95/938579995.db2.gz OGJUKRLJPDJAIE-JKSUJKDBSA-N 0 1 410.493 4.396 20 0 HIADMN C[C@@H](CCO)C1(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000538289425 938583905 /nfs/dbraw/zinc/58/39/05/938583905.db2.gz DSJPVRUEAMXJFU-SFHVURJKSA-N 0 1 422.013 4.040 20 0 HIADMN C[C@H]1CCCN(C(=O)C2CCN(CCc3cc(Cl)c4c(c3)OCCCO4)CC2)C1 ZINC000538313644 938590414 /nfs/dbraw/zinc/59/04/14/938590414.db2.gz PONQZXRFTHRSTA-KRWDZBQOSA-N 0 1 420.981 4.014 20 0 HIADMN CCOc1cc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)nc2nc(C(F)(F)F)nn21 ZINC000538323997 938592537 /nfs/dbraw/zinc/59/25/37/938592537.db2.gz WXVIIWRHUNTJEM-KRWDZBQOSA-N 0 1 423.414 4.230 20 0 HIADMN CC(=O)Nc1ccccc1CNCc1cccc(C(=O)NCc2ccc(C)cc2)c1 ZINC000538327380 938594263 /nfs/dbraw/zinc/59/42/63/938594263.db2.gz TZWGTOALVSNRIV-UHFFFAOYSA-N 0 1 401.510 4.173 20 0 HIADMN CCC[C@@H]1CN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CCN1Cc1ccccc1 ZINC000538337039 938596655 /nfs/dbraw/zinc/59/66/55/938596655.db2.gz HLFVSMSHQDAPHF-OAQYLSRUSA-N 0 1 424.545 4.172 20 0 HIADMN C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc2cc(Br)ccc2o1 ZINC000538409067 938613389 /nfs/dbraw/zinc/61/33/89/938613389.db2.gz COBCQTRHXKNCML-GWCFXTLKSA-N 0 1 419.241 4.399 20 0 HIADMN CCO[C@@H]1C[C@H](N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1(C)C ZINC000538409784 938613970 /nfs/dbraw/zinc/61/39/70/938613970.db2.gz WEUDUQLOJGJZTR-PWRODBHTSA-N 0 1 423.525 4.251 20 0 HIADMN CCC[C@H]1CN(C(=O)c2cnc3c(C)cc(F)cc3c2O)CCN1Cc1ccccc1 ZINC000538423101 938617042 /nfs/dbraw/zinc/61/70/42/938617042.db2.gz XXMXTLQRVDBFTJ-FQEVSTJZSA-N 0 1 421.516 4.102 20 0 HIADMN CCN(Cc1ccccc1Br)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000538501937 938637053 /nfs/dbraw/zinc/63/70/53/938637053.db2.gz OLKGIHBKUFGWRE-MRXNPFEDSA-N 0 1 410.381 4.345 20 0 HIADMN C[C@H](CC(=O)N(Cc1ccco1)C1CCN(C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000538574475 938653053 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4.111 20 0 HIADMN CCCCCc1nnc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)s1 ZINC000538622588 938664338 /nfs/dbraw/zinc/66/43/38/938664338.db2.gz BHRZWKAHYUBSEL-HNNXBMFYSA-N 0 1 411.535 4.425 20 0 HIADMN CCCCCc1nnc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)s1 ZINC000538622588 938664341 /nfs/dbraw/zinc/66/43/41/938664341.db2.gz BHRZWKAHYUBSEL-HNNXBMFYSA-N 0 1 411.535 4.425 20 0 HIADMN Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538641930 938670494 /nfs/dbraw/zinc/67/04/94/938670494.db2.gz ISWIZINCQMNKIS-QGZVFWFLSA-N 0 1 423.517 4.358 20 0 HIADMN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538643357 938670947 /nfs/dbraw/zinc/67/09/47/938670947.db2.gz LRCPFIGYQYGKKG-LJQANCHMSA-N 0 1 418.545 4.366 20 0 HIADMN CCOc1ncc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1Cl ZINC000538647100 938672441 /nfs/dbraw/zinc/67/24/41/938672441.db2.gz MLRZNRBAPKTOGH-OAHLLOKOSA-N 0 1 417.941 4.319 20 0 HIADMN CCOc1ccc(OCC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 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20 0 HIADMN COCC(C)(C)CN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000426396166 856274737 /nfs/dbraw/zinc/27/47/37/856274737.db2.gz OOEBYZGMBOZNQS-INIZCTEOSA-N 0 1 408.340 4.232 20 0 HIADMN CCOC(=O)COc1ccc(CN[C@H]2CSc3ccc(Br)cc32)cc1 ZINC000426556483 856346466 /nfs/dbraw/zinc/34/64/66/856346466.db2.gz OCSSZVSTGMTOIK-KRWDZBQOSA-N 0 1 422.344 4.328 20 0 HIADMN CCCc1nc(C)c(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)o1 ZINC000426603696 856369737 /nfs/dbraw/zinc/36/97/37/856369737.db2.gz DFWMYHMXCBSFEN-UHFFFAOYSA-N 0 1 415.251 4.200 20 0 HIADMN C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1CCC(Cn2cncn2)CC1 ZINC000426726224 856436851 /nfs/dbraw/zinc/43/68/51/856436851.db2.gz IBCRJGSMXWNJFD-GFCCVEGCSA-N 0 1 407.305 4.108 20 0 HIADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)cc2c1OCC2 ZINC000426747784 856451644 /nfs/dbraw/zinc/45/16/44/856451644.db2.gz RVAODWZVEVMTRA-HNNXBMFYSA-N 0 1 420.962 4.008 20 0 HIADMN CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000426765638 856466034 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HIADMN CCN(C[C@H]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)C1)CC(F)(F)F ZINC000427259080 856740186 /nfs/dbraw/zinc/74/01/86/856740186.db2.gz DTNNGIFDDWAQBN-MRXNPFEDSA-N 0 1 408.468 4.040 20 0 HIADMN CSc1ncc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000437469716 862831089 /nfs/dbraw/zinc/83/10/89/862831089.db2.gz HHEZYYLHTLFMKY-IBGZPJMESA-N 0 1 420.582 4.331 20 0 HIADMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)c1 ZINC000427345215 856783469 /nfs/dbraw/zinc/78/34/69/856783469.db2.gz DTPOSPQLFWRXSV-UHFFFAOYSA-N 0 1 420.874 4.281 20 0 HIADMN CCN(CCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)CCC(F)(F)F ZINC000427422186 856813956 /nfs/dbraw/zinc/81/39/56/856813956.db2.gz UBAXXFDDLVUAFE-UHFFFAOYSA-N 0 1 419.900 4.397 20 0 HIADMN COc1ccccc1-c1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C3CC3)C2)n1 ZINC000427442367 856821757 /nfs/dbraw/zinc/82/17/57/856821757.db2.gz GEIYNYKUUNMWNZ-JXFKEZNVSA-N 0 1 411.571 4.152 20 0 HIADMN COCCN(C(=O)c1cc(-c2ccc(C)cc2C)n[nH]1)c1ccc(OC)c(OC)c1 ZINC000427509736 856845246 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CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC000429416584 857654099 /nfs/dbraw/zinc/65/40/99/857654099.db2.gz ITDKKMLKBADOFY-CQSZACIVSA-N 0 1 423.966 4.124 20 0 HIADMN Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000429418915 857656502 /nfs/dbraw/zinc/65/65/02/857656502.db2.gz PHQARHRVWVOXJJ-GFCCVEGCSA-N 0 1 407.421 4.314 20 0 HIADMN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc(OC(F)(F)F)c1 ZINC000429426457 857660891 /nfs/dbraw/zinc/66/08/91/857660891.db2.gz GIUATJZVELHSHV-LLVKDONJSA-N 0 1 407.841 4.493 20 0 HIADMN COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc3cc(C)c(C)cc3o2)cc1 ZINC000429429225 857661900 /nfs/dbraw/zinc/66/19/00/857661900.db2.gz SLEILVYKSPCBCZ-KRWDZBQOSA-N 0 1 401.528 4.321 20 0 HIADMN COCCS(=O)(=O)c1ccc(CN[C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000429429658 857662721 /nfs/dbraw/zinc/66/27/21/857662721.db2.gz WPPSKPURQNGEFG-GOSISDBHSA-N 0 1 414.354 4.191 20 0 HIADMN Cc1c([C@H](C)NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000429433970 857664603 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CCOC(=O)c1csc(C2CCN(Cc3c(C)nn(C(C)(C)C)c3C)CC2)n1 ZINC000433046961 859498822 /nfs/dbraw/zinc/49/88/22/859498822.db2.gz VWYMYQRFCOYESX-UHFFFAOYSA-N 0 1 404.580 4.268 20 0 HIADMN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N(C)C[C@H](O)Cc1ccccc1 ZINC000433063490 859505927 /nfs/dbraw/zinc/50/59/27/859505927.db2.gz SNQSRFNSTGRWKU-GBXCKJPGSA-N 0 1 402.538 4.140 20 0 HIADMN C[C@H](NC(=O)CN1CCC(CO)(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000433063961 859506024 /nfs/dbraw/zinc/50/60/24/859506024.db2.gz VHYIODPZOASOKI-FQEVSTJZSA-N 0 1 402.538 4.043 20 0 HIADMN COc1cc(-c2nnc(CN3CCC[C@@H](c4ccccc4)C3)o2)cc(OC)c1OC ZINC000433064810 859507566 /nfs/dbraw/zinc/50/75/66/859507566.db2.gz ZFOZSLOZROJHOJ-QGZVFWFLSA-N 0 1 409.486 4.142 20 0 HIADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC000433090350 859518624 /nfs/dbraw/zinc/51/86/24/859518624.db2.gz IGPGGGIBRDUVTQ-UHFFFAOYSA-N 0 1 415.844 4.111 20 0 HIADMN C[NH+](C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)cccc21 ZINC000433140244 859536443 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HIADMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C(F)(F)F)ccn3)CCN2C2CC2)c1 ZINC000434225015 860210294 /nfs/dbraw/zinc/21/02/94/860210294.db2.gz IQVQRLIVHNFJOG-IEBWSBKVSA-N 0 1 420.435 4.209 20 0 HIADMN COc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)c1 ZINC000434228598 860213170 /nfs/dbraw/zinc/21/31/70/860213170.db2.gz OCDSPQUVTUYYPK-FQEVSTJZSA-N 0 1 407.470 4.080 20 0 HIADMN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cc1 ZINC000434232096 860216650 /nfs/dbraw/zinc/21/66/50/860216650.db2.gz YDRRHNLUROWQDV-FQEVSTJZSA-N 0 1 407.470 4.080 20 0 HIADMN C[C@@H]1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CCN1Cc1ccccc1 ZINC000434246078 860226913 /nfs/dbraw/zinc/22/69/13/860226913.db2.gz PUZMSGNBUBZDME-GOSISDBHSA-N 0 1 417.509 4.013 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCC(F)(c2ccccc2)CC1 ZINC000434255209 860234030 /nfs/dbraw/zinc/23/40/30/860234030.db2.gz HJYDASFXQBYPKR-UHFFFAOYSA-N 0 1 413.512 4.461 20 0 HIADMN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000434257403 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418.419 4.309 20 0 HIADMN CC[C@@H](C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000438367368 863828402 /nfs/dbraw/zinc/82/84/02/863828402.db2.gz MQJVSLLFWKTFMP-QGZVFWFLSA-N 0 1 418.419 4.309 20 0 HIADMN CCOc1cc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1C ZINC000438421289 863858315 /nfs/dbraw/zinc/85/83/15/863858315.db2.gz OBAIWKBJKDNHDQ-KRWDZBQOSA-N 0 1 404.392 4.050 20 0 HIADMN Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438430849 863862333 /nfs/dbraw/zinc/86/23/33/863862333.db2.gz YOKVMTFOOYLSBY-SFHVURJKSA-N 0 1 413.403 4.441 20 0 HIADMN Cc1cc(C)c(CC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000438437843 863865854 /nfs/dbraw/zinc/86/58/54/863865854.db2.gz KOVKECOWTYSERI-LJQANCHMSA-N 0 1 402.420 4.197 20 0 HIADMN Cc1ccc2cc(C(=O)N[C@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000438442426 863868355 /nfs/dbraw/zinc/86/83/55/863868355.db2.gz CQCFZCDBXNJUJB-SFHVURJKSA-N 0 1 411.387 4.200 20 0 HIADMN Cc1cc(C)cc(CCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000438447611 863872643 /nfs/dbraw/zinc/87/26/43/863872643.db2.gz XMJXSKUJGUWMQP-IBGZPJMESA-N 0 1 402.420 4.279 20 0 HIADMN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000438448007 863873267 /nfs/dbraw/zinc/87/32/67/863873267.db2.gz PTXQVQHYSLWBPY-SFHLNBCPSA-N 0 1 419.504 4.446 20 0 HIADMN Cc1ccsc1CCCC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438450607 863874986 /nfs/dbraw/zinc/87/49/86/863874986.db2.gz OOKCAFMZOPKZFZ-KRWDZBQOSA-N 0 1 408.449 4.422 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(C2CCCCC2)n[nH]1 ZINC000438450921 863876550 /nfs/dbraw/zinc/87/65/50/863876550.db2.gz PUNBJHSLLITWEZ-QGZVFWFLSA-N 0 1 418.423 4.114 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1coc(C2CCCCC2)n1 ZINC000438457001 863880925 /nfs/dbraw/zinc/88/09/25/863880925.db2.gz HHFXSABKDDENEC-MRXNPFEDSA-N 0 1 419.407 4.379 20 0 HIADMN CN(Cc1ccccc1N1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438475178 863893019 /nfs/dbraw/zinc/89/30/19/863893019.db2.gz XKJWVTPKROYUBQ-HXUWFJFHSA-N 0 1 417.347 4.241 20 0 HIADMN COc1ccc([C@@H]2CCCN2C(=O)CN2CC[C@@](C)(c3ccccc3)C2)cc1OC ZINC000438487277 863904944 /nfs/dbraw/zinc/90/49/44/863904944.db2.gz SKTVWPUEAWSHPY-SQJMNOBHSA-N 0 1 408.542 4.031 20 0 HIADMN CC(C)c1cnc(-c2ccc(NC(=O)N3CCC[C@@H](CN4CCOCC4)C3)cc2)o1 ZINC000438498086 863917808 /nfs/dbraw/zinc/91/78/08/863917808.db2.gz DWCUVKPNLHCRII-SFHVURJKSA-N 0 1 412.534 4.041 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000438542133 863970225 /nfs/dbraw/zinc/97/02/25/863970225.db2.gz SNZAJXRGCHNONU-IQGLISFBSA-N 0 1 405.542 4.342 20 0 HIADMN COc1ccc(-c2csc(NC(=O)[C@@H]3CCCN3C3CCCC3)n2)cc1OC ZINC000438579654 864012063 /nfs/dbraw/zinc/01/20/63/864012063.db2.gz LEWSOOZPVNTBCQ-KRWDZBQOSA-N 0 1 401.532 4.173 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000438659048 864106505 /nfs/dbraw/zinc/10/65/05/864106505.db2.gz BSNUEBRJQNIWDV-DEOSSOPVSA-N 0 1 422.573 4.418 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC(C)(C)Cc1ccccc1 ZINC000438667977 864125279 /nfs/dbraw/zinc/12/52/79/864125279.db2.gz DCAIWDYUQSQYLR-UHFFFAOYSA-N 0 1 424.589 4.228 20 0 HIADMN Cc1ccnc(Oc2cc(NC(=O)N3CCC[C@H](CN4CCOCC4)C3)ccc2C)c1 ZINC000438674588 864134297 /nfs/dbraw/zinc/13/42/97/864134297.db2.gz XQFGRXNKKORPEL-HXUWFJFHSA-N 0 1 424.545 4.067 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)c1cccs1 ZINC000438675277 864136641 /nfs/dbraw/zinc/13/66/41/864136641.db2.gz ZCTUGRJTSHIPJH-MRXNPFEDSA-N 0 1 402.564 4.124 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000438675436 864136781 /nfs/dbraw/zinc/13/67/81/864136781.db2.gz ZLHVBAIEKVWGGU-KRWDZBQOSA-N 0 1 422.529 4.466 20 0 HIADMN Cc1ccc(C(=O)NCCN2CCCOCC2)c(Sc2ccc(Cl)cc2)c1 ZINC000438685028 864151120 /nfs/dbraw/zinc/15/11/20/864151120.db2.gz ACKLSQDDRLKXQU-UHFFFAOYSA-N 0 1 404.963 4.252 20 0 HIADMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(COC4CCCC4)cc3)cc2o1 ZINC000438750640 864240044 /nfs/dbraw/zinc/24/00/44/864240044.db2.gz HMHXSKJMWUOOOV-UHFFFAOYSA-N 0 1 422.890 4.035 20 0 HIADMN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000438759517 864252275 /nfs/dbraw/zinc/25/22/75/864252275.db2.gz YQSMXOGSZYEVED-UHFFFAOYSA-N 0 1 417.556 4.377 20 0 HIADMN O=S(=O)(Nc1cccc(CC(F)(F)F)c1)c1cc2c(cc1Cl)OCCO2 ZINC000438764938 864259744 /nfs/dbraw/zinc/25/97/44/864259744.db2.gz QILOWELBVRIXEX-UHFFFAOYSA-N 0 1 407.797 4.017 20 0 HIADMN CC(C)OCc1cccc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000438767030 864263239 /nfs/dbraw/zinc/26/32/39/864263239.db2.gz ZQKLHRCBCCLCJC-UHFFFAOYSA-N 0 1 402.401 4.003 20 0 HIADMN Cc1noc2ncc(S(=O)(=O)Nc3ccc4nc(C(C)(C)C)sc4c3)cc12 ZINC000438770021 864265580 /nfs/dbraw/zinc/26/55/80/864265580.db2.gz CVSWIURTAQXDFP-UHFFFAOYSA-N 0 1 402.501 4.239 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)cs1 ZINC000438770498 864265950 /nfs/dbraw/zinc/26/59/50/864265950.db2.gz FJYZPHNXCGNYJQ-UHFFFAOYSA-N 0 1 410.542 4.243 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(OC[C@H]2CCCO2)c1 ZINC000438795205 864288455 /nfs/dbraw/zinc/28/84/55/864288455.db2.gz OMQDQJJEWCODJH-GOSISDBHSA-N 0 1 417.527 4.192 20 0 HIADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 ZINC000438800848 864292874 /nfs/dbraw/zinc/29/28/74/864292874.db2.gz ITTCJYQRFXGWJX-SFHVURJKSA-N 0 1 417.527 4.274 20 0 HIADMN CC(C)c1nc2ccc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3Cl)cc2s1 ZINC000438802907 864294722 /nfs/dbraw/zinc/29/47/22/864294722.db2.gz CQNLDYJVGSLQAB-UHFFFAOYSA-N 0 1 423.903 4.308 20 0 HIADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)cc1 ZINC000438809205 864301056 /nfs/dbraw/zinc/30/10/56/864301056.db2.gz KSBSCFAWHABUKV-UHFFFAOYSA-N 0 1 403.891 4.165 20 0 HIADMN COC(=O)[C@@H](Sc1nc(Cc2ccccc2)c(C)[nH]1)c1cc(OC)cc(OC)c1 ZINC000438811682 864303832 /nfs/dbraw/zinc/30/38/32/864303832.db2.gz FHEKSYGUNDMLCD-FQEVSTJZSA-N 0 1 412.511 4.333 20 0 HIADMN C[C@@H](NC(=O)N[C@@H]1CCCc2sccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000467890168 881752372 /nfs/dbraw/zinc/75/23/72/881752372.db2.gz SLLNTBXKTUBXIZ-DNVCBOLYSA-N 0 1 416.566 4.077 20 0 HIADMN COc1ccc(NC(=O)[C@H](N[C@@H]2C[C@@H]3OCCC[C@@H]23)c2ccccc2)cc1Cl ZINC000438834987 864329643 /nfs/dbraw/zinc/32/96/43/864329643.db2.gz BNBQYRJWYZYBFU-AGKXRFJRSA-N 0 1 400.906 4.186 20 0 HIADMN C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1c(F)cccc1Cl ZINC000438841632 864334510 /nfs/dbraw/zinc/33/45/10/864334510.db2.gz LYUVUXXIERNKNH-HUUCEWRRSA-N 0 1 404.917 4.460 20 0 HIADMN C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2)c1 ZINC000438843313 864336109 /nfs/dbraw/zinc/33/61/09/864336109.db2.gz SEMQNLRZSGRXIO-PMACEKPBSA-N 0 1 421.589 4.268 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000438845587 864340088 /nfs/dbraw/zinc/34/00/88/864340088.db2.gz CEAXBVDICDTOQU-IBGZPJMESA-N 0 1 422.573 4.428 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3ccc(OC(C)C)c(C)c3)[nH]c2c1 ZINC000438845070 864340578 /nfs/dbraw/zinc/34/05/78/864340578.db2.gz ZCQKXHPTHRACBM-HXUWFJFHSA-N 0 1 420.513 4.269 20 0 HIADMN CC(C)COc1ccc(CCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438856486 864351594 /nfs/dbraw/zinc/35/15/94/864351594.db2.gz KKNVISHBADCTBH-FQEVSTJZSA-N 0 1 424.589 4.184 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2(Cc3ccccc3)CCC2)CC1 ZINC000438861349 864354140 /nfs/dbraw/zinc/35/41/40/864354140.db2.gz ROVGHTOAYJPKFD-FQEVSTJZSA-N 0 1 406.574 4.319 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000438866474 864359065 /nfs/dbraw/zinc/35/90/65/864359065.db2.gz JFLYRIMRHZTITR-MGPUTAFESA-N 0 1 414.937 4.083 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000438866473 864359107 /nfs/dbraw/zinc/35/91/07/864359107.db2.gz JFLYRIMRHZTITR-FOIQADDNSA-N 0 1 414.937 4.083 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000438887046 864370893 /nfs/dbraw/zinc/37/08/93/864370893.db2.gz OZEWXWPQKIOCIW-HUUCEWRRSA-N 0 1 414.310 4.235 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000438960192 864428348 /nfs/dbraw/zinc/42/83/48/864428348.db2.gz BNSBAABSJSSAMZ-IBGZPJMESA-N 0 1 408.590 4.446 20 0 HIADMN Cn1ccnc1COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000438980589 864443137 /nfs/dbraw/zinc/44/31/37/864443137.db2.gz SDTPAGMTWHFKHT-UHFFFAOYSA-N 0 1 412.298 4.107 20 0 HIADMN CC(C)(C)n1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c(-c2ccc(F)cc2F)n1 ZINC000439022991 864477389 /nfs/dbraw/zinc/47/73/89/864477389.db2.gz VNMFFLMNXWOIDZ-UHFFFAOYSA-N 0 1 423.427 4.016 20 0 HIADMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1cc(C)nc(-c2ccncc2)n1 ZINC000439076136 864526958 /nfs/dbraw/zinc/52/69/58/864526958.db2.gz IFENPWXWRAJFAN-FDDCHVKYSA-N 0 1 416.573 4.287 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439089444 864535969 /nfs/dbraw/zinc/53/59/69/864535969.db2.gz UUWYZNRNDHJPPY-SFHVURJKSA-N 0 1 418.545 4.231 20 0 HIADMN C[C@@H]1C[C@H](C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)CO1 ZINC000439108288 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HIADMN O=C(Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1csc(Cc2cccc(F)c2)n1 ZINC000503385202 912367759 /nfs/dbraw/zinc/36/77/59/912367759.db2.gz JIRVAHDFRQYCPJ-UHFFFAOYSA-N 0 1 410.474 4.045 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000503386172 912368151 /nfs/dbraw/zinc/36/81/51/912368151.db2.gz CIPNVIWPTNMSJK-UHFFFAOYSA-N 0 1 417.475 4.443 20 0 HIADMN Cc1sc2nc([C@H](C)N3CCC[C@@H](c4ncc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389902 912374278 /nfs/dbraw/zinc/37/42/78/912374278.db2.gz INDLNPNYBIJIEB-GOEBONIOSA-N 0 1 410.591 4.364 20 0 HIADMN CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C ZINC000465289013 878726912 /nfs/dbraw/zinc/72/69/12/878726912.db2.gz LAYJPXJKWNYXPN-NVXWUHKLSA-N 0 1 416.543 4.065 20 0 HIADMN CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000465290585 878728452 /nfs/dbraw/zinc/72/84/52/878728452.db2.gz IBAICFOGVJZTGJ-VQIMIIECSA-N 0 1 416.543 4.065 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CCS[C@H](C(C)C)C2)N2CCCCC2)cc1 ZINC000465398070 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Cc1ccc2nc(CNC(=O)NCC3(c4ccc(Cl)cc4)CCOCC3)[nH]c2c1 ZINC000465764538 879360615 /nfs/dbraw/zinc/36/06/15/879360615.db2.gz YWYIQWRIPCHQJG-UHFFFAOYSA-N 0 1 412.921 4.072 20 0 HIADMN Cc1ccc2nc(CNC(=O)NCc3cccc(Cn4cnc5ccccc54)c3)[nH]c2c1 ZINC000465783526 879388669 /nfs/dbraw/zinc/38/86/69/879388669.db2.gz KASHYYNYSBMZIJ-UHFFFAOYSA-N 0 1 424.508 4.269 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)N2CCCC2)o1 ZINC000465797420 879407623 /nfs/dbraw/zinc/40/76/23/879407623.db2.gz LHITYYKCKHVZMP-HOTGVXAUSA-N 0 1 424.328 4.465 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccco1 ZINC000465807540 879423032 /nfs/dbraw/zinc/42/30/32/879423032.db2.gz HTABZDWZUYZWIO-HNNXBMFYSA-N 0 1 415.868 4.417 20 0 HIADMN Cc1ccc2nc(CNC(=O)N[C@@H](c3nc4ccccc4n3C)c3ccccc3)[nH]c2c1 ZINC000465813572 879435009 /nfs/dbraw/zinc/43/50/09/879435009.db2.gz WMXLHWFEOJSHNJ-HSZRJFAPSA-N 0 1 424.508 4.347 20 0 HIADMN Cc1ccc2nc(CNC(=O)NCC(C)(C)c3cccc(Br)c3)[nH]c2c1 ZINC000465829434 879462462 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MYJSLMXSDFXFJP-SFTDATJTSA-N 0 1 419.529 4.266 20 0 HIADMN CC1(C)CN(C(=O)NCc2coc(-c3ccccc3)n2)CCN1Cc1ccccc1 ZINC000466065447 879764009 /nfs/dbraw/zinc/76/40/09/879764009.db2.gz IORMDCGMYZBSTK-UHFFFAOYSA-N 0 1 404.514 4.148 20 0 HIADMN CCc1ccc(NC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000466075384 879783534 /nfs/dbraw/zinc/78/35/34/879783534.db2.gz XMOOWKMMSOCGTL-UHFFFAOYSA-N 0 1 420.479 4.341 20 0 HIADMN C[C@H](CCc1cccn1C)NC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000466131032 879843186 /nfs/dbraw/zinc/84/31/86/879843186.db2.gz QRZBCRQWEZOOKM-HXUWFJFHSA-N 0 1 404.558 4.027 20 0 HIADMN C[C@H](CNC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)Cc1cccs1 ZINC000466148510 879856319 /nfs/dbraw/zinc/85/63/19/879856319.db2.gz RXOWBFKBZGHPFU-INIZCTEOSA-N 0 1 409.559 4.301 20 0 HIADMN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCC(CCN2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000466154198 879859527 /nfs/dbraw/zinc/85/95/27/879859527.db2.gz SPHPIMPIOGKOQF-WTNAPCKOSA-N 0 1 419.997 4.181 20 0 HIADMN C[C@H]1CN(CCCNC(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)C[C@H](C)O1 ZINC000503472103 912506918 /nfs/dbraw/zinc/50/69/18/912506918.db2.gz SMRKWWXVLHQSQU-GJZGRUSLSA-N 0 1 414.377 4.167 20 0 HIADMN COc1cccc(O[C@H](C)CNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000466198660 879890283 /nfs/dbraw/zinc/89/02/83/879890283.db2.gz KHKFWWKBLSAAOW-IIBYNOLFSA-N 0 1 408.502 4.194 20 0 HIADMN Cc1c(-c2cc(CN3CCC[C@@H](COc4ccccc4Cl)C3)on2)cnn1C ZINC000466220313 879915262 /nfs/dbraw/zinc/91/52/62/879915262.db2.gz RAFJYPJJXJQZNB-MRXNPFEDSA-N 0 1 400.910 4.328 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@@H](C)c3ccccc3)CC2)c1C ZINC000503473337 912511585 /nfs/dbraw/zinc/51/15/85/912511585.db2.gz NSHOLANVNKWSSF-IBGZPJMESA-N 0 1 410.562 4.074 20 0 HIADMN COc1ccc(C(=O)Nc2ccc(C(=O)NCc3nc4ccc(C)cc4[nH]3)s2)cc1 ZINC000466230868 879933713 /nfs/dbraw/zinc/93/37/13/879933713.db2.gz AXWQDZSDFSLWKM-UHFFFAOYSA-N 0 1 420.494 4.124 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)Cc3c(C)oc4ccccc43)CCN2C2CC2)c1 ZINC000466304917 880056019 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HIADMN COc1cc(C)c([C@H](C)NC(=O)c2cc(Br)cc3nc[nH]c32)cc1OC ZINC000503588422 912675165 /nfs/dbraw/zinc/67/51/65/912675165.db2.gz HYXKPMMTYSHNIE-NSHDSACASA-N 0 1 418.291 4.142 20 0 HIADMN CC(C)CCN1Cc2cccc(NC(=O)c3cn(Cc4cccc(F)c4)nn3)c2C1 ZINC000469122577 883217125 /nfs/dbraw/zinc/21/71/25/883217125.db2.gz ZXPYBXNWTTZSTG-UHFFFAOYSA-N 0 1 407.493 4.080 20 0 HIADMN COc1ccc(-c2cnc(CCC(=O)Nc3cccc4c3OCC[C@H]4N(C)C)o2)cc1 ZINC000469123184 883219135 /nfs/dbraw/zinc/21/91/35/883219135.db2.gz VBEZRVWIVKBQMC-HXUWFJFHSA-N 0 1 421.497 4.307 20 0 HIADMN Cc1c(C(=O)Nc2cccc3c2CN(CCC(C)C)C3)nnn1Cc1ccc(F)cc1 ZINC000469138357 883235877 /nfs/dbraw/zinc/23/58/77/883235877.db2.gz YFPIEECMHPXZMS-UHFFFAOYSA-N 0 1 421.520 4.388 20 0 HIADMN C[C@H]1C[C@@H](NCc2ccc(S(C)(=O)=O)s2)c2cccc(Br)c21 ZINC000469246013 883343300 /nfs/dbraw/zinc/34/33/00/883343300.db2.gz QOOGOVIWOWVYPY-IINYFYTJSA-N 0 1 400.363 4.252 20 0 HIADMN COc1cc(Br)ccc1[C@@H](C)N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000469271708 883369229 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HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cccc21 ZINC000469329315 883437683 /nfs/dbraw/zinc/43/76/83/883437683.db2.gz ZFBBNYDTEIMUKM-HXUWFJFHSA-N 0 1 410.905 4.222 20 0 HIADMN C[C@H](Oc1ccccc1Br)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000469342993 883458457 /nfs/dbraw/zinc/45/84/57/883458457.db2.gz HEQJEMGHOZWWHF-GUYCJALGSA-N 0 1 419.319 4.240 20 0 HIADMN CCc1nc([C@@H](C)NC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)n[nH]1 ZINC000469350024 883469147 /nfs/dbraw/zinc/46/91/47/883469147.db2.gz YCPVIGPVBXVEMH-SNVBAGLBSA-N 0 1 415.847 4.131 20 0 HIADMN COc1ccc(Br)c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000469364255 883487811 /nfs/dbraw/zinc/48/78/11/883487811.db2.gz YYFJZGHAAIUDRU-KRWDZBQOSA-N 0 1 405.292 4.095 20 0 HIADMN O=C(c1ccc(Nc2ccncc2)cc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000469367117 883489639 /nfs/dbraw/zinc/48/96/39/883489639.db2.gz JMHHVYFAUYKDLT-OAQYLSRUSA-N 0 1 411.864 4.253 20 0 HIADMN O=C(c1c(Cl)cccc1Oc1ccc(F)c(Cl)c1)N1CCc2[nH]nnc2C1 ZINC000469419459 883597147 /nfs/dbraw/zinc/59/71/47/883597147.db2.gz DSYDMPULFFSRQB-UHFFFAOYSA-N 0 1 407.232 4.241 20 0 HIADMN O=C(c1cccc(Br)c1F)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000469469531 883694418 /nfs/dbraw/zinc/69/44/18/883694418.db2.gz WWCQVCFSPWIMGA-UHFFFAOYSA-N 0 1 420.204 4.350 20 0 HIADMN CN(C)[C@@H](CNC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(C(F)(F)F)c1 ZINC000469477449 883707045 /nfs/dbraw/zinc/70/70/45/883707045.db2.gz GDYCPBRDAFRUIW-KRWDZBQOSA-N 0 1 423.460 4.384 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1ccc(Br)o1)c1cccc(C(F)(F)F)c1 ZINC000469479573 883711241 /nfs/dbraw/zinc/71/12/41/883711241.db2.gz IYDBSYARMWFCPA-LBPRGKRZSA-N 0 1 405.214 4.094 20 0 HIADMN Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469485644 883717387 /nfs/dbraw/zinc/71/73/87/883717387.db2.gz JHIQPFDZNLWFGL-QGZVFWFLSA-N 0 1 421.419 4.223 20 0 HIADMN Cc1cccc2nc(CCC(=O)NC[C@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)[nH]c21 ZINC000469488060 883725368 /nfs/dbraw/zinc/72/53/68/883725368.db2.gz OHZDDMJAZZLEDX-GOSISDBHSA-N 0 1 418.463 4.242 20 0 HIADMN Cc1cccc2[nH]c(CCC(=O)NC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)nc21 ZINC000469488060 883725382 /nfs/dbraw/zinc/72/53/82/883725382.db2.gz OHZDDMJAZZLEDX-GOSISDBHSA-N 0 1 418.463 4.242 20 0 HIADMN COc1ccc2c(CC(=O)NC[C@H](c3cccc(C(F)(F)F)c3)N(C)C)coc2c1 ZINC000469497582 883740532 /nfs/dbraw/zinc/74/05/32/883740532.db2.gz LASRYFAHHMLXOQ-LJQANCHMSA-N 0 1 420.431 4.422 20 0 HIADMN CN(C)[C@H](CNC(=O)C[C@@H]1OCCc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000469498416 883741219 /nfs/dbraw/zinc/74/12/19/883741219.db2.gz WSURXBJKNHHYPE-UXHICEINSA-N 0 1 406.448 4.128 20 0 HIADMN CCO[C@H](C)c1ncc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000469507290 883759843 /nfs/dbraw/zinc/75/98/43/883759843.db2.gz VBKXFKFZUKUUHZ-IUODEOHRSA-N 0 1 415.481 4.292 20 0 HIADMN CN(C)[C@@H](CNC(=O)CCc1nnc(C2CCCC2)o1)c1cccc(C(F)(F)F)c1 ZINC000469507272 883760778 /nfs/dbraw/zinc/76/07/78/883760778.db2.gz UWTYMGUQZQYHGL-KRWDZBQOSA-N 0 1 424.467 4.098 20 0 HIADMN Cc1nnc(SCC(=O)N(C)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[nH]1 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417.378 4.417 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2c(F)ccc(Br)c2F)CC1 ZINC000469695065 883875391 /nfs/dbraw/zinc/87/53/91/883875391.db2.gz JXKJBVUBIKDOEJ-GFCCVEGCSA-N 0 1 424.289 4.078 20 0 HIADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1cccc(CSC2CCCC2)c1 ZINC000469697583 883877050 /nfs/dbraw/zinc/87/70/50/883877050.db2.gz JZIAPWSHOZTFDT-UHFFFAOYSA-N 0 1 424.614 4.408 20 0 HIADMN Cc1ccc(F)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1Br ZINC000469697629 883877410 /nfs/dbraw/zinc/87/74/10/883877410.db2.gz KPTGDTHNSKYFPY-CQSZACIVSA-N 0 1 420.326 4.247 20 0 HIADMN COc1cc(Br)ccc1[C@H](C)NCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000469739668 883896163 /nfs/dbraw/zinc/89/61/63/883896163.db2.gz NOLPWNCEEYFXLQ-LSDHHAIUSA-N 0 1 405.336 4.328 20 0 HIADMN CCc1cc(C(=O)N2CCO[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)n[nH]1 ZINC000469751002 883911298 /nfs/dbraw/zinc/91/12/98/883911298.db2.gz GAWCCTZMYNQNKF-HNNXBMFYSA-N 0 1 421.341 4.223 20 0 HIADMN CN(C)[C@@H](CNC(=O)CCSCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000469753910 883915679 /nfs/dbraw/zinc/91/56/79/883915679.db2.gz AULHHMBBRFQOHX-SFHVURJKSA-N 0 1 411.493 4.143 20 0 HIADMN Clc1cc(CN[C@H](CN2CCOCC2)c2ccccc2)ccc1Br ZINC000469778173 883954026 /nfs/dbraw/zinc/95/40/26/883954026.db2.gz YZOZQRXJKRBSLF-LJQANCHMSA-N 0 1 409.755 4.266 20 0 HIADMN Cc1nc2c(s1)CCC[C@@H]2C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469798811 883972552 /nfs/dbraw/zinc/97/25/52/883972552.db2.gz FYGZVYLEUVJIPU-JKSUJKDBSA-N 0 1 411.493 4.309 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccccc1Cl ZINC000469866352 884055286 /nfs/dbraw/zinc/05/52/86/884055286.db2.gz PPTRAYVGHNNLOI-DUXKGJEZSA-N 0 1 417.985 4.212 20 0 HIADMN O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000469875093 884065854 /nfs/dbraw/zinc/06/58/54/884065854.db2.gz ZIUJQBMAGDGIFH-PMACEKPBSA-N 0 1 422.516 4.456 20 0 HIADMN Nc1c(Br)cc(Br)cc1CN1CC[C@H](C2CCOCC2)C1 ZINC000469943223 884139631 /nfs/dbraw/zinc/13/96/31/884139631.db2.gz GFZGZRMUUQTHDS-LBPRGKRZSA-N 0 1 418.173 4.042 20 0 HIADMN C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1nc2ccccc2[nH]1 ZINC000470048492 884292996 /nfs/dbraw/zinc/29/29/96/884292996.db2.gz WUHKTWUHONDJLM-ACJLOTCBSA-N 0 1 419.451 4.245 20 0 HIADMN COc1ccc([C@@H](CNC(=O)NCc2nc3ccccc3s2)N2CCCCC2)cc1 ZINC000503727359 912811802 /nfs/dbraw/zinc/81/18/02/912811802.db2.gz LAJMVIFZBTYNPT-HXUWFJFHSA-N 0 1 424.570 4.331 20 0 HIADMN COC(=O)[C@@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1ccsc1 ZINC000470113239 884372023 /nfs/dbraw/zinc/37/20/23/884372023.db2.gz GTTQURIATDVDOB-NRFANRHFSA-N 0 1 408.523 4.024 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@@H]1CCc2c1cccc2O)c1cccc(C(F)(F)F)c1 ZINC000470166078 884442218 /nfs/dbraw/zinc/44/22/18/884442218.db2.gz RQRXOAJLIYEFLH-MSOLQXFVSA-N 0 1 407.436 4.000 20 0 HIADMN CCCCNC(=O)C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000470169745 884448045 /nfs/dbraw/zinc/44/80/45/884448045.db2.gz IWEKRUPEKJNYPK-UHFFFAOYSA-N 0 1 404.352 4.126 20 0 HIADMN O=C(NC[C@H]1CCCCN1C1CC1)c1cc(COc2c(Cl)cccc2Cl)on1 ZINC000470171826 884452321 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/nfs/dbraw/zinc/69/58/48/896695848.db2.gz FJDWMJVJKSGQSZ-MRXNPFEDSA-N 0 1 416.934 4.015 20 0 HIADMN CC(C)CN(CC(=O)NCCc1cccc2cccnc21)[C@H]1CCCc2cccnc21 ZINC000481337877 896703383 /nfs/dbraw/zinc/70/33/83/896703383.db2.gz CSTNYSDOKQRJQF-QHCPKHFHSA-N 0 1 416.569 4.324 20 0 HIADMN CC(C)(C)[C@H]1C[C@H](NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCO1 ZINC000481352305 896727870 /nfs/dbraw/zinc/72/78/70/896727870.db2.gz IDDNBOGYCNXNSD-WOJBJXKFSA-N 0 1 407.986 4.197 20 0 HIADMN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000481370902 896762071 /nfs/dbraw/zinc/76/20/71/896762071.db2.gz OACDPGPAADMWNF-IRXDYDNUSA-N 0 1 421.467 4.482 20 0 HIADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000481416496 896819552 /nfs/dbraw/zinc/81/95/52/896819552.db2.gz YZCGGDHNGHMSEP-LKBUQDJMSA-N 0 1 410.892 4.031 20 0 HIADMN CCS[C@H]1CCCCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)C1 ZINC000481486095 896868089 /nfs/dbraw/zinc/86/80/89/896868089.db2.gz MYQFZTSSMQNLAU-ICSRJNTNSA-N 0 1 405.608 4.149 20 0 HIADMN COc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3cccnc3)n[nH]2)cc1 ZINC000481505461 896877894 /nfs/dbraw/zinc/87/78/94/896877894.db2.gz FBYDCSGCERXPTI-UHFFFAOYSA-N 0 1 412.493 4.365 20 0 HIADMN Cc1nc(C(C)C)sc1[C@H](C)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481533819 896895877 /nfs/dbraw/zinc/89/58/77/896895877.db2.gz LWKWYWWYWLOELB-KXBFYZLASA-N 0 1 401.576 4.335 20 0 HIADMN CCOc1ccc([C@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1OCC ZINC000481559905 896932145 /nfs/dbraw/zinc/93/21/45/896932145.db2.gz HGPFQCKISCCYOH-HTAPYJJXSA-N 0 1 412.530 4.452 20 0 HIADMN CCOc1ccc([C@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1OCC ZINC000481559906 896932772 /nfs/dbraw/zinc/93/27/72/896932772.db2.gz HGPFQCKISCCYOH-JTSKRJEESA-N 0 1 412.530 4.452 20 0 HIADMN C[C@H](NCc1ccc(Oc2cccnc2)c(F)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000481566010 896944088 /nfs/dbraw/zinc/94/40/88/896944088.db2.gz QRNNIKJHDMDPFC-HNNXBMFYSA-N 0 1 415.490 4.235 20 0 HIADMN C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc(OC(F)(F)F)c1 ZINC000481568872 896947806 /nfs/dbraw/zinc/94/78/06/896947806.db2.gz CIYWXFYOUZTZQV-FOIQADDNSA-N 0 1 422.447 4.345 20 0 HIADMN O=c1cc(CN2CCC(COc3ccccc3C(F)(F)F)CC2)nc2ccccn12 ZINC000481579520 896959004 /nfs/dbraw/zinc/95/90/04/896959004.db2.gz PNYWPOSGNBNHLE-UHFFFAOYSA-N 0 1 417.431 4.004 20 0 HIADMN NC(=O)[C@H](N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc(Br)cc1F ZINC000481602966 896983201 /nfs/dbraw/zinc/98/32/01/896983201.db2.gz VEUGCLMLUPWLMJ-HNJNHCNJSA-N 0 1 409.274 4.180 20 0 HIADMN C[C@@H](C(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1)n1ccc2ccccc2c1=O ZINC000481609616 896991053 /nfs/dbraw/zinc/99/10/53/896991053.db2.gz GSKWEMZGZQDCBV-HNNXBMFYSA-N 0 1 409.449 4.140 20 0 HIADMN CC[C@@H](NCc1ccc(OC)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481641790 897026637 /nfs/dbraw/zinc/02/66/37/897026637.db2.gz GWOPCNQNINLSHQ-MRXNPFEDSA-N 0 1 417.358 4.151 20 0 HIADMN O=C(NC1CC1)[C@H](N[C@@H]1C[C@H]1c1ccc(Br)s1)c1ccc(F)cc1 ZINC000481696944 897084232 /nfs/dbraw/zinc/08/42/32/897084232.db2.gz XMSDAWSCFIUEAL-CKEIUWERSA-N 0 1 409.324 4.115 20 0 HIADMN NC(=O)[C@H](N[C@H]1CC[C@@H](c2ccccc2F)C1)c1ccc(Br)cc1F ZINC000481716344 897109842 /nfs/dbraw/zinc/10/98/42/897109842.db2.gz FWNSEMGCKSVMKZ-SUFBMKPHSA-N 0 1 409.274 4.180 20 0 HIADMN CCC(CC)(CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000481821010 897193130 /nfs/dbraw/zinc/19/31/30/897193130.db2.gz BABAKZWPWNPYOW-IBGZPJMESA-N 0 1 422.013 4.152 20 0 HIADMN CNC(=O)C[C@@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1 ZINC000481827110 897197061 /nfs/dbraw/zinc/19/70/61/897197061.db2.gz ZZOUPMBKPTYBMR-OAHLLOKOSA-N 0 1 413.262 4.018 20 0 HIADMN O=C(Nc1ccccc1)c1cccc(CN2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000481842228 897208856 /nfs/dbraw/zinc/20/88/56/897208856.db2.gz RTVIICYGXPMSIM-UHFFFAOYSA-N 0 1 415.541 4.246 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(-c4ncco4)c3)[nH]n2)cc1OC ZINC000481843085 897209213 /nfs/dbraw/zinc/20/92/13/897209213.db2.gz IRMDVWDHDMBQFM-UHFFFAOYSA-N 0 1 404.426 4.310 20 0 HIADMN O=C(Nc1nc(C(F)(F)F)cs1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000481850730 897217357 /nfs/dbraw/zinc/21/73/57/897217357.db2.gz BEQFRQWSSHPRHU-GFCCVEGCSA-N 0 1 405.392 4.258 20 0 HIADMN COc1ccc(C[C@H]2CCCN(C(=O)c3cc(-c4cccc(OC)c4)[nH]n3)C2)cc1 ZINC000481859216 897226256 /nfs/dbraw/zinc/22/62/56/897226256.db2.gz KZUGOPJIORZBJH-GOSISDBHSA-N 0 1 405.498 4.189 20 0 HIADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1c(Cl)cccc1Cl ZINC000481865935 897235508 /nfs/dbraw/zinc/23/55/08/897235508.db2.gz JSFJCDYQQWZOTR-RDTXWAMCSA-N 0 1 411.354 4.298 20 0 HIADMN Cc1ccccc1Oc1ccccc1CNC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000481869090 897240647 /nfs/dbraw/zinc/24/06/47/897240647.db2.gz HBTXVBRSQLWPQL-NRFANRHFSA-N 0 1 423.557 4.041 20 0 HIADMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000481872833 897244272 /nfs/dbraw/zinc/24/42/72/897244272.db2.gz JLKUXLACMRUNHJ-UYAOXDASSA-N 0 1 424.488 4.096 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC(Nc4cccc(C)c4)CC3)n2)cc1 ZINC000481914989 897297170 /nfs/dbraw/zinc/29/71/70/897297170.db2.gz VFCKFEQSTLQADG-UHFFFAOYSA-N 0 1 421.570 4.284 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cccc4cccnc43)CCN2C2CC2)c1 ZINC000481918105 897302980 /nfs/dbraw/zinc/30/29/80/897302980.db2.gz CYEZBCKDXSSRTQ-JTHBVZDNSA-N 0 1 402.498 4.343 20 0 HIADMN COc1ccc(Cl)cc1N1CC[C@H](N[C@H](C)c2nnn(-c3ccccc3)c2C)C1 ZINC000481934840 897319282 /nfs/dbraw/zinc/31/92/82/897319282.db2.gz LFSASHOFUVNFFO-QAPCUYQASA-N 0 1 411.937 4.167 20 0 HIADMN Cc1ccc(NC(=O)CNC2(c3ccc(Br)cc3)CCOCC2)c(F)c1 ZINC000505474627 914151948 /nfs/dbraw/zinc/15/19/48/914151948.db2.gz RPHJPQZGWDCAAO-UHFFFAOYSA-N 0 1 421.310 4.131 20 0 HIADMN NC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000481978212 897370750 /nfs/dbraw/zinc/37/07/50/897370750.db2.gz ZYHAKDWUDXJLBD-UHFFFAOYSA-N 0 1 402.859 4.032 20 0 HIADMN CCCCCC(=O)NC1CCN(Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000482010612 897408684 /nfs/dbraw/zinc/40/86/84/897408684.db2.gz BEWYABYWSUAOOS-UHFFFAOYSA-N 0 1 412.530 4.394 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)CCN2C2CC2)c1 ZINC000482009804 897409131 /nfs/dbraw/zinc/40/91/31/897409131.db2.gz KRBIEYIGKRISLX-OFNKIYASSA-N 0 1 424.589 4.478 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccccc3C(F)(F)F)CCN2C2CC2)c1 ZINC000482015807 897416461 /nfs/dbraw/zinc/41/64/61/897416461.db2.gz REYREECIDDXTII-VQTJNVASSA-N 0 1 404.432 4.422 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3c(Cl)cccc3OC)CCN2C2CC2)c1 ZINC000482017362 897418414 /nfs/dbraw/zinc/41/84/14/897418414.db2.gz VNDBKEKNVYLHJQ-GHTZIAJQSA-N 0 1 400.906 4.065 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)CCCc3cc(F)ccc3F)CCN2C2CC2)c1 ZINC000482017858 897420461 /nfs/dbraw/zinc/42/04/61/897420461.db2.gz WNSSJCBYGATXTJ-VWNXMTODSA-N 0 1 414.496 4.390 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc(OC(F)F)cc3)CCN2C2CC2)c1 ZINC000482017367 897420533 /nfs/dbraw/zinc/42/05/33/897420533.db2.gz VNHCQSPLIQJDPK-UXHICEINSA-N 0 1 402.441 4.004 20 0 HIADMN CCOc1ccc(Cl)cc1[C@@H](C)NCc1ccccc1N1CCN(C(C)=O)CC1 ZINC000482019708 897424603 /nfs/dbraw/zinc/42/46/03/897424603.db2.gz WIPGCUANTNCGKZ-QGZVFWFLSA-N 0 1 415.965 4.258 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)CCCOc3ccccc3F)CCN2C2CC2)c1 ZINC000482034848 897448691 /nfs/dbraw/zinc/44/86/91/897448691.db2.gz BBXCNXQYDBHGGG-URXFXBBRSA-N 0 1 412.505 4.088 20 0 HIADMN COc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1OCC(F)(F)F ZINC000482042180 897459873 /nfs/dbraw/zinc/45/98/73/897459873.db2.gz OEXXBELDPXAFST-UHFFFAOYSA-N 0 1 413.776 4.230 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000482046024 897467088 /nfs/dbraw/zinc/46/70/88/897467088.db2.gz IPPZIGUZBVAFEA-GFCCVEGCSA-N 0 1 407.440 4.057 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCCOc4c(F)cccc43)n2)cc1 ZINC000482048313 897472939 /nfs/dbraw/zinc/47/29/39/897472939.db2.gz XRMFZWJZOBPRKJ-QGZVFWFLSA-N 0 1 412.490 4.041 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)CCn3ccc4ccccc43)CCN2C2CC2)c1 ZINC000482051304 897476188 /nfs/dbraw/zinc/47/61/88/897476188.db2.gz QSRFYFWWLJBKGH-RDGATRHJSA-N 0 1 403.526 4.134 20 0 HIADMN CC(C)c1nc(C(=O)N2CCN(C3CCCCC3)CC2)nn1-c1ccccc1Cl ZINC000482059671 897488405 /nfs/dbraw/zinc/48/84/05/897488405.db2.gz GHRNVTTZNCWZMO-UHFFFAOYSA-N 0 1 415.969 4.135 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)CCCOCc3ccccc3)CCN2C2CC2)c1 ZINC000482071331 897507299 /nfs/dbraw/zinc/50/72/99/897507299.db2.gz GPTCMGAGXZSDNL-ILBGXUMGSA-N 0 1 408.542 4.086 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccccc3Br)CCN2C2CC2)c1 ZINC000482076965 897515184 /nfs/dbraw/zinc/51/51/84/897515184.db2.gz NWOXWSBKIPYZJX-VQTJNVASSA-N 0 1 415.331 4.166 20 0 HIADMN CNC(=O)C[C@H](N[C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1)c1ccccc1 ZINC000482080057 897519824 /nfs/dbraw/zinc/51/98/24/897519824.db2.gz UITHPLOGKLSDOI-WEYGHZABSA-N 0 1 414.521 4.302 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)c3cnc4ccc(F)cc4c3)CCN2C2CC2)c1 ZINC000482081414 897519893 /nfs/dbraw/zinc/51/98/93/897519893.db2.gz VPWTUSKOAHKFEH-PKTZIBPZSA-N 0 1 405.473 4.090 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1F ZINC000482080655 897519938 /nfs/dbraw/zinc/51/99/38/897519938.db2.gz LOFJKMKEIBHZKD-UHFFFAOYSA-N 0 1 401.873 4.048 20 0 HIADMN COc1ccc([C@@H](C)NCc2ccc(OC)c(NC(C)=O)c2)cc1Br ZINC000482118516 897571169 /nfs/dbraw/zinc/57/11/69/897571169.db2.gz IOMCIDHMWQJQPV-GFCCVEGCSA-N 0 1 407.308 4.276 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCOc3ccccc3C(C)C)n2)cc1 ZINC000482154978 897618263 /nfs/dbraw/zinc/61/82/63/897618263.db2.gz UQXAFYBQOQADHO-UHFFFAOYSA-N 0 1 410.543 4.191 20 0 HIADMN COC(=O)c1ccc(-c2ccc(CNCc3cccc(Cn4cccn4)c3)o2)cc1 ZINC000482206333 897685181 /nfs/dbraw/zinc/68/51/81/897685181.db2.gz DXSKHTOXOTYCIA-UHFFFAOYSA-N 0 1 401.466 4.268 20 0 HIADMN C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000482232631 897712597 /nfs/dbraw/zinc/71/25/97/897712597.db2.gz BFKFSCJKPNDYAF-JXFKEZNVSA-N 0 1 400.544 4.034 20 0 HIADMN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000482232636 897712779 /nfs/dbraw/zinc/71/27/79/897712779.db2.gz BFVRKUIHNPUYNQ-KGLIPLIRSA-N 0 1 409.621 4.411 20 0 HIADMN C[C@H](N[C@@H]1CCSc2c(Cl)cccc21)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000482241928 897724559 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/nfs/dbraw/zinc/74/35/96/931743596.db2.gz VHIKXTGUJDMCQJ-UHFFFAOYSA-N 0 1 406.523 4.148 20 0 HIADMN CCC[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc(C)cn2)CC1)c1ccccc1 ZINC000533029902 931746090 /nfs/dbraw/zinc/74/60/90/931746090.db2.gz DTBQLYJCPUAXEW-DENIHFKCSA-N 0 1 422.573 4.087 20 0 HIADMN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000533041996 931749078 /nfs/dbraw/zinc/74/90/78/931749078.db2.gz DGOBDWIECRRMCB-KRWDZBQOSA-N 0 1 411.399 4.163 20 0 HIADMN O=[S@@](CCN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 ZINC000533043295 931750183 /nfs/dbraw/zinc/75/01/83/931750183.db2.gz PQUMQPLCHMHPBH-UULLZXFKSA-N 0 1 415.946 4.377 20 0 HIADMN Fc1ccc(-c2noc(CN3CCC[C@H](c4nc(-c5ccc(F)cc5)no4)C3)n2)cc1 ZINC000533048388 931753119 /nfs/dbraw/zinc/75/31/19/931753119.db2.gz XSRYDPNWCDFZLP-INIZCTEOSA-N 0 1 423.423 4.444 20 0 HIADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@H](c1ncccc1C)C(C)C ZINC000533059438 931758066 /nfs/dbraw/zinc/75/80/66/931758066.db2.gz HABLSABFGIWMJY-QFIPXVFZSA-N 0 1 405.546 4.426 20 0 HIADMN O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000533113680 931773757 /nfs/dbraw/zinc/77/37/57/931773757.db2.gz FFKJHMYIKRPKEA-KRWDZBQOSA-N 0 1 416.510 4.010 20 0 HIADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000533229568 931814884 /nfs/dbraw/zinc/81/48/84/931814884.db2.gz CVXBHNRZSSHFDB-ICSRJNTNSA-N 0 1 419.525 4.303 20 0 HIADMN O=C(CCN1CCN(c2cccc(O)c2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000533235888 931815873 /nfs/dbraw/zinc/81/58/73/931815873.db2.gz HWVWLUDUZJGNHV-UHFFFAOYSA-N 0 1 417.509 4.335 20 0 HIADMN C[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)[C@@H](O)Cc1ccccc1 ZINC000533330143 931840448 /nfs/dbraw/zinc/84/04/48/931840448.db2.gz GQJBVRXYUIKRSE-YWZLYKJASA-N 0 1 402.947 4.457 20 0 HIADMN CCOc1cc(CNCc2cn(C)nc2C(F)(F)F)ccc1OCC(F)(F)F ZINC000533360578 931848313 /nfs/dbraw/zinc/84/83/13/931848313.db2.gz ZAWLZJXINUKTGY-UHFFFAOYSA-N 0 1 411.346 4.069 20 0 HIADMN CCN(C(=O)CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1)c1ccccc1 ZINC000533370719 931851528 /nfs/dbraw/zinc/85/15/28/931851528.db2.gz XJYADDHSUMOUPG-GOSISDBHSA-N 0 1 408.477 4.108 20 0 HIADMN Cc1noc(C)c1CN1CCN(CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000533371024 931851660 /nfs/dbraw/zinc/85/16/60/931851660.db2.gz OJGBLINHBCGKAC-UHFFFAOYSA-N 0 1 411.468 4.287 20 0 HIADMN Cc1cccnc1[C@@H](NCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1)C(C)C ZINC000533380143 931853437 /nfs/dbraw/zinc/85/34/37/931853437.db2.gz FMASGJZJHGMBPY-QHCPKHFHSA-N 0 1 423.557 4.034 20 0 HIADMN COc1ccccc1NC(=O)[C@@H](C)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000533386597 931855028 /nfs/dbraw/zinc/85/50/28/931855028.db2.gz YKSOATOVIKMZNB-QGZVFWFLSA-N 0 1 424.520 4.126 20 0 HIADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(CC1=Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000533401560 931858834 /nfs/dbraw/zinc/85/88/34/931858834.db2.gz WGXRVGQFSYUDBO-ZDUSSCGKSA-N 0 1 423.460 4.253 20 0 HIADMN CCCN(CC(=O)Nc1ccccc1C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000533463706 931875940 /nfs/dbraw/zinc/87/59/40/931875940.db2.gz DEZFSTREOWDGLO-LJQANCHMSA-N 0 1 408.464 4.268 20 0 HIADMN O=C(COc1ccccc1CNCc1cccc(-c2ccccn2)c1)N1CCCC1 ZINC000533496441 931884530 /nfs/dbraw/zinc/88/45/30/931884530.db2.gz RVJVZIRCHFZCKT-UHFFFAOYSA-N 0 1 401.510 4.040 20 0 HIADMN CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533503443 931886233 /nfs/dbraw/zinc/88/62/33/931886233.db2.gz LEETVGGHCLKSCX-DOTOQJQBSA-N 0 1 404.942 4.120 20 0 HIADMN C[C@H](C(=O)N1CCSc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533524323 931893655 /nfs/dbraw/zinc/89/36/55/931893655.db2.gz JHGXZAPJVPRMFF-MRXNPFEDSA-N 0 1 406.555 4.270 20 0 HIADMN COc1ccc([C@@H](NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)C(C)C)cc1 ZINC000533524943 931894330 /nfs/dbraw/zinc/89/43/30/931894330.db2.gz XLAGGOSUAZJWJA-DEOSSOPVSA-N 0 1 420.557 4.264 20 0 HIADMN O=C(CNC1(c2ccc(F)cc2)CC1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000533527156 931894807 /nfs/dbraw/zinc/89/48/07/931894807.db2.gz LQNUTBJANUIVCK-UHFFFAOYSA-N 0 1 409.486 4.357 20 0 HIADMN COC(=O)CC1(NCc2csc(-c3cccc(OC)c3OC)n2)CCCCC1 ZINC000533527126 931894827 /nfs/dbraw/zinc/89/48/27/931894827.db2.gz CYGFXWWGYZHYHI-UHFFFAOYSA-N 0 1 404.532 4.183 20 0 HIADMN CC(C)[C@@H](NC(=O)CNC1(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000533526880 931894893 /nfs/dbraw/zinc/89/48/93/931894893.db2.gz KEAPIDIHJDXFDT-HSZRJFAPSA-N 0 1 412.505 4.079 20 0 HIADMN Cc1cccc(NC2CCN(CC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)c1 ZINC000533532486 931896051 /nfs/dbraw/zinc/89/60/51/931896051.db2.gz NEUWFZTTZQPBEQ-QGZVFWFLSA-N 0 1 401.501 4.369 20 0 HIADMN COc1cc(NC2CCN(Cc3cnc(-c4ccccc4)nc3)CC2)cc(OC)c1 ZINC000533533940 931896761 /nfs/dbraw/zinc/89/67/61/931896761.db2.gz SRQAOUZATKDTIP-UHFFFAOYSA-N 0 1 404.514 4.237 20 0 HIADMN Cc1nc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)ccc2n1C ZINC000533549280 931898649 /nfs/dbraw/zinc/89/86/49/931898649.db2.gz DXKLFCCHBDQUFW-UHFFFAOYSA-N 0 1 403.813 4.355 20 0 HIADMN CC(=O)N(c1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cs1)c1ccc(F)cc1 ZINC000533637146 931938681 /nfs/dbraw/zinc/93/86/81/931938681.db2.gz ZZMHUVVCQGRWAI-ZCNNSNEGSA-N 0 1 415.534 4.404 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)[nH]2)c1 ZINC000533678612 931965704 /nfs/dbraw/zinc/96/57/04/931965704.db2.gz MUYVXJCKKQBVSL-UHFFFAOYSA-N 0 1 406.486 4.174 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(OC)c(Br)c3)[nH]2)c1 ZINC000533710090 931982496 /nfs/dbraw/zinc/98/24/96/931982496.db2.gz PJTZGBPDSDEBOS-UHFFFAOYSA-N 0 1 416.275 4.417 20 0 HIADMN COc1ccc(-c2nnc(CN3CCC[C@H]3Cn3c(C)nc4ccccc43)o2)cc1 ZINC000533763093 932017055 /nfs/dbraw/zinc/01/70/55/932017055.db2.gz XBSXSSPHUYABLR-SFHVURJKSA-N 0 1 403.486 4.068 20 0 HIADMN CC(=O)c1ccc2c(c1)CCN(C[C@@H](O)COc1cc(Cl)ccc1Cl)CC2 ZINC000533765747 932020342 /nfs/dbraw/zinc/02/03/42/932020342.db2.gz IBEDRHCTLJELGF-LJQANCHMSA-N 0 1 408.325 4.037 20 0 HIADMN C[C@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1ncc(Br)s1 ZINC000533783504 932031109 /nfs/dbraw/zinc/03/11/09/932031109.db2.gz QKGLRLVSAKGLSM-ZDUSSCGKSA-N 0 1 408.365 4.109 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N1CC=C(C(F)(F)F)CC1)N1CCCCC1 ZINC000533846710 932058960 /nfs/dbraw/zinc/05/89/60/932058960.db2.gz UMZGGTUHLVZYJU-GOSISDBHSA-N 0 1 411.468 4.126 20 0 HIADMN C[C@@H](NC(=O)CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccccc1Cl ZINC000533866118 932070868 /nfs/dbraw/zinc/07/08/68/932070868.db2.gz PLWITGWZOYCCQR-BEFAXECRSA-N 0 1 409.921 4.139 20 0 HIADMN C[C@@H](NC(=O)CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1ccccc1Cl ZINC000533866118 932070875 /nfs/dbraw/zinc/07/08/75/932070875.db2.gz PLWITGWZOYCCQR-BEFAXECRSA-N 0 1 409.921 4.139 20 0 HIADMN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000533870117 932072237 /nfs/dbraw/zinc/07/22/37/932072237.db2.gz VMLDMDMERRZJDT-CXAGYDPISA-N 0 1 414.868 4.395 20 0 HIADMN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000533870117 932072243 /nfs/dbraw/zinc/07/22/43/932072243.db2.gz VMLDMDMERRZJDT-CXAGYDPISA-N 0 1 414.868 4.395 20 0 HIADMN CN1CCN(Cc2ccc(NC(=O)c3ccc(OC4CCC4)cc3Cl)cc2)CC1 ZINC000533911887 932095218 /nfs/dbraw/zinc/09/52/18/932095218.db2.gz NAYSNSUMRKJCSI-UHFFFAOYSA-N 0 1 413.949 4.271 20 0 HIADMN CCOc1ccccc1[C@H](CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)NC(C)=O ZINC000533966748 932142721 /nfs/dbraw/zinc/14/27/21/932142721.db2.gz GQEHECDBITWWOH-INIZCTEOSA-N 0 1 416.428 4.105 20 0 HIADMN Cc1ccc(-c2nc(SCC(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)n[nH]2)cc1 ZINC000533968641 932145464 /nfs/dbraw/zinc/14/54/64/932145464.db2.gz CWFUAVGYJQWBRR-UHFFFAOYSA-N 0 1 414.441 4.325 20 0 HIADMN Cc1nc(C)n(-c2ccccc2NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)n1 ZINC000534014657 932196092 /nfs/dbraw/zinc/19/60/92/932196092.db2.gz VLJVGCQRCXETGH-NRFANRHFSA-N 0 1 415.501 4.438 20 0 HIADMN Clc1cc(Br)cc2c1CC[C@H]2NCc1cccnc1N1CCOCC1 ZINC000534059024 932238397 /nfs/dbraw/zinc/23/83/97/932238397.db2.gz JIEIXAFRSMFOGD-GOSISDBHSA-N 0 1 422.754 4.111 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(NC(=O)c4cccs4)c(C)c3)n2)o1 ZINC000534065654 932243165 /nfs/dbraw/zinc/24/31/65/932243165.db2.gz WIFNTNNAJQXMTG-UHFFFAOYSA-N 0 1 407.455 4.248 20 0 HIADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000534111102 932284647 /nfs/dbraw/zinc/28/46/47/932284647.db2.gz UJWNAFJLONAWIW-KUDFPVQQSA-N 0 1 402.922 4.121 20 0 HIADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1cccc(NC(=O)C2CC2)c1 ZINC000534206109 932330817 /nfs/dbraw/zinc/33/08/17/932330817.db2.gz MTLLQPAVOJRJLR-UHFFFAOYSA-N 0 1 409.667 4.409 20 0 HIADMN COc1ccc(C)cc1CC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222213 932341660 /nfs/dbraw/zinc/34/16/60/932341660.db2.gz RPLQJBZBHSUXAJ-ZHRRBRCNSA-N 0 1 404.913 4.148 20 0 HIADMN COc1cc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cc(OC)c1C ZINC000534226218 932345559 /nfs/dbraw/zinc/34/55/59/932345559.db2.gz PZDVAHPNESSDOR-YCRPNKLZSA-N 0 1 420.912 4.228 20 0 HIADMN Cc1ccc(OCC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1 ZINC000534226801 932345616 /nfs/dbraw/zinc/34/56/16/932345616.db2.gz RVZNYJTXSBLVMQ-JTSKRJEESA-N 0 1 404.913 4.284 20 0 HIADMN COc1ccccc1[C@@H](NC(=O)NCc1ccc(CN(C)C)c(F)c1)c1ccccc1 ZINC000534226271 932345740 /nfs/dbraw/zinc/34/57/40/932345740.db2.gz 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413.403 4.062 20 0 HIADMN COC(=O)COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000541545882 939549999 /nfs/dbraw/zinc/54/99/99/939549999.db2.gz OKRLJYLZMKHODG-ZIAGYGMSSA-N 0 1 422.319 4.421 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cnc2ccc(F)cc2c1 ZINC000541546259 939550019 /nfs/dbraw/zinc/55/00/19/939550019.db2.gz BRIAWOQXZAMYEX-KRWDZBQOSA-N 0 1 415.350 4.030 20 0 HIADMN O=C(CCc1ccccc1)N1CC[C@H](N[C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000541545446 939550099 /nfs/dbraw/zinc/55/00/99/939550099.db2.gz NAYLOXLYHDDMBO-UKILVPOCSA-N 0 1 403.501 4.133 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1 ZINC000541547089 939551126 /nfs/dbraw/zinc/55/11/26/939551126.db2.gz PQKKGZYVBGUAOG-AWEZNQCLSA-N 0 1 414.309 4.362 20 0 HIADMN Fc1ccc([C@@H](NC[C@@H](c2ccccc2)N2CCOCC2)c2cccnc2)c(F)c1 ZINC000541548406 939551680 /nfs/dbraw/zinc/55/16/80/939551680.db2.gz CZBYDADXRXKYEU-ZEQRLZLVSA-N 0 1 409.480 4.112 20 0 HIADMN C[C@@H]1C[C@H](CCN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CCO1 ZINC000541559538 939554920 /nfs/dbraw/zinc/55/49/20/939554920.db2.gz VCZNKVTUPRWFFC-XCGNWRKASA-N 0 1 423.525 4.253 20 0 HIADMN C[C@@H](NCc1ncc(Br)cc1Br)[C@H]1COc2ccccc21 ZINC000541587706 939561337 /nfs/dbraw/zinc/56/13/37/939561337.db2.gz VHCCOXIBMYWLHV-ZWNOBZJWSA-N 0 1 412.125 4.261 20 0 HIADMN O=C(CN[C@@H](c1cccnc1)C1CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000541589172 939561413 /nfs/dbraw/zinc/56/14/13/939561413.db2.gz XXMDVLJUVUCONT-PGRDOPGGSA-N 0 1 406.511 4.155 20 0 HIADMN CC[C@H](NCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)c1c(C)nn(C)c1C ZINC000541598641 939563479 /nfs/dbraw/zinc/56/34/79/939563479.db2.gz ZEILGMSATJFIDM-NZQKXSOJSA-N 0 1 400.542 4.264 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000541600082 939563858 /nfs/dbraw/zinc/56/38/58/939563858.db2.gz XXYSTVDVAGIVRO-BFTSITSZSA-N 0 1 402.505 4.042 20 0 HIADMN COC(=O)C[C@H](NCc1csc(-c2ccc(OC)cc2OC)n1)C1CCCCC1 ZINC000541601930 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404.264 4.135 20 0 HIADMN Cc1cc(CNC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)ccc1Cl ZINC000541713169 939611967 /nfs/dbraw/zinc/61/19/67/939611967.db2.gz IXSKHRFDBZJKRF-MRXNPFEDSA-N 0 1 413.949 4.263 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000541717721 939613488 /nfs/dbraw/zinc/61/34/88/939613488.db2.gz FSYWVMTZPUOQEM-QFIPXVFZSA-N 0 1 410.562 4.099 20 0 HIADMN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N2CCN(C)[C@H](C)[C@H]2C)n1 ZINC000541727500 939615553 /nfs/dbraw/zinc/61/55/53/939615553.db2.gz SQVNHJGHDWEZSZ-HUUCEWRRSA-N 0 1 409.456 4.064 20 0 HIADMN CCC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000541738677 939617789 /nfs/dbraw/zinc/61/77/89/939617789.db2.gz QHGPSIJNWLSXQC-GOSISDBHSA-N 0 1 416.543 4.291 20 0 HIADMN C[C@H](C(=O)N[C@H](c1nnc[nH]1)c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000541746972 939619559 /nfs/dbraw/zinc/61/95/59/939619559.db2.gz PYUQDWMCLAKSGM-JTSKRJEESA-N 0 1 410.477 4.045 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1 ZINC000541769551 939626369 /nfs/dbraw/zinc/62/63/69/939626369.db2.gz IUCZAVZRVBPGRM-NFBKMPQASA-N 0 1 411.571 4.002 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1ccco1 ZINC000541800265 939636126 /nfs/dbraw/zinc/63/61/26/939636126.db2.gz XWUCWZZNLKMUBG-KRWDZBQOSA-N 0 1 424.549 4.362 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1c2ccccc2nc2c1CN(CC)CC2)c1ccco1 ZINC000541891859 939649856 /nfs/dbraw/zinc/64/98/56/939649856.db2.gz FEAVEKDYEQIPFO-QFIPXVFZSA-N 0 1 420.557 4.019 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)Nc1cc2c(cc1C)OCO2)N1CCCCC1 ZINC000541907990 939651460 /nfs/dbraw/zinc/65/14/60/939651460.db2.gz CAYOROJUOGYSRA-IBGZPJMESA-N 0 1 411.502 4.081 20 0 HIADMN Cc1cc2c(cc1NC(=O)NCC1CCN(Cc3ccccc3Cl)CC1)OCO2 ZINC000541908424 939651796 /nfs/dbraw/zinc/65/17/96/939651796.db2.gz PUHBLJWLEDFVLS-UHFFFAOYSA-N 0 1 415.921 4.411 20 0 HIADMN CC(C)[C@H]1C[C@H](CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)CCO1 ZINC000541908602 939651880 /nfs/dbraw/zinc/65/18/80/939651880.db2.gz SPIBICDVCDGNHU-IUODEOHRSA-N 0 1 407.312 4.014 20 0 HIADMN CCc1ccccc1NC(=O)C[C@H](C)N[C@@H](CCO)c1ccccc1Br ZINC000541916728 939653255 /nfs/dbraw/zinc/65/32/55/939653255.db2.gz MKFBAINUTXGXKG-YWZLYKJASA-N 0 1 419.363 4.442 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1)N1CCCCC1 ZINC000541941901 939659161 /nfs/dbraw/zinc/65/91/61/939659161.db2.gz LBFTXLWTOUERDK-IEIRFRATSA-N 0 1 402.579 4.180 20 0 HIADMN CC(C)[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)c1ccc(Cl)cc1F ZINC000541971304 939666253 /nfs/dbraw/zinc/66/62/53/939666253.db2.gz GBIXEAMIWNGLEZ-LJQANCHMSA-N 0 1 420.916 4.158 20 0 HIADMN COC(=O)c1ccc(-c2nc(CN3CCC(c4nc5ccccc5[nH]4)CC3)co2)cc1 ZINC000541999997 939675841 /nfs/dbraw/zinc/67/58/41/939675841.db2.gz HGPNLHXOXHMUPQ-UHFFFAOYSA-N 0 1 416.481 4.384 20 0 HIADMN CCN(Cc1ccccc1Br)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000542018833 939687969 /nfs/dbraw/zinc/68/79/69/939687969.db2.gz AQNSOLGGUXAKCM-UHFFFAOYSA-N 0 1 422.342 4.382 20 0 HIADMN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1Cl ZINC000542091960 939707858 /nfs/dbraw/zinc/70/78/58/939707858.db2.gz BKMNYRNTHPGDHH-UHFFFAOYSA-N 0 1 406.660 4.245 20 0 HIADMN CCCc1c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1 ZINC000542118368 939720600 /nfs/dbraw/zinc/72/06/00/939720600.db2.gz WZJHYXYIRUWNGV-QGZVFWFLSA-N 0 1 419.533 4.232 20 0 HIADMN COc1cccc(CN(C)C(=O)CN[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000542124311 939722175 /nfs/dbraw/zinc/72/21/75/939722175.db2.gz ZXLLDTAXUNIQKC-HSZRJFAPSA-N 0 1 423.944 4.276 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N2CCC(c3cccc(Br)c3)CC2)n[nH]1 ZINC000542138445 939727720 /nfs/dbraw/zinc/72/77/20/939727720.db2.gz FTBFKTNQWOWBJQ-ZDUSSCGKSA-N 0 1 405.340 4.001 20 0 HIADMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(c2cccc(Br)c2)CC1 ZINC000542141534 939728632 /nfs/dbraw/zinc/72/86/32/939728632.db2.gz XVQYGNMUFMPKIJ-KRWDZBQOSA-N 0 1 403.324 4.139 20 0 HIADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3cccs3)o2)CC1 ZINC000542144109 939729211 /nfs/dbraw/zinc/72/92/11/939729211.db2.gz VOSYWKYHBGUGMS-UHFFFAOYSA-N 0 1 409.511 4.038 20 0 HIADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000542152303 939732600 /nfs/dbraw/zinc/73/26/00/939732600.db2.gz RERUTZCPWWIMBD-MFKMUULPSA-N 0 1 409.577 4.374 20 0 HIADMN COC(=O)c1cccc(NC(=O)C[C@H](C)NCc2nc3cc(Cl)ccc3s2)c1 ZINC000542154960 939734299 /nfs/dbraw/zinc/73/42/99/939734299.db2.gz KVLKCDFDOISCGM-LBPRGKRZSA-N 0 1 417.918 4.243 20 0 HIADMN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H]1COc2ccc(Cl)cc21 ZINC000542162753 939738164 /nfs/dbraw/zinc/73/81/64/939738164.db2.gz VBFMSNOFZUVUBM-ORAYPTAESA-N 0 1 413.905 4.129 20 0 HIADMN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1COc2ccc(Cl)cc21 ZINC000542162756 939738679 /nfs/dbraw/zinc/73/86/79/939738679.db2.gz VBFMSNOFZUVUBM-YJYMSZOUSA-N 0 1 413.905 4.129 20 0 HIADMN C[C@H](CN(C)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1nccs1 ZINC000542237666 939770011 /nfs/dbraw/zinc/77/00/11/939770011.db2.gz BJSRZJGCEMLPCT-QIIPPGSGSA-N 0 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/nfs/dbraw/zinc/86/04/16/941860416.db2.gz SXYCQZZIKNICKF-SFHVURJKSA-N 0 1 406.501 4.452 20 0 HIADMN Cc1ncc2n1C[C@H](C(=O)Nc1ccc3nc(-c4cc(F)ccc4F)[nH]c3c1)CC2 ZINC000553337143 941869175 /nfs/dbraw/zinc/86/91/75/941869175.db2.gz ZHNOZPUOIVFEHG-CYBMUJFWSA-N 0 1 407.424 4.214 20 0 HIADMN C[C@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553381581 941876972 /nfs/dbraw/zinc/87/69/72/941876972.db2.gz YQNNFPJSQKBJPI-KPZWWZAWSA-N 0 1 405.376 4.291 20 0 HIADMN CC(C)CO[C@H]1C[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)C1(C)C ZINC000553400838 941879559 /nfs/dbraw/zinc/87/95/59/941879559.db2.gz PMRKGKJZECXQES-OALUTQOASA-N 0 1 401.576 4.002 20 0 HIADMN Cc1cc2cc(CNC(=O)NCc3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)ccc2[nH]1 ZINC000553443111 941886008 /nfs/dbraw/zinc/88/60/08/941886008.db2.gz NVOKGAXERDAZJH-OALUTQOASA-N 0 1 420.557 4.085 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000553471944 941890729 /nfs/dbraw/zinc/89/07/29/941890729.db2.gz HJTDKBLEUMIPRU-SMIHKQSGSA-N 0 1 404.558 4.024 20 0 HIADMN CCCCCN(C(=O)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C(C)C ZINC000553487764 941894281 /nfs/dbraw/zinc/89/42/81/941894281.db2.gz HBSBKQGRJFDZDF-UHFFFAOYSA-N 0 1 422.013 4.095 20 0 HIADMN CC1(C)CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000553545271 941906114 /nfs/dbraw/zinc/90/61/14/941906114.db2.gz HRSOKQYDMKGPMF-LJQANCHMSA-N 0 1 408.514 4.203 20 0 HIADMN CCC[C@@H]1CN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CCN1Cc1ccccc1 ZINC000553555851 941908289 /nfs/dbraw/zinc/90/82/89/941908289.db2.gz CUNAFOIKHGITKK-RPWUZVMVSA-N 0 1 416.569 4.445 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N1CCC=C(c2ccncc2)C1)N1CCCCC1 ZINC000553582183 941914309 /nfs/dbraw/zinc/91/43/09/941914309.db2.gz LWLNTEIARHJSIX-HSZRJFAPSA-N 0 1 420.557 4.116 20 0 HIADMN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)c(O)cc1F)c1ccccc1 ZINC000553688938 941944031 /nfs/dbraw/zinc/94/40/31/941944031.db2.gz WDSSCFFQJMRSDG-IBGZPJMESA-N 0 1 412.848 4.165 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1 ZINC000553730818 941954374 /nfs/dbraw/zinc/95/43/74/941954374.db2.gz JDCNTTIFYPKZIA-FQEVSTJZSA-N 0 1 409.530 4.113 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1 ZINC000553738344 941956201 /nfs/dbraw/zinc/95/62/01/941956201.db2.gz RBMGTTGFXFZUNE-UHFFFAOYSA-N 0 1 408.477 4.215 20 0 HIADMN CCc1c(C(=O)N(C)CCCN(C)Cc2ccco2)cnn1-c1cccc(Cl)c1 ZINC000553739283 941956265 /nfs/dbraw/zinc/95/62/65/941956265.db2.gz BZNGRWMIWVLFBH-UHFFFAOYSA-N 0 1 414.937 4.275 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)n[nH]1 ZINC000553781885 941967220 /nfs/dbraw/zinc/96/72/20/941967220.db2.gz DXIBKRZZFAFPTC-GFCCVEGCSA-N 0 1 419.451 4.149 20 0 HIADMN Cc1ccc2nc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000553812333 941974607 /nfs/dbraw/zinc/97/46/07/941974607.db2.gz UKZAYCQRRSUGDN-UHFFFAOYSA-N 0 1 418.526 4.119 20 0 HIADMN Cc1ccc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000553826915 941978519 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HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)NCC1(c2ccccn2)CCC1 ZINC000553985682 942013800 /nfs/dbraw/zinc/01/38/00/942013800.db2.gz DWBIZDUDVLUMNG-HXUWFJFHSA-N 0 1 412.965 4.293 20 0 HIADMN Cc1nc([C@H](C)NC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)n[nH]1 ZINC000554068031 942028924 /nfs/dbraw/zinc/02/89/24/942028924.db2.gz RUSZBYQZZVHGLD-LBPRGKRZSA-N 0 1 401.417 4.188 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)Cc2cccc3ccc(OC)cc32)c1 ZINC000554075828 942030572 /nfs/dbraw/zinc/03/05/72/942030572.db2.gz ONDFFGMSQLWKAS-UHFFFAOYSA-N 0 1 419.525 4.310 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000554078224 942031352 /nfs/dbraw/zinc/03/13/52/942031352.db2.gz FXNUPDHGTKPILQ-INIZCTEOSA-N 0 1 417.937 4.335 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)COc2ccccc2C(F)(F)F)c1 ZINC000554079659 942031942 /nfs/dbraw/zinc/03/19/42/942031942.db2.gz YHQJLYOILCHOJB-UHFFFAOYSA-N 0 1 423.435 4.003 20 0 HIADMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000554132471 942044766 /nfs/dbraw/zinc/04/47/66/942044766.db2.gz UTSSONJZVAQMBB-VWKPWSFCSA-N 0 1 414.981 4.004 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(N[C@H](C)c2ncc(Br)s2)c1 ZINC000554144587 942048707 /nfs/dbraw/zinc/04/87/07/942048707.db2.gz FQJABXBHPAZTOK-GFCCVEGCSA-N 0 1 411.369 4.359 20 0 HIADMN COCc1cccc(CNC(=O)CN(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c1 ZINC000554275780 942087097 /nfs/dbraw/zinc/08/70/97/942087097.db2.gz GXINNANYPKEFKG-INIZCTEOSA-N 0 1 408.464 4.031 20 0 HIADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000554283880 942090925 /nfs/dbraw/zinc/09/09/25/942090925.db2.gz BOJWHVFNTZWWJC-FQEVSTJZSA-N 0 1 406.929 4.320 20 0 HIADMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(Br)cc2)c(C)c1OC ZINC000554291231 942092227 /nfs/dbraw/zinc/09/22/27/942092227.db2.gz MNVHWUWNJGNPIU-UONOGXRCSA-N 0 1 421.335 4.453 20 0 HIADMN COc1ccc([C@H](C)NCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)c(C)c1OC ZINC000554292546 942093415 /nfs/dbraw/zinc/09/34/15/942093415.db2.gz ALAKETGAMFFYOE-SFHVURJKSA-N 0 1 422.529 4.104 20 0 HIADMN COc1ccc([C@@H](NC[C@@H](O)COc2ccc(C(C)=O)cc2)c2ccc(F)cc2)cc1 ZINC000554370569 942116982 /nfs/dbraw/zinc/11/69/82/942116982.db2.gz UXVNODPEJQWZBZ-RDGATRHJSA-N 0 1 423.484 4.156 20 0 HIADMN COc1cc(CNCC(=O)Nc2ccc(Br)c(C)c2)ccc1SC ZINC000554387552 942122439 /nfs/dbraw/zinc/12/24/39/942122439.db2.gz VIGJLBYCLWDDAU-UHFFFAOYSA-N 0 1 409.349 4.216 20 0 HIADMN O=C(Nc1ccccc1OC(F)F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000554439278 942143442 /nfs/dbraw/zinc/14/34/42/942143442.db2.gz TZCZBOKMLOFWTQ-HNNXBMFYSA-N 0 1 413.428 4.485 20 0 HIADMN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)C1 ZINC000554541234 942165331 /nfs/dbraw/zinc/16/53/31/942165331.db2.gz XIVCYMNBOZEPPA-IEZKXTBUSA-N 0 1 420.601 4.158 20 0 HIADMN CCOC(=O)c1cccc(N(CC)C(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000554562306 942168039 /nfs/dbraw/zinc/16/80/39/942168039.db2.gz YLKQFQKSLNDWRI-UHFFFAOYSA-N 0 1 416.275 4.169 20 0 HIADMN CC(=O)NCCN(Cc1ccc(Br)s1)[C@@H](C)Cc1ccsc1 ZINC000554574009 942169760 /nfs/dbraw/zinc/16/97/60/942169760.db2.gz GFCVSTZBURYALN-LBPRGKRZSA-N 0 1 401.395 4.141 20 0 HIADMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)N1CCC(C2CCOCC2)CC1 ZINC000554587638 942172823 /nfs/dbraw/zinc/17/28/23/942172823.db2.gz XAZFHNAPEFEUGJ-JOCHJYFZSA-N 0 1 419.997 4.325 20 0 HIADMN C[C@H](NCCC(=O)NCc1ccccc1Cl)c1nc2ccccc2n1C(F)F ZINC000554636364 942181807 /nfs/dbraw/zinc/18/18/07/942181807.db2.gz DJNIHZJZQRTNJL-ZDUSSCGKSA-N 0 1 406.864 4.442 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c(Cl)c1 ZINC000554683620 942197737 /nfs/dbraw/zinc/19/77/37/942197737.db2.gz NSXYKHIKSWAOSK-CQSZACIVSA-N 0 1 422.934 4.164 20 0 HIADMN COc1ccc(Br)c(CNc2ccc(Cl)c(CN(C)CCO)c2)c1 ZINC000554718477 942210170 /nfs/dbraw/zinc/21/01/70/942210170.db2.gz UWONNIHBGFUSIP-UHFFFAOYSA-N 0 1 413.743 4.147 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NCc2cccc(Br)c2OC)c1 ZINC000554721834 942211743 /nfs/dbraw/zinc/21/17/43/942211743.db2.gz QNZNACCPONLPCJ-UHFFFAOYSA-N 0 1 420.351 4.350 20 0 HIADMN COc1cccc(OC)c1OCCCCN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000554738133 942216976 /nfs/dbraw/zinc/21/69/76/942216976.db2.gz LPVKNEVKPGJHDF-VGOFRKELSA-N 0 1 403.494 4.464 20 0 HIADMN CCOc1cc(CNCc2cccc(NC(=O)CC)c2)cc(Br)c1O ZINC000554775091 942231729 /nfs/dbraw/zinc/23/17/29/942231729.db2.gz ZERWWPIYAFEJRD-UHFFFAOYSA-N 0 1 407.308 4.192 20 0 HIADMN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000554828197 942266666 /nfs/dbraw/zinc/26/66/66/942266666.db2.gz KPENUMFVZUGKEI-UHFFFAOYSA-N 0 1 418.516 4.196 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)NCc1cc2ccccc2[nH]1)N1CCCCC1 ZINC000554844527 942282453 /nfs/dbraw/zinc/28/24/53/942282453.db2.gz WVTFMEFFVDHFFC-JOCHJYFZSA-N 0 1 406.530 4.203 20 0 HIADMN COc1cc(CN2C[C@@H](C)CC[C@H]2c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000554867969 942300501 /nfs/dbraw/zinc/30/05/01/942300501.db2.gz XCTNABUJVXNDFS-KXBFYZLASA-N 0 1 402.922 4.186 20 0 HIADMN COc1cccc2c(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)ccc3OC)n[nH]c21 ZINC000554892973 942310671 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COc1cccc([C@H](NC(=O)c2ccc3cncn3c2)c2cc(F)ccc2OC)c1 ZINC000559549712 944002085 /nfs/dbraw/zinc/00/20/85/944002085.db2.gz ZDDORKUNVTYPPG-QFIPXVFZSA-N 0 1 405.429 4.010 20 0 HIADMN CN1CC[C@@H](NC(=O)c2cc(Cl)cc(F)c2Br)[C@H]1c1ccccc1 ZINC000559568025 944007514 /nfs/dbraw/zinc/00/75/14/944007514.db2.gz WNGILWHFPZZVFA-NVXWUHKLSA-N 0 1 411.702 4.417 20 0 HIADMN CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000559581140 944011032 /nfs/dbraw/zinc/01/10/32/944011032.db2.gz MHHYBBQFAABHGZ-OAHLLOKOSA-N 0 1 421.463 4.073 20 0 HIADMN O=C([C@@H]1CCC(=O)c2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000559617936 944018293 /nfs/dbraw/zinc/01/82/93/944018293.db2.gz CMYJTDDEMBQGOI-YLJYHZDGSA-N 0 1 406.530 4.319 20 0 HIADMN O=S(=O)(CCN[C@@H]1CCc2sc(Br)cc21)c1ccc(Cl)cc1 ZINC000559744578 944043213 /nfs/dbraw/zinc/04/32/13/944043213.db2.gz HBXLWLJNYWPYRD-CYBMUJFWSA-N 0 1 420.781 4.215 20 0 HIADMN Fc1ccc(CN2CCC[C@@H](N[C@H](c3cccs3)c3nnc[nH]3)C2)c(Cl)c1 ZINC000559767324 944046909 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COc1cccc([C@@H](CNC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)N(C)C)c1 ZINC000058890929 850952454 /nfs/dbraw/zinc/95/24/54/850952454.db2.gz LPAJVYFRAXVVCW-OAQYLSRUSA-N 0 1 412.534 4.104 20 0 HIADMN CC(C)Cc1ccc(C(=O)C2CCN(C[C@@H](O)COc3ccc(F)cc3)CC2)cc1 ZINC000058934355 850961443 /nfs/dbraw/zinc/96/14/43/850961443.db2.gz SOJJDGOBQGOIEA-HSZRJFAPSA-N 0 1 413.533 4.359 20 0 HIADMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000059403447 851004618 /nfs/dbraw/zinc/00/46/18/851004618.db2.gz JYPVNFKXNKZLKI-MRXNPFEDSA-N 0 1 407.739 4.497 20 0 HIADMN COc1cc(NC(=O)CN(C2CC2)[C@@H]2CCCc3ccccc32)cc(OC)c1OC ZINC000060061531 851036311 /nfs/dbraw/zinc/03/63/11/851036311.db2.gz VUWIXTZNNPDMPE-HXUWFJFHSA-N 0 1 410.514 4.193 20 0 HIADMN CCOc1ccc(C(=O)CCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000060238960 851054513 /nfs/dbraw/zinc/05/45/13/851054513.db2.gz XQQAVSMPLAMVEY-QHCPKHFHSA-N 0 1 408.542 4.310 20 0 HIADMN C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000060344450 851069348 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COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000060487447 851116331 /nfs/dbraw/zinc/11/63/31/851116331.db2.gz WUYPYKMNCDAIRL-UHFFFAOYSA-N 0 1 410.495 4.365 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000060487721 851117337 /nfs/dbraw/zinc/11/73/37/851117337.db2.gz BTJHVVQTUXBERT-UHFFFAOYSA-N 0 1 418.421 4.027 20 0 HIADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCc3ccccc32)c1 ZINC000060525534 851133525 /nfs/dbraw/zinc/13/35/25/851133525.db2.gz YEFWNSAOOYXWHU-UHFFFAOYSA-N 0 1 406.507 4.307 20 0 HIADMN CC(C)(C)NC(=O)CNCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000060526879 851135229 /nfs/dbraw/zinc/13/52/29/851135229.db2.gz CHHRWQIGYMHFGB-UHFFFAOYSA-N 0 1 402.498 4.290 20 0 HIADMN O=S(=O)(Nc1cccc2ccccc21)c1cc2c(cc1Br)OCCO2 ZINC000060838019 851227417 /nfs/dbraw/zinc/22/74/17/851227417.db2.gz DHJCAOAUQMYYDZ-UHFFFAOYSA-N 0 1 420.284 4.174 20 0 HIADMN CC(C)Cn1c(=S)n(CN2CCC[C@H]2CC2CCCCC2)nc1N1CCOCC1 ZINC000060857723 851232500 /nfs/dbraw/zinc/23/25/00/851232500.db2.gz DRLXJTRRUWQICJ-FQEVSTJZSA-N 0 1 421.655 4.299 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000060919819 851248564 /nfs/dbraw/zinc/24/85/64/851248564.db2.gz ZZWUIEDWSOSNKY-KRWDZBQOSA-N 0 1 409.433 4.416 20 0 HIADMN C=C(C)COc1cc(CNCC(=O)Nc2ccc(Br)cc2)ccc1OC ZINC000060949723 851255656 /nfs/dbraw/zinc/25/56/56/851255656.db2.gz YBBJSPFXXZMFEW-UHFFFAOYSA-N 0 1 419.319 4.141 20 0 HIADMN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1CNCCNC(=O)C(C)C ZINC000061014716 851273171 /nfs/dbraw/zinc/27/31/71/851273171.db2.gz GPIOTDBSWLPKRY-UHFFFAOYSA-N 0 1 417.768 4.062 20 0 HIADMN Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC[C@H](c1ccco1)N1CCCC1 ZINC000061013963 851273701 /nfs/dbraw/zinc/27/37/01/851273701.db2.gz DNPFAGOATIOPFG-LJQANCHMSA-N 0 1 402.901 4.493 20 0 HIADMN C[C@@H]1CN(Cc2ccccc2NCC(=O)N(C)[C@@H]2CCCc3ccccc32)C[C@H](C)O1 ZINC000061020483 851275875 /nfs/dbraw/zinc/27/58/75/851275875.db2.gz UCMGTTZRIYBXKW-OHUGHZGNSA-N 0 1 421.585 4.244 20 0 HIADMN COCCOc1ccc([C@H](C)NCc2ccc(Br)cc2F)cc1OC ZINC000061110466 851294828 /nfs/dbraw/zinc/29/48/28/851294828.db2.gz DXIBZMJMWFMSIH-ZDUSSCGKSA-N 0 1 412.299 4.473 20 0 HIADMN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1ccc(Br)cc1Cl ZINC000061122717 851298613 /nfs/dbraw/zinc/29/86/13/851298613.db2.gz LKGYMMDDKMUCJG-UHFFFAOYSA-N 0 1 400.603 4.321 20 0 HIADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2N[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000437039467 862229048 /nfs/dbraw/zinc/22/90/48/862229048.db2.gz HFTYLRRXCHXUOI-RZUBCFFCSA-N 0 1 403.519 4.332 20 0 HIADMN COc1ccc(Cl)cc1CC(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000061308079 851343769 /nfs/dbraw/zinc/34/37/69/851343769.db2.gz BYSRCNBQRIEMSQ-UHFFFAOYSA-N 0 1 404.963 4.387 20 0 HIADMN CC/C=C(/C)C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000061342495 851351948 /nfs/dbraw/zinc/35/19/48/851351948.db2.gz PEIBEVCKUYDSFT-ACAGNQJTSA-N 0 1 408.907 4.444 20 0 HIADMN CCCCc1nc2ccc(NC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2[nH]1 ZINC000061432699 851376348 /nfs/dbraw/zinc/37/63/48/851376348.db2.gz IYTMZLGDYPWVHN-UHFFFAOYSA-N 0 1 420.922 4.183 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(CSc4nccn4C)o3)[nH]c2c1 ZINC000061462145 851383862 /nfs/dbraw/zinc/38/38/62/851383862.db2.gz YBHIULYHSCXPOV-SFHVURJKSA-N 0 1 421.526 4.467 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)c2ccc(CSc3nccn3C)o2)N2CCCC2)cc1 ZINC000061502376 851390368 /nfs/dbraw/zinc/39/03/68/851390368.db2.gz KZIDTTVLUHDTHZ-HXUWFJFHSA-N 0 1 424.570 4.181 20 0 HIADMN CCOc1ccc(C(=O)CCC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000061569135 851407487 /nfs/dbraw/zinc/40/74/87/851407487.db2.gz JNSGNVQLTSGJHJ-UHFFFAOYSA-N 0 1 414.571 4.138 20 0 HIADMN COCCn1ncc2ccc(NC(=O)N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)cc21 ZINC000061787235 851451082 /nfs/dbraw/zinc/45/10/82/851451082.db2.gz VVOCNMCFDXIRIS-HXUWFJFHSA-N 0 1 418.501 4.236 20 0 HIADMN CCOc1ccc([C@H]2CCCN2CC(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1 ZINC000061801842 851458136 /nfs/dbraw/zinc/45/81/36/851458136.db2.gz QZZWPWOHJHJONL-XMMPIXPASA-N 0 1 408.542 4.422 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000062110242 851501928 /nfs/dbraw/zinc/50/19/28/851501928.db2.gz STTSKFBWBJKRIK-INIZCTEOSA-N 0 1 414.358 4.193 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccnc1SC(F)(F)F ZINC000062266881 851519736 /nfs/dbraw/zinc/51/97/36/851519736.db2.gz GICCJKHYFYNUOY-UHFFFAOYSA-N 0 1 413.440 4.227 20 0 HIADMN C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000062489305 851564245 /nfs/dbraw/zinc/56/42/45/851564245.db2.gz SPQKRXFNHIUHQP-QHCPKHFHSA-N 0 1 423.532 4.206 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)CCc4ccccn4)cc3)CC2)c1 ZINC000062879659 851595481 /nfs/dbraw/zinc/59/54/81/851595481.db2.gz VJFBARQCVYMVAO-UHFFFAOYSA-N 0 1 414.553 4.284 20 0 HIADMN Cc1ccc(OC[C@@H](C)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000063071357 851610482 /nfs/dbraw/zinc/61/04/82/851610482.db2.gz YAQOCYKEBJWRKE-LLVKDONJSA-N 0 1 402.804 4.156 20 0 HIADMN Cc1csc(Sc2ccc(NC(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000063163006 851624870 /nfs/dbraw/zinc/62/48/70/851624870.db2.gz MSMFCCYQMSHGLY-HOTGVXAUSA-N 0 1 420.604 4.224 20 0 HIADMN CCOCCOc1c(Cl)cccc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000063398291 851678325 /nfs/dbraw/zinc/67/83/25/851678325.db2.gz BRJZTEUIOOAHKE-SFHVURJKSA-N 0 1 421.925 4.307 20 0 HIADMN COC(=O)c1cccc(OCCSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1 ZINC000063429362 851686561 /nfs/dbraw/zinc/68/65/61/851686561.db2.gz BDMLTJFMDHBGBM-UHFFFAOYSA-N 0 1 419.890 4.091 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)n2)c(OC)c1 ZINC000063531043 851708534 /nfs/dbraw/zinc/70/85/34/851708534.db2.gz WOGBXKYNYYRJEM-UHFFFAOYSA-N 0 1 417.469 4.101 20 0 HIADMN CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000063546362 851711562 /nfs/dbraw/zinc/71/15/62/851711562.db2.gz ARYWLAUNCUELEW-UHFFFAOYSA-N 0 1 400.466 4.024 20 0 HIADMN O[C@@H](CNCc1ccc(Br)cc1F)COc1cccc(Cl)c1Cl ZINC000063566146 851715985 /nfs/dbraw/zinc/71/59/85/851715985.db2.gz RCAYWEJNKVJIPV-LBPRGKRZSA-N 0 1 423.109 4.425 20 0 HIADMN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000063643350 851733108 /nfs/dbraw/zinc/73/31/08/851733108.db2.gz YWPPHVOPPKBNPX-UHFFFAOYSA-N 0 1 421.570 4.134 20 0 HIADMN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000063703575 851743804 /nfs/dbraw/zinc/74/38/04/851743804.db2.gz ZEJUEPVAMYYRFF-ZSOIEALJSA-N 0 1 417.383 4.297 20 0 HIADMN COc1cccc(NC(=O)[C@H](NCCc2ccc(OC)cc2OC)c2ccccc2)c1 ZINC000063774051 851759376 /nfs/dbraw/zinc/75/93/76/851759376.db2.gz GNWPEIKTJUDWCI-XMMPIXPASA-N 0 1 420.509 4.225 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000063899533 851788941 /nfs/dbraw/zinc/78/89/41/851788941.db2.gz KDLUOOZSNFKRCP-XMMPIXPASA-N 0 1 415.537 4.409 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)CC2CCCC2)c1 ZINC000064088844 851825833 /nfs/dbraw/zinc/82/58/33/851825833.db2.gz SACXLYFHQNVOKJ-UHFFFAOYSA-N 0 1 416.543 4.067 20 0 HIADMN C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000064101783 851827878 /nfs/dbraw/zinc/82/78/78/851827878.db2.gz SEWZILAAUJXBGL-UBHSHLNASA-N 0 1 412.433 4.466 20 0 HIADMN CN(Cc1ccc(F)c(F)c1)C[C@H](O)COc1ccc(Cl)cc1Br ZINC000064140419 851834734 /nfs/dbraw/zinc/83/47/34/851834734.db2.gz OMYPZRBEMHCZIU-ZDUSSCGKSA-N 0 1 420.681 4.252 20 0 HIADMN CCn1c(CCNC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)nc2ccccc21 ZINC000064228828 851853073 /nfs/dbraw/zinc/85/30/73/851853073.db2.gz WPBXJQUQHRCWAU-OAQYLSRUSA-N 0 1 416.529 4.330 20 0 HIADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cnn(-c2ccccc2Cl)c1 ZINC000064396753 851888113 /nfs/dbraw/zinc/88/81/13/851888113.db2.gz FYDNVOSLQKSNOP-UHFFFAOYSA-N 0 1 412.946 4.327 20 0 HIADMN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl ZINC000064402877 851890541 /nfs/dbraw/zinc/89/05/41/851890541.db2.gz YSPOHTCGKJGXND-UHFFFAOYSA-N 0 1 420.884 4.111 20 0 HIADMN CCN(CC)C(=O)CNCc1cn(Cc2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000064411480 851891116 /nfs/dbraw/zinc/89/11/16/851891116.db2.gz FXECZCNXQUUYPW-UHFFFAOYSA-N 0 1 404.558 4.173 20 0 HIADMN C[C@H]1CN(c2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)C[C@H](C)O1 ZINC000064478271 851907487 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4.002 20 0 HIADMN CCO[C@H](C)c1nc(CN2CCN(CCSCc3ccccc3)CC2)cs1 ZINC000430753337 858288972 /nfs/dbraw/zinc/28/89/72/858288972.db2.gz JVEFXKKBCCDSBK-GOSISDBHSA-N 0 1 405.633 4.292 20 0 HIADMN Cc1ccc(SC2(C(=O)N3CCC(CCN4CCOCC4)CC3)CCCC2)cc1 ZINC000430771887 858299643 /nfs/dbraw/zinc/29/96/43/858299643.db2.gz HJRDZBSSJMJFTG-UHFFFAOYSA-N 0 1 416.631 4.361 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000430870543 858348085 /nfs/dbraw/zinc/34/80/85/858348085.db2.gz UURJKHYSHPCCPK-VVBPWWLESA-N 0 1 403.954 4.301 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000430903224 858362573 /nfs/dbraw/zinc/36/25/73/858362573.db2.gz GNUCOQHAZKRYTO-GTNSWQLSSA-N 0 1 409.303 4.097 20 0 HIADMN CC(C)(C)c1nc(C[S@](=O)Cc2csc(Cc3ccc(Cl)cc3)n2)n[nH]1 ZINC000430938107 858375617 /nfs/dbraw/zinc/37/56/17/858375617.db2.gz GUOBHCWNRVJVGH-AREMUKBSSA-N 0 1 408.980 4.252 20 0 HIADMN CN(C)[C@H](CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O)c1cccs1 ZINC000430963304 858383824 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CCCN(C(=O)c1cccs1)C1CCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000431166357 858481483 /nfs/dbraw/zinc/48/14/83/858481483.db2.gz IREKURVSDFJZPG-OTWHNJEPSA-N 0 1 419.635 4.243 20 0 HIADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000431199860 858499355 /nfs/dbraw/zinc/49/93/55/858499355.db2.gz ZGWXYTZGHAPFMT-HRAATJIYSA-N 0 1 406.530 4.403 20 0 HIADMN Cc1noc(C[C@@H](N[C@H]2CCCN(c3ccccc3Cl)C2=O)c2ccccc2)n1 ZINC000431205899 858502704 /nfs/dbraw/zinc/50/27/04/858502704.db2.gz ZRQOMGAYCWVOQC-RBUKOAKNSA-N 0 1 410.905 4.100 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N(C)Cc2ccc(F)c(Cl)c2)N2CCCC2)cc1 ZINC000431211703 858506160 /nfs/dbraw/zinc/50/61/60/858506160.db2.gz ZHRKXMTTYPIRHN-OAQYLSRUSA-N 0 1 419.928 4.466 20 0 HIADMN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cccc(CN(C)Cc3ccccc3)c1)C[C@H](C)O2 ZINC000431226161 858516349 /nfs/dbraw/zinc/51/63/49/858516349.db2.gz RHCIVHSLRSBLAF-YZIHRLCOSA-N 0 1 422.569 4.117 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1c(Cl)cncc1Cl)N1CCCCC1 ZINC000431360160 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HIADMN C[C@H](CC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1 ZINC000431767619 858802618 /nfs/dbraw/zinc/80/26/18/858802618.db2.gz AWHCLFBJTVUFHO-QAPCUYQASA-N 0 1 405.336 4.489 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccco1 ZINC000431787826 858811663 /nfs/dbraw/zinc/81/16/63/858811663.db2.gz XTTLCHZJIMPWQK-HNNXBMFYSA-N 0 1 422.407 4.161 20 0 HIADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c2)CC1 ZINC000467527457 881345961 /nfs/dbraw/zinc/34/59/61/881345961.db2.gz LYUZMSDJUFOCJE-UHFFFAOYSA-N 0 1 420.488 4.013 20 0 HIADMN COc1cccc2c1[C@H](C(=O)Nc1ccc(NC(=O)CN3CCCCCC3)cc1)CC2 ZINC000431828443 858830078 /nfs/dbraw/zinc/83/00/78/858830078.db2.gz PZJPRKKXNLZUFF-OAQYLSRUSA-N 0 1 421.541 4.178 20 0 HIADMN CC(C)(CNC(=O)c1cccc(F)c1Br)N1CCc2ccccc2C1 ZINC000431892676 858859274 /nfs/dbraw/zinc/85/92/74/858859274.db2.gz WVTYHMVVXPMDPV-UHFFFAOYSA-N 0 1 405.311 4.155 20 0 HIADMN CC[C@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000467533492 881353333 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4.416 20 0 HIADMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000480780395 896146042 /nfs/dbraw/zinc/14/60/42/896146042.db2.gz RTGHZGSKXGCELK-UHFFFAOYSA-N 0 1 415.497 4.027 20 0 HIADMN C[C@@H](NC(=O)C(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1-c1ccc(Cl)cc1 ZINC000480793050 896160398 /nfs/dbraw/zinc/16/03/98/896160398.db2.gz QQPFYXYPNYLDGU-JLTOFOAXSA-N 0 1 422.916 4.101 20 0 HIADMN O=S(=O)(c1ccc(CN[C@H](c2ccccc2)c2ccc(F)cc2)cc1)N1CCCC1 ZINC000480804644 896172345 /nfs/dbraw/zinc/17/23/45/896172345.db2.gz JBKQNKIROROBGN-XMMPIXPASA-N 0 1 424.541 4.489 20 0 HIADMN Cc1nn(C)c(C)c1[C@H](NCc1nc2ccc(Br)cc2[nH]1)C(F)(F)F ZINC000480841679 896214292 /nfs/dbraw/zinc/21/42/92/896214292.db2.gz CMXZRRHXJGRZKJ-HNNXBMFYSA-N 0 1 416.245 4.069 20 0 HIADMN Cc1nn(C)c(C)c1[C@@H](NCc1nc2ccc(Br)cc2[nH]1)C(F)(F)F ZINC000480841680 896214518 /nfs/dbraw/zinc/21/45/18/896214518.db2.gz CMXZRRHXJGRZKJ-OAHLLOKOSA-N 0 1 416.245 4.069 20 0 HIADMN Brc1ccc2[nH]c(CN3CCC[C@@H]3Cn3cnc4ccccc43)nc2c1 ZINC000480852534 896221067 /nfs/dbraw/zinc/22/10/67/896221067.db2.gz MEKZUXGXCZUFRX-OAHLLOKOSA-N 0 1 410.319 4.340 20 0 HIADMN Brc1ccc2nc(CN3CCC[C@@H]3Cn3cnc4ccccc43)[nH]c2c1 ZINC000480852534 896221115 /nfs/dbraw/zinc/22/11/15/896221115.db2.gz MEKZUXGXCZUFRX-OAHLLOKOSA-N 0 1 410.319 4.340 20 0 HIADMN Cc1ccc(CS(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(F)c1 ZINC000480889902 896246032 /nfs/dbraw/zinc/24/60/32/896246032.db2.gz QQZDDMWRUNKLBA-KRWDZBQOSA-N 0 1 420.554 4.009 20 0 HIADMN C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1cccc(N2CCCC2=O)c1 ZINC000480895677 896251823 /nfs/dbraw/zinc/25/18/23/896251823.db2.gz IAUNOZYVJXZNTC-GOSISDBHSA-N 0 1 414.509 4.312 20 0 HIADMN Cc1cc(C)c2c(c1)[C@@H](NCc1cccc(NC(=O)Cn3cccn3)c1)CCCO2 ZINC000480903262 896260063 /nfs/dbraw/zinc/26/00/63/896260063.db2.gz CSJHPRBTIWPTMI-QFIPXVFZSA-N 0 1 404.514 4.142 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000480905373 896261412 /nfs/dbraw/zinc/26/14/12/896261412.db2.gz ZVLGOWSYWVRTIB-UHFFFAOYSA-N 0 1 418.419 4.241 20 0 HIADMN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000480905237 896262285 /nfs/dbraw/zinc/26/22/85/896262285.db2.gz HOJSWAXRZPSHTD-OAHLLOKOSA-N 0 1 411.575 4.435 20 0 HIADMN COCCOc1ccccc1CN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481026453 896355164 /nfs/dbraw/zinc/35/51/64/896355164.db2.gz SKWHEFHCJNMSQL-SFHVURJKSA-N 0 1 417.571 4.279 20 0 HIADMN COCc1c(Br)cccc1NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000505400437 914064774 /nfs/dbraw/zinc/06/47/74/914064774.db2.gz WAUQHGUYEKFQIS-UHFFFAOYSA-N 0 1 404.239 4.377 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@](C)(CO)Cc2ccccc2)c1 ZINC000481118265 896445153 /nfs/dbraw/zinc/44/51/53/896445153.db2.gz WTPATVGZYKMWCU-HHHXNRCGSA-N 0 1 416.565 4.290 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H]3CCOc4c(Cl)cccc43)n2)cc1 ZINC000481158240 896493007 /nfs/dbraw/zinc/49/30/07/896493007.db2.gz QETUTIBMTUKUOO-MRXNPFEDSA-N 0 1 414.918 4.166 20 0 HIADMN Cc1nc(C(C)C)sc1[C@H](C)NCc1ccccc1OCCN1CCOCC1 ZINC000481190126 896537538 /nfs/dbraw/zinc/53/75/38/896537538.db2.gz KFVFWTMJONOTDE-KRWDZBQOSA-N 0 1 403.592 4.137 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCCO ZINC000481191920 896543086 /nfs/dbraw/zinc/54/30/86/896543086.db2.gz RPHVRASJCKQCAZ-HZPDHXFCSA-N 0 1 413.493 4.111 20 0 HIADMN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000481203401 896556619 /nfs/dbraw/zinc/55/66/19/896556619.db2.gz MYCDVAGQYALZLD-QGZVFWFLSA-N 0 1 424.463 4.147 20 0 HIADMN COc1ccccc1C[C@H]1CCCN1C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000481230091 896582190 /nfs/dbraw/zinc/58/21/90/896582190.db2.gz JNNOXJMNPLSWAL-LJQANCHMSA-N 0 1 422.554 4.115 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)n[nH]1 ZINC000481253233 896604105 /nfs/dbraw/zinc/60/41/05/896604105.db2.gz GGNQIXLBSFZBCB-CQSZACIVSA-N 0 1 420.492 4.472 20 0 HIADMN COc1ccc([C@H](NC(=O)N(C)CCCN(C)Cc2ccco2)C(F)(F)F)cc1 ZINC000481299929 896643650 /nfs/dbraw/zinc/64/36/50/896643650.db2.gz HZRHVFHSFAOGPD-SFHVURJKSA-N 0 1 413.440 4.055 20 0 HIADMN C[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1cc(F)cc(F)c1 ZINC000481302947 896648881 /nfs/dbraw/zinc/64/88/81/896648881.db2.gz FJOLJLXXPGBRCT-HOTGVXAUSA-N 0 1 408.514 4.236 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000481302633 896649297 /nfs/dbraw/zinc/64/92/97/896649297.db2.gz DQIMUIDNLVMFHV-GFCCVEGCSA-N 0 1 400.276 4.481 20 0 HIADMN CC(C)CN(CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCCc2cccnc21 ZINC000481306303 896652388 /nfs/dbraw/zinc/65/23/88/896652388.db2.gz ANAQLCVKZWTEHD-ZJSXRUAMSA-N 0 1 420.601 4.060 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000481306152 896652733 /nfs/dbraw/zinc/65/27/33/896652733.db2.gz LNBSOUYILOMVKX-UHFFFAOYSA-N 0 1 400.417 4.239 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)C(=O)Nc1ccccc1)c1ccccc1Cl ZINC000481310340 896658245 /nfs/dbraw/zinc/65/82/45/896658245.db2.gz CIVIIYOWCILMLD-OXJNMPFZSA-N 0 1 416.953 4.049 20 0 HIADMN COC[C@H](NCc1ccc(-n2nc(C)cc2C)nc1)c1cccc(C(F)(F)F)c1 ZINC000481316765 896667319 /nfs/dbraw/zinc/66/73/19/896667319.db2.gz SZEQPTJOYBUWMT-IBGZPJMESA-N 0 1 404.436 4.380 20 0 HIADMN C[C@@H](N[C@@H](C)c1ccc(F)cc1OC(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481322402 896676586 /nfs/dbraw/zinc/67/65/86/896676586.db2.gz MSKXAGBTCACAIS-KGLIPLIRSA-N 0 1 422.447 4.496 20 0 HIADMN CC(C)CN(CC(=O)NCCc1cccc2cccnc21)[C@@H]1CCCc2cccnc21 ZINC000481337874 896703085 /nfs/dbraw/zinc/70/30/85/896703085.db2.gz CSTNYSDOKQRJQF-HSZRJFAPSA-N 0 1 416.569 4.324 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000481340541 896705377 /nfs/dbraw/zinc/70/53/77/896705377.db2.gz BTRKEKHEQCKRTI-HSQYWUDLSA-N 0 1 402.498 4.283 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000481341787 896707851 /nfs/dbraw/zinc/70/78/51/896707851.db2.gz DVCPPQCCOUZNLE-UHFFFAOYSA-N 0 1 402.376 4.269 20 0 HIADMN COc1cc(CCC(=O)Nc2cc3cn[nH]c3cc2C)ccc1OCC(F)(F)F ZINC000481351453 896725399 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HIADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(Br)cc2)ccc1SC ZINC000481413622 896818530 /nfs/dbraw/zinc/81/85/30/896818530.db2.gz NGILDTYLHOUTHM-GFCCVEGCSA-N 0 1 409.349 4.469 20 0 HIADMN CC[C@H](NCc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000481418769 896821936 /nfs/dbraw/zinc/82/19/36/896821936.db2.gz UIOFWWRNNOMEBF-SFHVURJKSA-N 0 1 420.575 4.022 20 0 HIADMN Cc1noc(-c2ccccc2)c1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000481450368 896846814 /nfs/dbraw/zinc/84/68/14/896846814.db2.gz YWQYVXAZRFHTBL-QGZVFWFLSA-N 0 1 405.502 4.392 20 0 HIADMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000481477680 896864300 /nfs/dbraw/zinc/86/43/00/896864300.db2.gz AYZWZDXUOUFZDA-OPAMFIHVSA-N 0 1 416.953 4.030 20 0 HIADMN CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000481519176 896885498 /nfs/dbraw/zinc/88/54/98/896885498.db2.gz MRAWVFVHLMGDEJ-UHFFFAOYSA-N 0 1 415.877 4.406 20 0 HIADMN O=C(CN1CCC[C@H](c2ccc(F)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000481532025 896892983 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COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)C1 ZINC000538793364 938713197 /nfs/dbraw/zinc/71/31/97/938713197.db2.gz FEEYWWYKAFMKIU-NXEZZACHSA-N 0 1 419.350 4.135 20 0 HIADMN Cc1[nH]nc2cc(NC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)ccc12 ZINC000538806464 938717763 /nfs/dbraw/zinc/71/77/63/938717763.db2.gz BLFGALDPVAOVFW-UHFFFAOYSA-N 0 1 412.449 4.039 20 0 HIADMN CC(C)(C)c1n[nH]cc1CNc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000538826017 938720968 /nfs/dbraw/zinc/72/09/68/938720968.db2.gz JTQAAMIJKDIWRB-UHFFFAOYSA-N 0 1 418.589 4.079 20 0 HIADMN Cc1n[nH]c(C(F)F)c1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000538836961 938722687 /nfs/dbraw/zinc/72/26/87/938722687.db2.gz UUVWGZYRNXNUJY-UHFFFAOYSA-N 0 1 411.412 4.223 20 0 HIADMN Cc1nc([C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)c2ccc(Cl)cc2)no1 ZINC000538892173 938731506 /nfs/dbraw/zinc/73/15/06/938731506.db2.gz MMPATVLFKCEAPC-FQEVSTJZSA-N 0 1 419.872 4.111 20 0 HIADMN CCOC(=O)CCc1ccc(NC(=O)N2CCCC[C@H]2c2n[nH]c(C(C)C)n2)cc1 ZINC000563483206 945200715 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C[C@H](Cn1ncc2ccccc2c1=O)N[C@@H](C)c1ccc(F)cc1Br ZINC000539043999 938780355 /nfs/dbraw/zinc/78/03/55/938780355.db2.gz LRZIKEZRCGKWJC-OLZOCXBDSA-N 0 1 404.283 4.037 20 0 HIADMN C[C@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1ccccc1OC(F)F ZINC000539047230 938782043 /nfs/dbraw/zinc/78/20/43/938782043.db2.gz UNGVUHHQXAEENK-INIZCTEOSA-N 0 1 424.513 4.064 20 0 HIADMN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000539054984 938785421 /nfs/dbraw/zinc/78/54/21/938785421.db2.gz MMQWNMBJCUBTCR-WBMJQRKESA-N 0 1 406.349 4.295 20 0 HIADMN C[C@@H](NC1CCN(Cc2c(F)cccc2Cl)CC1)c1cn(-c2ccccc2)nn1 ZINC000539057456 938786223 /nfs/dbraw/zinc/78/62/23/938786223.db2.gz FZKJVKGHFOCXNL-MRXNPFEDSA-N 0 1 413.928 4.375 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCc1ccc2c(c1)CCS2(=O)=O ZINC000539057300 938786454 /nfs/dbraw/zinc/78/64/54/938786454.db2.gz XNCBIQXYNVZMMR-OAHLLOKOSA-N 0 1 412.580 4.223 20 0 HIADMN CC(=O)N1CC[C@H](N[C@H](Cc2ccccc2F)c2ccccc2Br)C1 ZINC000539063150 938789417 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ZINC000542542816 939841168 /nfs/dbraw/zinc/84/11/68/939841168.db2.gz SKYSEMDYESYQIQ-ZUOKHONESA-N 0 1 414.431 4.054 20 0 HIADMN CC[C@@H](N[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC)c1ccc(Cl)s1 ZINC000542555944 939843050 /nfs/dbraw/zinc/84/30/50/939843050.db2.gz IBDHIPMBEOYSDW-BXUZGUMPSA-N 0 1 409.939 4.436 20 0 HIADMN NC(=O)C[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)C1CCCCC1 ZINC000542565596 939844473 /nfs/dbraw/zinc/84/44/73/939844473.db2.gz XAYIVWSFSZWAOS-GOSISDBHSA-N 0 1 407.967 4.289 20 0 HIADMN CC(C)n1cc([C@H](C)NCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cn1 ZINC000542574410 939845422 /nfs/dbraw/zinc/84/54/22/939845422.db2.gz PWNGWSPCHBDCLE-HNNXBMFYSA-N 0 1 411.531 4.067 20 0 HIADMN COc1ccc(NC(=O)CN[C@@H](C)c2sc(-c3ccccc3)nc2C)c(OC)c1 ZINC000542590412 939846871 /nfs/dbraw/zinc/84/68/71/939846871.db2.gz JPAGYCVSIQUHEZ-AWEZNQCLSA-N 0 1 411.527 4.425 20 0 HIADMN CCc1ccc(-c2noc([C@@H](C)NCCCCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000542621491 939849436 /nfs/dbraw/zinc/84/94/36/939849436.db2.gz XJTXAZHNJFHOOE-MRXNPFEDSA-N 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COc1cccc2c1CCN(C(=O)c1n[nH]c(-c3ccccc3)c1Br)C2 ZINC000543024749 939897842 /nfs/dbraw/zinc/89/78/42/939897842.db2.gz BOEMOGDGNXBBMA-UHFFFAOYSA-N 0 1 412.287 4.046 20 0 HIADMN COC(=O)c1cccc(-c2nc(CN3CCC(CCCn4ccnc4)CC3)cs2)c1 ZINC000543061962 939915248 /nfs/dbraw/zinc/91/52/48/939915248.db2.gz VCQYPAFJSJRILC-UHFFFAOYSA-N 0 1 424.570 4.486 20 0 HIADMN C[C@@H](NC(=O)c1cccc(CN(C)Cc2ccccc2)c1)c1nc(C(C)(C)C)no1 ZINC000543119373 939954987 /nfs/dbraw/zinc/95/49/87/939954987.db2.gz IACUTJPJPUQELJ-QGZVFWFLSA-N 0 1 406.530 4.490 20 0 HIADMN CC(C)CCn1ccc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)n1 ZINC000543125554 939958269 /nfs/dbraw/zinc/95/82/69/939958269.db2.gz BBXYCYBYAHJOOI-SFHVURJKSA-N 0 1 407.522 4.126 20 0 HIADMN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000543165421 939983202 /nfs/dbraw/zinc/98/32/02/939983202.db2.gz BJTVQNJCXHANJG-UHFFFAOYSA-N 0 1 406.467 4.271 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(OCC(F)F)cc3)[nH]c2c1 ZINC000543183540 939988214 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O=C(NC1CCN(CCOc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 ZINC000027436379 847303392 /nfs/dbraw/zinc/30/33/92/847303392.db2.gz OSBNKBIXUMWQGN-UHFFFAOYSA-N 0 1 411.304 4.406 20 0 HIADMN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000027594233 847326226 /nfs/dbraw/zinc/32/62/26/847326226.db2.gz DJMVAYAHZBPEGF-INIZCTEOSA-N 0 1 415.490 4.074 20 0 HIADMN COc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027667911 847334213 /nfs/dbraw/zinc/33/42/13/847334213.db2.gz GOKKKUWLGSRILH-QFIPXVFZSA-N 0 1 414.521 4.335 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccs1 ZINC000027675817 847335880 /nfs/dbraw/zinc/33/58/80/847335880.db2.gz PBADWSVZNDSWJI-OAHLLOKOSA-N 0 1 414.552 4.281 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c(Br)c1 ZINC000028245860 847398604 /nfs/dbraw/zinc/39/86/04/847398604.db2.gz IVWWHUBTLGZDCU-UHFFFAOYSA-N 0 1 410.211 4.457 20 0 HIADMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 ZINC000028337840 847408545 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CCNC(=O)c1cccc(NC(=O)CN2CCCCC[C@@H]2c2ccc(OC)cc2)c1 ZINC000029156104 847515791 /nfs/dbraw/zinc/51/57/91/847515791.db2.gz PLYWEOOTQYNIOY-JOCHJYFZSA-N 0 1 409.530 4.001 20 0 HIADMN COC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1C ZINC000029157902 847516085 /nfs/dbraw/zinc/51/60/85/847516085.db2.gz WNHIZKNYTGSQPI-UHFFFAOYSA-N 0 1 414.259 4.187 20 0 HIADMN Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C[NH+](C)C)c3)c2)c1 ZINC000029171903 847519612 /nfs/dbraw/zinc/51/96/12/847519612.db2.gz JTJXOVYOVQGVEC-UHFFFAOYSA-N 0 1 423.538 4.110 20 0 HIADMN CCC[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000029199598 847522765 /nfs/dbraw/zinc/52/27/65/847522765.db2.gz XEXIUXCPVRDUAN-WMZHIEFXSA-N 0 1 407.558 4.383 20 0 HIADMN C[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000029199317 847522985 /nfs/dbraw/zinc/52/29/85/847522985.db2.gz WBJMFUPNSMLZPG-IBGZPJMESA-N 0 1 415.537 4.368 20 0 HIADMN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000029275813 847536469 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O=C([O-])C[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)c1cnn(-c2ccccc2)c1 ZINC000426762582 856463677 /nfs/dbraw/zinc/46/36/77/856463677.db2.gz LMDOKJAOCWNKQY-FQEVSTJZSA-N 0 1 422.485 4.441 20 0 HIADMN CCC[C@H](NC(=O)[C@@H](C)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccccc1 ZINC000426799595 856485530 /nfs/dbraw/zinc/48/55/30/856485530.db2.gz IVSCXEOHODYVCF-PTUXOGIPSA-N 0 1 402.579 4.083 20 0 HIADMN COc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2csc(-c3ccc(C)cc3)n2)cc1OC ZINC000426806681 856489062 /nfs/dbraw/zinc/48/90/62/856489062.db2.gz KXKVJCCLPIAABH-SFHVURJKSA-N 0 1 412.511 4.441 20 0 HIADMN CC(C)c1ccc([C@H](CC(=O)[O-])[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1 ZINC000426810137 856491373 /nfs/dbraw/zinc/49/13/73/856491373.db2.gz YEMGJCLLPYZPLD-IBGZPJMESA-N 0 1 416.884 4.489 20 0 HIADMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2cc(Cl)cc(Cl)c2OC)c1OC ZINC000426820462 856496421 /nfs/dbraw/zinc/49/64/21/856496421.db2.gz LJCCXOIGTBVOLF-HNNXBMFYSA-N 0 1 414.285 4.325 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1cccc(Br)c1 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CC(=O)CCC(C)(C)c1nc(-c2ccc(N3CCCN(C)CC3)c(Cl)c2)no1 ZINC000472777462 887623533 /nfs/dbraw/zinc/62/35/33/887623533.db2.gz VJJYLCLRDAWUOS-UHFFFAOYSA-N 0 1 404.942 4.179 20 0 HIADMN O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)N1CCN(C2CCCC2)CC1 ZINC000472845303 887698352 /nfs/dbraw/zinc/69/83/52/887698352.db2.gz CBJLJGZJZWADBZ-UHFFFAOYSA-N 0 1 415.925 4.360 20 0 HIADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(Br)c(OC)c1)c1ccco1 ZINC000472872185 887724843 /nfs/dbraw/zinc/72/48/43/887724843.db2.gz ACHXEOXJHQWVFU-OAHLLOKOSA-N 0 1 410.312 4.255 20 0 HIADMN Cc1c(COc2ccccc2)cccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000472885025 887735682 /nfs/dbraw/zinc/73/56/82/887735682.db2.gz ZMHCUMHQOPCQPV-QFIPXVFZSA-N 0 1 411.546 4.052 20 0 HIADMN COc1cc(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)ccc1Br ZINC000472885506 887735749 /nfs/dbraw/zinc/73/57/49/887735749.db2.gz ISFZMWHETSIKMG-INIZCTEOSA-N 0 1 422.323 4.318 20 0 HIADMN COc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000472981157 887823633 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HIADMN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000473960022 888830738 /nfs/dbraw/zinc/83/07/38/888830738.db2.gz PLAWFTRJHDGVFA-MOPGFXCFSA-N 0 1 403.486 4.150 20 0 HIADMN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000473960022 888830740 /nfs/dbraw/zinc/83/07/40/888830740.db2.gz PLAWFTRJHDGVFA-MOPGFXCFSA-N 0 1 403.486 4.150 20 0 HIADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000474053472 888892124 /nfs/dbraw/zinc/89/21/24/888892124.db2.gz PAJFCOLJUDSCAL-QFIPXVFZSA-N 0 1 423.492 4.254 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(-c3nnc4n3CCCCC4)cc1)C2 ZINC000474077846 888904743 /nfs/dbraw/zinc/90/47/43/888904743.db2.gz CKGOUXHZQNQHQE-KRWDZBQOSA-N 0 1 418.545 4.262 20 0 HIADMN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000474081100 888906423 /nfs/dbraw/zinc/90/64/23/888906423.db2.gz JEWDCILMGYKHLH-JOCHJYFZSA-N 0 1 407.518 4.231 20 0 HIADMN CC[C@H]1CN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)CC[C@@H]1c1ccccc1 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HIADMN COc1cc([C@@H](C)NCC(=O)NCc2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000539251879 938826412 /nfs/dbraw/zinc/82/64/12/938826412.db2.gz DFFCXINRAOZYHS-GOSISDBHSA-N 0 1 422.500 4.380 20 0 HIADMN Cc1ccccc1CNC(=O)[C@H](C)N[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000539252193 938826425 /nfs/dbraw/zinc/82/64/25/938826425.db2.gz HTTXXSJWFTXBRR-PMACEKPBSA-N 0 1 403.526 4.325 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cc(C)no2)ccc1OCc1ccccc1 ZINC000539252393 938826437 /nfs/dbraw/zinc/82/64/37/938826437.db2.gz CXIMBMBXYYYQIV-IRXDYDNUSA-N 0 1 409.486 4.248 20 0 HIADMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2cc(C)no2)ccc1OCc1ccccc1 ZINC000539252391 938826522 /nfs/dbraw/zinc/82/65/22/938826522.db2.gz CXIMBMBXYYYQIV-DLBZAZTESA-N 0 1 409.486 4.248 20 0 HIADMN Cc1nc(-c2ccc([C@@H](C)NCC(=O)Nc3nnc(CC(C)C)s3)cc2)cs1 ZINC000539253694 938826998 /nfs/dbraw/zinc/82/69/98/938826998.db2.gz YRWYOILHEPGSQH-CYBMUJFWSA-N 0 1 415.588 4.458 20 0 HIADMN CCCOc1ccc([C@@H](C)NCC(=O)N2CCSc3ccccc32)cc1OC ZINC000539254599 938827420 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Cc1ccc([C@H](NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 ZINC000539309710 938838616 /nfs/dbraw/zinc/83/86/16/938838616.db2.gz XBCIKTKNUNGHBT-BVZFJXPGSA-N 0 1 405.542 4.040 20 0 HIADMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000539310634 938838957 /nfs/dbraw/zinc/83/89/57/938838957.db2.gz GPEIBQHMYCJZBL-JXFKEZNVSA-N 0 1 411.571 4.062 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000539313866 938839525 /nfs/dbraw/zinc/83/95/25/938839525.db2.gz RICAMDPKYHTOBU-CYBMUJFWSA-N 0 1 416.488 4.294 20 0 HIADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000539315879 938840139 /nfs/dbraw/zinc/84/01/39/938840139.db2.gz UVINCNFXFBJCBI-HXUWFJFHSA-N 0 1 424.994 4.476 20 0 HIADMN O=C(c1cc(Cl)ccc1Oc1cccc(Cl)c1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000539325095 938841606 /nfs/dbraw/zinc/84/16/06/938841606.db2.gz DJIIAWCEPOBJQF-GFCCVEGCSA-N 0 1 418.284 4.319 20 0 HIADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN[C@H](C)c1ccccc1C(F)(F)F ZINC000539342075 938845137 /nfs/dbraw/zinc/84/51/37/938845137.db2.gz GPMOKYPSMZJDNV-OAHLLOKOSA-N 0 1 422.447 4.176 20 0 HIADMN C[C@H](NCC(=O)Nc1nc(-c2ccccc2)cs1)c1ccc(-n2cccn2)cc1 ZINC000539342855 938845501 /nfs/dbraw/zinc/84/55/01/938845501.db2.gz QYELSTWPMLJZHC-INIZCTEOSA-N 0 1 403.511 4.285 20 0 HIADMN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NCC(=O)Nc2c(C)n[nH]c2C)c1 ZINC000539357489 938847617 /nfs/dbraw/zinc/84/76/17/938847617.db2.gz AQGRTPRYZUPOCN-JOCHJYFZSA-N 0 1 406.530 4.164 20 0 HIADMN CN(C)C(=O)c1ccc(NC(=O)CN[C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000539359112 938848148 /nfs/dbraw/zinc/84/81/48/938848148.db2.gz NHDQWNYDQKOKQA-HSZRJFAPSA-N 0 1 419.500 4.040 20 0 HIADMN COc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc(OC)c1Br ZINC000539412563 938856923 /nfs/dbraw/zinc/85/69/23/938856923.db2.gz TZIHDGAFWWXBPO-UHFFFAOYSA-N 0 1 406.236 4.010 20 0 HIADMN CCC[C@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)CCN1Cc1ccccc1 ZINC000539431982 938859659 /nfs/dbraw/zinc/85/96/59/938859659.db2.gz IVXAFVZYXMCLAG-QFIPXVFZSA-N 0 1 420.582 4.261 20 0 HIADMN CN(C)CCN(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)C1CCCC1 ZINC000539453100 938862758 /nfs/dbraw/zinc/86/27/58/938862758.db2.gz JRNDLBWCFNQUHP-UHFFFAOYSA-N 0 1 402.926 4.237 20 0 HIADMN CCC1(CC)[C@H](NCc2csc(CNC(=O)c3ccccc3)n2)[C@H](C)[C@@H]1OC ZINC000539495606 938868469 /nfs/dbraw/zinc/86/84/69/938868469.db2.gz AZAXZWKDFVZKHX-BEVDRBHNSA-N 0 1 401.576 4.002 20 0 HIADMN CC[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cc(F)cc(Br)c1 ZINC000539509092 938870895 /nfs/dbraw/zinc/87/08/95/938870895.db2.gz USTGMDRTFXUIAL-KRWDZBQOSA-N 0 1 418.303 4.242 20 0 HIADMN COc1cc(CN[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)ccc1SC ZINC000539514964 938872092 /nfs/dbraw/zinc/87/20/92/938872092.db2.gz BEDGKHXFMRTHGQ-QFIPXVFZSA-N 0 1 420.578 4.434 20 0 HIADMN O=S(=O)([N-]c1ccc(F)cc1)c1ccc(C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000539525637 938873284 /nfs/dbraw/zinc/87/32/84/938873284.db2.gz METVMTVNBWVNSV-UHFFFAOYSA-N 0 1 421.497 4.465 20 0 HIADMN COc1ccc([C@@H](OC)[C@H](C)NCc2cc3c(cc2Br)OCO3)cc1 ZINC000539544708 938877528 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Cc1ccccc1-c1nn(-c2ccccc2)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000539817914 938942325 /nfs/dbraw/zinc/94/23/25/938942325.db2.gz WEENSZOUKSFDAZ-NRFANRHFSA-N 0 1 401.432 4.347 20 0 HIADMN COc1cc(CN2CC[C@H](C)C[C@@H]2c2ccco2)ccc1OCC(=O)N1CCCC1 ZINC000539826296 938948067 /nfs/dbraw/zinc/94/80/67/938948067.db2.gz ZVKILFGSDSGKLI-AZUAARDMSA-N 0 1 412.530 4.263 20 0 HIADMN CN(Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H](CCO)c1ccccc1 ZINC000539827664 938948183 /nfs/dbraw/zinc/94/81/83/938948183.db2.gz QDDHGAXQSYRYQH-FQEVSTJZSA-N 0 1 400.320 4.190 20 0 HIADMN CCCc1nc2ccccc2n1CCC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000539842951 938955489 /nfs/dbraw/zinc/95/54/89/938955489.db2.gz QXTFFLKQYTWYMH-NRFANRHFSA-N 0 1 408.546 4.234 20 0 HIADMN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)s1 ZINC000539854703 938958691 /nfs/dbraw/zinc/95/86/91/938958691.db2.gz FGEUTCWBCIWKDQ-UHFFFAOYSA-N 0 1 418.943 4.046 20 0 HIADMN CCOc1c(OC)cc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)cc1OC ZINC000539861960 938960687 /nfs/dbraw/zinc/96/06/87/938960687.db2.gz CGFDEXMTAKBCCJ-UHFFFAOYSA-N 0 1 414.329 4.404 20 0 HIADMN COc1ccccc1COC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000539887718 938966087 /nfs/dbraw/zinc/96/60/87/938966087.db2.gz VYSJRRADIBATNF-UXHICEINSA-N 0 1 410.558 4.251 20 0 HIADMN Brc1ccc(OCc2ccccn2)c(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000539890786 938968219 /nfs/dbraw/zinc/96/82/19/938968219.db2.gz GGMZGSNNWHGUSJ-UZLBHIALSA-N 0 1 417.347 4.424 20 0 HIADMN CN(C)[C@H](C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccccc1 ZINC000539892231 938968352 /nfs/dbraw/zinc/96/83/52/938968352.db2.gz GIAMBYDLFLYLJS-HNNXBMFYSA-N 0 1 412.362 4.458 20 0 HIADMN O=C(Cc1c[nH]c2ncccc12)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539892881 938969295 /nfs/dbraw/zinc/96/92/95/938969295.db2.gz MCGQUPLXUUXFKD-UHFFFAOYSA-N 0 1 409.318 4.275 20 0 HIADMN CCCOc1c(Br)cc(CN2CCC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000539895637 938970682 /nfs/dbraw/zinc/97/06/82/938970682.db2.gz WXZXBUYDHKQOBI-IRXDYDNUSA-N 0 1 412.368 4.495 20 0 HIADMN CCn1c(CNc2cccc(NC(=O)CN3CCCCCC3)c2)nc2ccccc21 ZINC000539935737 938979210 /nfs/dbraw/zinc/97/92/10/938979210.db2.gz OBJFQMGBHYDSCT-UHFFFAOYSA-N 0 1 405.546 4.483 20 0 HIADMN O=C(Cc1cccc(OCc2cccnc2)c1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000539946860 938980403 /nfs/dbraw/zinc/98/04/03/938980403.db2.gz VLCZFSLLTALLTC-HSZRJFAPSA-N 0 1 419.525 4.140 20 0 HIADMN Cc1nc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c(Cl)cc1Cl ZINC000539956473 938981230 /nfs/dbraw/zinc/98/12/30/938981230.db2.gz MFYKYBNLJBMBKC-UHFFFAOYSA-N 0 1 401.193 4.396 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)Nc2ccc(O)c(COC(C)C)c2)CC1 ZINC000563573534 945221463 /nfs/dbraw/zinc/22/14/63/945221463.db2.gz QGFIDPGERREVGT-UHFFFAOYSA-N 0 1 412.534 4.103 20 0 HIADMN Cc1sc2nc(C)nc(SCC(=O)Nc3ccccc3-c3nnc[nH]3)c2c1C ZINC000539995579 939033038 /nfs/dbraw/zinc/03/30/38/939033038.db2.gz BDDIKNVMWXLVJK-UHFFFAOYSA-N 0 1 410.528 4.132 20 0 HIADMN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2-c2nnc[nH]2)c1 ZINC000539998369 939034095 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C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409892315 855709517 /nfs/dbraw/zinc/70/95/17/855709517.db2.gz MFHSOVQNNGYPOQ-KLHJMIIUSA-N 0 1 404.913 4.193 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000410134529 855834224 /nfs/dbraw/zinc/83/42/24/855834224.db2.gz IUFBGUNKGSPHJA-OAHLLOKOSA-N 0 1 422.356 4.460 20 0 HIADMN COc1ccc([C@H](CNC(=O)N[C@H](c2ccc(F)cc2)C(C)C)N(C)C)cc1OC ZINC000410194106 855856845 /nfs/dbraw/zinc/85/68/45/855856845.db2.gz JPFDZWRPXVOGNT-UGKGYDQZSA-N 0 1 417.525 4.142 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(N4CCNC4=O)c3)[nH]n2)c(C)c1 ZINC000410199262 855860044 /nfs/dbraw/zinc/86/00/44/855860044.db2.gz PKHAFYREQJRRQO-UHFFFAOYSA-N 0 1 409.877 4.129 20 0 HIADMN COc1cccc(-c2cc(C(=O)N3CCC(F)(c4cccc(OC)c4)CC3)n[nH]2)c1 ZINC000410228775 855870977 /nfs/dbraw/zinc/87/09/77/855870977.db2.gz KLPYZNOGQGCOAL-UHFFFAOYSA-N 0 1 409.461 4.195 20 0 HIADMN COc1c(C)ccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1C 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HIADMN CCN(CC(=O)OC(C)(C)C)C1CC(N[C@@H](C)c2nc(C(F)(F)F)cs2)C1 ZINC000426031371 856059145 /nfs/dbraw/zinc/05/91/45/856059145.db2.gz RNCZWZBBVTXNOR-HIFPTAJRSA-N 0 1 407.502 4.007 20 0 HIADMN O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000426044082 856067813 /nfs/dbraw/zinc/06/78/13/856067813.db2.gz KFKHSVXFOKETAV-GXTWGEPZSA-N 0 1 405.955 4.364 20 0 HIADMN Cc1cccc2nc(CCC(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)[nH]c21 ZINC000426048897 856073078 /nfs/dbraw/zinc/07/30/78/856073078.db2.gz JUEGYSSPHKPYMY-NRFANRHFSA-N 0 1 407.905 4.097 20 0 HIADMN COc1cc(NC(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc(OC)c1OC ZINC000426071380 856087050 /nfs/dbraw/zinc/08/70/50/856087050.db2.gz HSWPWPJHDRUHCS-HNNXBMFYSA-N 0 1 424.501 4.309 20 0 HIADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000426089060 856100076 /nfs/dbraw/zinc/10/00/76/856100076.db2.gz DPYUGEWMDZOIFM-QGZVFWFLSA-N 0 1 424.303 4.024 20 0 HIADMN C[C@H](CCCC(F)(F)F)NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000426101992 856108273 /nfs/dbraw/zinc/10/82/73/856108273.db2.gz QGUQDWSTGQQPKJ-ZBFHGGJFSA-N 0 1 409.456 4.482 20 0 HIADMN CCOC(=O)c1c(CN2CC[C@@H](O)[C@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000426121093 856121516 /nfs/dbraw/zinc/12/15/16/856121516.db2.gz XGUDDPQJSYQQRP-VGOFRKELSA-N 0 1 404.510 4.281 20 0 HIADMN CC(C)c1ccc(-c2nc(CN3CC[C@@H](C(=O)NCC(F)(F)F)C3)cs2)cc1 ZINC000426125616 856123940 /nfs/dbraw/zinc/12/39/40/856123940.db2.gz HCIPZJAYJYWVES-MRXNPFEDSA-N 0 1 411.493 4.434 20 0 HIADMN Cc1c(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cccc1C(F)(F)F ZINC000426142978 856136866 /nfs/dbraw/zinc/13/68/66/856136866.db2.gz KIMHVOSOHUETLH-YLJYHZDGSA-N 0 1 421.463 4.018 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N[C@H]1CCOC2(CCCC2)C1 ZINC000426235925 856194223 /nfs/dbraw/zinc/19/42/23/856194223.db2.gz DMFYJMOADBWZLC-VQTJNVASSA-N 0 1 405.970 4.268 20 0 HIADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N[C@H]1CCOC2(CCCC2)C1 ZINC000426235919 856194491 /nfs/dbraw/zinc/19/44/91/856194491.db2.gz DMFYJMOADBWZLC-PMACEKPBSA-N 0 1 405.970 4.268 20 0 HIADMN C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)CC1(O)CCCCCC1 ZINC000426245518 856199092 /nfs/dbraw/zinc/19/90/92/856199092.db2.gz VIMDDXQMYWEGCZ-GOSISDBHSA-N 0 1 415.559 4.036 20 0 HIADMN CN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)CC1(O)CCCCCC1 ZINC000426245518 856199097 /nfs/dbraw/zinc/19/90/97/856199097.db2.gz VIMDDXQMYWEGCZ-GOSISDBHSA-N 0 1 415.559 4.036 20 0 HIADMN COc1ccccc1[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccco1 ZINC000426254200 856204755 /nfs/dbraw/zinc/20/47/55/856204755.db2.gz GJJDKGTVTBTHIE-KNQAVFIVSA-N 0 1 411.477 4.119 20 0 HIADMN COc1ccc([C@@H](Cc2ccccc2)NCc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000426311658 856239115 /nfs/dbraw/zinc/23/91/15/856239115.db2.gz RBDMSLPWNJFYLV-XMMPIXPASA-N 0 1 402.542 4.467 20 0 HIADMN CCOCc1cc(CN(CCO)Cc2cc(Br)cs2)ccc1OC ZINC000426383299 856267846 /nfs/dbraw/zinc/26/78/46/856267846.db2.gz AWWIYDGPYAHMEA-UHFFFAOYSA-N 0 1 414.365 4.050 20 0 HIADMN COc1ccc(C(=O)Nc2cccc(CN(CCO)Cc3cccc(F)c3)c2)cc1 ZINC000426385188 856269409 /nfs/dbraw/zinc/26/94/09/856269409.db2.gz LTRQRGYREHVUAJ-UHFFFAOYSA-N 0 1 408.473 4.081 20 0 HIADMN OCCN(Cc1cc(Br)cs1)Cc1c[nH]nc1-c1ccccc1F ZINC000426390125 856270598 /nfs/dbraw/zinc/27/05/98/856270598.db2.gz NSIBFFBIHWVRJI-UHFFFAOYSA-N 0 1 410.312 4.034 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)n[nH]1 ZINC000426504145 856323375 /nfs/dbraw/zinc/32/33/75/856323375.db2.gz LBTJTZMTSBZDER-LFDOHDQPSA-N 0 1 412.534 4.168 20 0 HIADMN CC[C@]1(CO)CCCN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000426519973 856331668 /nfs/dbraw/zinc/33/16/68/856331668.db2.gz DDCYUTGSFNDWNO-MBSDFSHPSA-N 0 1 413.587 4.185 20 0 HIADMN COc1ccc(OCc2ccccn2)c(CN2CCc3cccc(OC)c3CC2)c1 ZINC000426578683 856357696 /nfs/dbraw/zinc/35/76/96/856357696.db2.gz ISXBVPAJUPXZGG-UHFFFAOYSA-N 0 1 404.510 4.279 20 0 HIADMN Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]Cc2nc(C(=O)[O-])cs2)c1 ZINC000426675555 856407018 /nfs/dbraw/zinc/40/70/18/856407018.db2.gz UBNCSCSOQQYPFR-UHFFFAOYSA-N 0 1 418.522 4.351 20 0 HIADMN COc1ccc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)cc1OC1CCCC1 ZINC000426687329 856413057 /nfs/dbraw/zinc/41/30/57/856413057.db2.gz JWZRRSOQFWEJQU-UHFFFAOYSA-N 0 1 407.514 4.450 20 0 HIADMN CSc1cc(Br)ccc1C[NH2+][C@H](C(=O)[O-])c1c(F)cccc1F ZINC000426730211 856439281 /nfs/dbraw/zinc/43/92/81/856439281.db2.gz KEQHUVIXELHTNU-HNNXBMFYSA-N 0 1 402.260 4.365 20 0 HIADMN COc1ccc(Br)cc1[C@H]([NH2+]Cc1cc(Cl)ccc1F)C(=O)[O-] ZINC000426735009 856443204 /nfs/dbraw/zinc/44/32/04/856443204.db2.gz CQZJOKOIHHXQDK-HNNXBMFYSA-N 0 1 402.647 4.166 20 0 HIADMN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)[O-])n1 ZINC000426734957 856443374 /nfs/dbraw/zinc/44/33/74/856443374.db2.gz CCRZQQFNAQTDDH-QGZVFWFLSA-N 0 1 408.285 4.310 20 0 HIADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cc(Cl)cc2c1OCC2 ZINC000426747785 856451246 /nfs/dbraw/zinc/45/12/46/856451246.db2.gz RVAODWZVEVMTRA-OAHLLOKOSA-N 0 1 420.962 4.008 20 0 HIADMN C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426827781 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ZINC000430876141 858350665 /nfs/dbraw/zinc/35/06/65/858350665.db2.gz CUUCXOLGRBCOCL-QGZVFWFLSA-N 0 1 421.310 4.164 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)n[nH]1 ZINC000430896669 858359653 /nfs/dbraw/zinc/35/96/53/858359653.db2.gz IVZIUIHFCHYMFK-FZKQIMNGSA-N 0 1 405.340 4.267 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)n[nH]1 ZINC000430903222 858362923 /nfs/dbraw/zinc/36/29/23/858362923.db2.gz GNUCOQHAZKRYTO-APPDUMDISA-N 0 1 409.303 4.097 20 0 HIADMN Cc1cc(C)c(C[S@](=O)Cc2n[nH]c(C(C)(C)C)n2)c(OCc2ccccc2)n1 ZINC000430917104 858370120 /nfs/dbraw/zinc/37/01/20/858370120.db2.gz CDWZKOAKIVDJDX-LJAQVGFWSA-N 0 1 412.559 4.142 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)N2CCCC2)cc1 ZINC000430952275 858380223 /nfs/dbraw/zinc/38/02/23/858380223.db2.gz YMFBPIMBBUBLKJ-VXKWHMMOSA-N 0 1 408.546 4.020 20 0 HIADMN COC(=O)[C@H](C)[C@@H](NCC(=O)N[C@@H](C)c1cccc2ccccc21)c1ccccc1 ZINC000431001775 858400147 /nfs/dbraw/zinc/40/01/47/858400147.db2.gz KXORRFDILRDYNH-NXMSCROESA-N 0 1 404.510 4.157 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@@H]1C[C@H]1c1ccccc1Br ZINC000431044862 858416099 /nfs/dbraw/zinc/41/60/99/858416099.db2.gz LCKMFELBTQJZBW-GOEBONIOSA-N 0 1 405.340 4.167 20 0 HIADMN CCCN(C(=O)c1cccs1)C1CCN([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000431148873 858471257 /nfs/dbraw/zinc/47/12/57/858471257.db2.gz JAEZYHJFPYVFET-RBUKOAKNSA-N 0 1 419.635 4.244 20 0 HIADMN Cc1noc(C[C@@H](N[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)c2ccccc2)n1 ZINC000431180011 858490288 /nfs/dbraw/zinc/49/02/88/858490288.db2.gz ODZSCAMRXRFULP-XMSQKQJNSA-N 0 1 406.530 4.077 20 0 HIADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)c2ccccc2)n1 ZINC000431180009 858490372 /nfs/dbraw/zinc/49/03/72/858490372.db2.gz ODZSCAMRXRFULP-PGRDOPGGSA-N 0 1 406.530 4.077 20 0 HIADMN COc1ccc([C@@H](CNC(=O)[C@@H]2CCc3ccc(OC)cc32)N2CCCCC2)cc1 ZINC000431189969 858495139 /nfs/dbraw/zinc/49/51/39/858495139.db2.gz AMEOFQGLTJOOIE-ISKFKSNPSA-N 0 1 408.542 4.077 20 0 HIADMN Cc1noc(C[C@H](N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c2ccccc2)n1 ZINC000431205895 858502383 /nfs/dbraw/zinc/50/23/83/858502383.db2.gz ZRQOMGAYCWVOQC-MOPGFXCFSA-N 0 1 410.905 4.100 20 0 HIADMN CCn1nc(C)c(CC(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)c1C ZINC000431343438 858573617 /nfs/dbraw/zinc/57/36/17/858573617.db2.gz FCAPICGAEYEJNX-UHFFFAOYSA-N 0 1 400.486 4.153 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)c1c(Cl)cncc1Cl)N1CCCCC1 ZINC000431360159 858579363 /nfs/dbraw/zinc/57/93/63/858579363.db2.gz WASSCZVDVPLFHW-KRWDZBQOSA-N 0 1 408.329 4.354 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000437718212 863050764 /nfs/dbraw/zinc/05/07/64/863050764.db2.gz PFODDQIULWRCAX-UHFFFAOYSA-N 0 1 422.451 4.500 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)CO[C@@H]1CCCc2ccccc21)N1CCCC1 ZINC000431464198 858629443 /nfs/dbraw/zinc/62/94/43/858629443.db2.gz ISTTWQPFTVKTQY-LADGPHEKSA-N 0 1 408.542 4.043 20 0 HIADMN COc1cccc([C@H](CNC(=O)CO[C@@H]2CCCc3ccccc32)N2CCCC2)c1 ZINC000431471123 858631938 /nfs/dbraw/zinc/63/19/38/858631938.db2.gz NHZHQCYILZCNSX-BJKOFHAPSA-N 0 1 408.542 4.043 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)N3CC(C)(C)[C@H]3c3ccncc3)CCN2C2CC2)c1 ZINC000431476038 858634944 /nfs/dbraw/zinc/63/49/44/858634944.db2.gz ZTZGKUGSIOXQML-YTFSRNRJSA-N 0 1 420.557 4.161 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2cccc(OCC(F)(F)F)c2)N2CCCC2)c1 ZINC000431501345 858646407 /nfs/dbraw/zinc/64/64/07/858646407.db2.gz XCXSTBDTDBXILS-FQEVSTJZSA-N 0 1 422.447 4.203 20 0 HIADMN Cc1cccc2nc(CCC(=O)N[C@H](C)c3noc(-c4ccc(Cl)cc4)n3)[nH]c21 ZINC000431509743 858649893 /nfs/dbraw/zinc/64/98/93/858649893.db2.gz DFGCLDYNAFVMJS-CYBMUJFWSA-N 0 1 409.877 4.385 20 0 HIADMN COCCCOc1cccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)c1 ZINC000431597293 858682000 /nfs/dbraw/zinc/68/20/00/858682000.db2.gz SMUDZYBKNCTRQE-UHFFFAOYSA-N 0 1 417.412 4.346 20 0 HIADMN COc1cccc(C(=O)CCCC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000431653666 858715634 /nfs/dbraw/zinc/71/56/34/858715634.db2.gz CHRUYBSAZWQKGJ-LJQANCHMSA-N 0 1 400.544 4.063 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000431756994 858792994 /nfs/dbraw/zinc/79/29/94/858792994.db2.gz HYPSFLKHBXKBNE-UHFFFAOYSA-N 0 1 417.985 4.057 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000431800145 858817495 /nfs/dbraw/zinc/81/74/95/858817495.db2.gz KOWTVGVACPKONE-DEOSSOPVSA-N 0 1 404.558 4.298 20 0 HIADMN O=C(NCC[C@H](c1ccccc1)C(F)(F)F)NC1CCN(Cc2ccncc2)CC1 ZINC000432082968 858975938 /nfs/dbraw/zinc/97/59/38/858975938.db2.gz XFPSFBQNKVZGLT-HXUWFJFHSA-N 0 1 420.479 4.081 20 0 HIADMN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000432182566 859035505 /nfs/dbraw/zinc/03/55/05/859035505.db2.gz OUECUJQEQLGOOP-LLVKDONJSA-N 0 1 424.931 4.329 20 0 HIADMN CCNC(=O)c1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c(C)c1 ZINC000432189198 859039004 /nfs/dbraw/zinc/03/90/04/859039004.db2.gz BSIJNSZRCRDVSJ-UHFFFAOYSA-N 0 1 408.932 4.414 20 0 HIADMN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccccc3OC(F)F)c2)n1 ZINC000432192387 859039764 /nfs/dbraw/zinc/03/97/64/859039764.db2.gz MPGDAYBGCFSZKJ-UHFFFAOYSA-N 0 1 409.414 4.010 20 0 HIADMN COc1ccc(-c2n[nH]c(SCCC(=O)Nc3ccc(Cl)cc3)n2)c(OC)c1 ZINC000432248821 859068240 /nfs/dbraw/zinc/06/82/40/859068240.db2.gz BGZLOERWYNAWRX-UHFFFAOYSA-N 0 1 418.906 4.263 20 0 HIADMN CN(C(=O)[C@H]1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1)c1ccccc1 ZINC000432291226 859088282 /nfs/dbraw/zinc/08/82/82/859088282.db2.gz HVHDXKLUTROJJC-ZDUSSCGKSA-N 0 1 413.428 4.017 20 0 HIADMN O=C(C[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000432292961 859088594 /nfs/dbraw/zinc/08/85/94/859088594.db2.gz BBJKCTXJACFFBS-ICSRJNTNSA-N 0 1 414.546 4.363 20 0 HIADMN COc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)cc1F ZINC000432339087 859109156 /nfs/dbraw/zinc/10/91/56/859109156.db2.gz ZEAHSHFOLJQQKO-SJKOYZFVSA-N 0 1 407.283 4.053 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2cnccc2-c2ccccc2)cc1Br ZINC000432345166 859112284 /nfs/dbraw/zinc/11/22/84/859112284.db2.gz HAZYRWOMRMHBTL-UHFFFAOYSA-N 0 1 419.300 4.321 20 0 HIADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000467563512 881385796 /nfs/dbraw/zinc/38/57/96/881385796.db2.gz PHEAXMKVFQNYHX-IBGZPJMESA-N 0 1 418.488 4.034 20 0 HIADMN C[NH+](C)[C@@H]1CCOc2c([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cccc21 ZINC000432489152 859189680 /nfs/dbraw/zinc/18/96/80/859189680.db2.gz NPJAIOUMINMISE-QGZVFWFLSA-N 0 1 415.342 4.321 20 0 HIADMN COc1cc(-c2cc3[nH]c(-c4ccnc(C)c4)nc(=O)c3s2)cc(OC)c1OC ZINC000432506344 859199740 /nfs/dbraw/zinc/19/97/40/859199740.db2.gz MPQXLSNVTXQROI-UHFFFAOYSA-N 0 1 409.467 4.048 20 0 HIADMN O=C(N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)[C@H]1CCCc2[nH]ncc21 ZINC000467582468 881397351 /nfs/dbraw/zinc/39/73/51/881397351.db2.gz CLIZHKCOSFFCDW-OYHNWAKOSA-N 0 1 423.900 4.160 20 0 HIADMN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@H]1CCCc2[nH]ncc21 ZINC000467589346 881401102 /nfs/dbraw/zinc/40/11/02/881401102.db2.gz OJTPPJDARHGUPQ-AWEZNQCLSA-N 0 1 416.403 4.352 20 0 HIADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc(OCC(F)(F)F)c1 ZINC000432676014 859285979 /nfs/dbraw/zinc/28/59/79/859285979.db2.gz FCYBWPQGRGIHKB-UHFFFAOYSA-N 0 1 410.461 4.429 20 0 HIADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000432750687 859334525 /nfs/dbraw/zinc/33/45/25/859334525.db2.gz MQAYPSGJFCXSPX-NSHDSACASA-N 0 1 402.404 4.390 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2nc3ccc(F)cc3s2)C1 ZINC000432751403 859334562 /nfs/dbraw/zinc/33/45/62/859334562.db2.gz WGKRPAFQJHNNAW-CYBMUJFWSA-N 0 1 417.472 4.448 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NCc1n[nH]c(C(C)(C)C)n1)C(F)(F)F ZINC000432777227 859355974 /nfs/dbraw/zinc/35/59/74/859355974.db2.gz CKSNLGYERYYRLY-QGZVFWFLSA-N 0 1 406.456 4.298 20 0 HIADMN CC(C)(C)c1nc(CN2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)n[nH]1 ZINC000432779573 859356628 /nfs/dbraw/zinc/35/66/28/859356628.db2.gz DHPHEDRQGSWQSR-MRXNPFEDSA-N 0 1 400.571 4.378 20 0 HIADMN CC(C)(C)c1nc(CN2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)n[nH]1 ZINC000432779572 859357323 /nfs/dbraw/zinc/35/73/23/859357323.db2.gz DHPHEDRQGSWQSR-INIZCTEOSA-N 0 1 400.571 4.378 20 0 HIADMN Cc1ccc(-c2cccnc2)cc1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000432794993 859364035 /nfs/dbraw/zinc/36/40/35/859364035.db2.gz VFKMYWSWMJLLPL-UHFFFAOYSA-N 0 1 422.573 4.413 20 0 HIADMN CC(C)(C)c1nc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)n[nH]1 ZINC000432809540 859370188 /nfs/dbraw/zinc/37/01/88/859370188.db2.gz QFAHDFCQEFNSGT-KRWDZBQOSA-N 0 1 414.351 4.333 20 0 HIADMN CCCN(Cc1nc(C(=O)OCC)cs1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000432825217 859375609 /nfs/dbraw/zinc/37/56/09/859375609.db2.gz UZKFVVQAPUKZLB-IBGZPJMESA-N 0 1 401.576 4.196 20 0 HIADMN Cc1sc([C@H](C)NC[C@@H](O)COCC(F)(F)F)nc1-c1ccc(Cl)cc1 ZINC000432860427 859392904 /nfs/dbraw/zinc/39/29/04/859392904.db2.gz SJANKMPLJFTDNG-IINYFYTJSA-N 0 1 408.873 4.362 20 0 HIADMN Cc1ccc2nc(CNC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3C)[nH]c2c1 ZINC000467611276 881417528 /nfs/dbraw/zinc/41/75/28/881417528.db2.gz AZPYVCYSGWVGFA-UHFFFAOYSA-N 0 1 405.502 4.174 20 0 HIADMN Cc1ccc([C@]2(C)CCN(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)C2)cc1 ZINC000432889139 859410378 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CCOC(=O)c1csc(C2CCN(Cc3c[nH]nc3-c3cccs3)CC2)n1 ZINC000433052073 859501453 /nfs/dbraw/zinc/50/14/53/859501453.db2.gz KOYNUFLAWWSBFU-UHFFFAOYSA-N 0 1 402.545 4.151 20 0 HIADMN CCc1ccc([C@@H]2CCN([C@@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)C2)cc1 ZINC000433052823 859501948 /nfs/dbraw/zinc/50/19/48/859501948.db2.gz NURPRQWZSDOGRV-OXJNMPFZSA-N 0 1 409.530 4.033 20 0 HIADMN CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000433057061 859504310 /nfs/dbraw/zinc/50/43/10/859504310.db2.gz JXBWLFSWDYTVQH-RXVVDRJESA-N 0 1 421.368 4.192 20 0 HIADMN O=C(Nc1nc(-c2ccncc2)n[nH]1)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000433091260 859518494 /nfs/dbraw/zinc/51/84/94/859518494.db2.gz KUMHTEYZPAKEGK-LEWJYISDSA-N 0 1 411.465 4.188 20 0 HIADMN C[C@@H](N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1nc(C(F)(F)F)cs1 ZINC000467632803 881430680 /nfs/dbraw/zinc/43/06/80/881430680.db2.gz JWEWIDJIUGUGPY-ZWNOBZJWSA-N 0 1 411.428 4.225 20 0 HIADMN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1cc(F)c(Cl)cc1F ZINC000433093127 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COc1ccc([C@H](CNC(=O)c2cccc(-c3cscn3)c2)N2CCCC2)cc1 ZINC000463473993 876534072 /nfs/dbraw/zinc/53/40/72/876534072.db2.gz ZNUOWMVWWXNGPO-QFIPXVFZSA-N 0 1 407.539 4.386 20 0 HIADMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1cnn(-c2cccnc2)c1 ZINC000468974478 883042203 /nfs/dbraw/zinc/04/22/03/883042203.db2.gz NBRCRMKFWUDTIY-UHFFFAOYSA-N 0 1 412.428 4.126 20 0 HIADMN CC(C)[C@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccccc1 ZINC000463552519 876637960 /nfs/dbraw/zinc/63/79/60/876637960.db2.gz UOEUOKWXUYKVCL-SFHVURJKSA-N 0 1 413.319 4.290 20 0 HIADMN CC(C)[C@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 ZINC000463552519 876637970 /nfs/dbraw/zinc/63/79/70/876637970.db2.gz UOEUOKWXUYKVCL-SFHVURJKSA-N 0 1 413.319 4.290 20 0 HIADMN CCc1c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cnn1Cc1ccccc1 ZINC000468983843 883049947 /nfs/dbraw/zinc/04/99/47/883049947.db2.gz KRMCNEMJYJMOCO-QFIPXVFZSA-N 0 1 404.514 4.131 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc(NC(=O)C4CC4)cc3)[nH]c2c1 ZINC000463577082 876673889 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419.997 4.056 20 0 HIADMN C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000466273969 880010732 /nfs/dbraw/zinc/01/07/32/880010732.db2.gz ONMGSHDLNYXLDC-WKRCXCSHSA-N 0 1 402.558 4.001 20 0 HIADMN CC[C@@H](NC(=O)N1CCN(Cc2cccc3ccccc32)CC1)c1c(C)nn(C)c1C ZINC000466284177 880026813 /nfs/dbraw/zinc/02/68/13/880026813.db2.gz YXSPZRVZRAHKMJ-HSZRJFAPSA-N 0 1 419.573 4.169 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NCCC3=CCCCC3)CC2)c1C ZINC000503488617 912531709 /nfs/dbraw/zinc/53/17/09/912531709.db2.gz BKGVDTFDZDUNRV-UHFFFAOYSA-N 0 1 414.594 4.203 20 0 HIADMN Clc1ccc(N2CCOCC2)c(CNCc2ccccc2OCc2ccccn2)c1 ZINC000466361204 880118952 /nfs/dbraw/zinc/11/89/52/880118952.db2.gz QVLHIDCBIJQSOG-UHFFFAOYSA-N 0 1 423.944 4.440 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)NCc2cccc3cc[nH]c32)CC1 ZINC000466365291 880123983 /nfs/dbraw/zinc/12/39/83/880123983.db2.gz VEXZLQDSJYFMHQ-UHFFFAOYSA-N 0 1 411.937 4.285 20 0 HIADMN CN(CCC1CCOCC1)CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000466469669 880252158 /nfs/dbraw/zinc/25/21/58/880252158.db2.gz WNUTYIGQFKTAMB-UHFFFAOYSA-N 0 1 423.273 4.155 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000503504985 912554103 /nfs/dbraw/zinc/55/41/03/912554103.db2.gz SRLWEFZVLNFNKL-FQEVSTJZSA-N 0 1 403.473 4.459 20 0 HIADMN COc1cc(OC)cc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000466639725 880414090 /nfs/dbraw/zinc/41/40/90/880414090.db2.gz MICRXXLGJZTYMM-UHFFFAOYSA-N 0 1 416.275 4.133 20 0 HIADMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000466734707 880518057 /nfs/dbraw/zinc/51/80/57/880518057.db2.gz LDACEAWWCKJJAR-HOTGVXAUSA-N 0 1 424.467 4.229 20 0 HIADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CC[C@@H](CC(C)C)C1 ZINC000466742641 880525936 /nfs/dbraw/zinc/52/59/36/880525936.db2.gz ZBVQHQBHLHTLQQ-HNNXBMFYSA-N 0 1 402.457 4.037 20 0 HIADMN Cc1ccc2nc(CNC(=O)Nc3ccc(NC(=O)NCc4ccco4)cc3)[nH]c2c1 ZINC000466764962 880544199 /nfs/dbraw/zinc/54/41/99/880544199.db2.gz IRYNBCPAIMWBAL-UHFFFAOYSA-N 0 1 418.457 4.108 20 0 HIADMN Cc1ccc2nc(CNC(=O)N(Cc3ccc4c(c3)CCO4)C3CCCC3)[nH]c2c1 ZINC000466772131 880552479 /nfs/dbraw/zinc/55/24/79/880552479.db2.gz UAJSLTHKJYTCBO-UHFFFAOYSA-N 0 1 404.514 4.461 20 0 HIADMN COc1ccc2[nH]cc(C3=CCN(Cc4cc(-c5cnn(C)c5C)no4)CC3)c2c1 ZINC000466808080 880586124 /nfs/dbraw/zinc/58/61/24/880586124.db2.gz WTHUTSKOIHRWNL-UHFFFAOYSA-N 0 1 403.486 4.163 20 0 HIADMN CCCNC(=O)[C@@H]1CCCN([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000466826280 880597666 /nfs/dbraw/zinc/59/76/66/880597666.db2.gz OAZKXLNJFFSWCX-CHWSQXEVSA-N 0 1 411.333 4.343 20 0 HIADMN CCN(CC)[C@H](C(=O)NC[C@]1(C)CCO[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000466841978 880610151 /nfs/dbraw/zinc/61/01/51/880610151.db2.gz OHDOSBGICWXBFR-ZVDOUQERSA-N 0 1 412.496 4.410 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(-c4cc[nH]n4)c3)cc2)C[C@H](C)O1 ZINC000466889130 880655592 /nfs/dbraw/zinc/65/55/92/880655592.db2.gz SRXIIUIOIJCGPU-ROUUACIJSA-N 0 1 419.529 4.008 20 0 HIADMN COc1ccc(Oc2ccc(S(=O)(=O)NCc3nc4ccc(C)cc4[nH]3)cc2)cc1 ZINC000466914010 880681023 /nfs/dbraw/zinc/68/10/23/880681023.db2.gz OAXMZGBCGWKDLU-UHFFFAOYSA-N 0 1 423.494 4.151 20 0 HIADMN COCCc1ccccc1NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000466921721 880689096 /nfs/dbraw/zinc/68/90/96/880689096.db2.gz OBGAGHINPMGOCK-NRFANRHFSA-N 0 1 401.938 4.488 20 0 HIADMN Cn1cc(-c2ncccc2NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)cn1 ZINC000466930161 880698957 /nfs/dbraw/zinc/69/89/57/880698957.db2.gz GMGGHKFBLIMFTQ-HXUWFJFHSA-N 0 1 424.936 4.094 20 0 HIADMN COCCc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000466940721 880710557 /nfs/dbraw/zinc/71/05/57/880710557.db2.gz QRNAVXYWUVGTTK-UHFFFAOYSA-N 0 1 401.938 4.315 20 0 HIADMN CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000466964569 880757427 /nfs/dbraw/zinc/75/74/27/880757427.db2.gz PXBUEZBOVKQSEI-INIZCTEOSA-N 0 1 423.506 4.139 20 0 HIADMN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)c1ccc(-n2cccn2)cc1 ZINC000466970801 880772753 /nfs/dbraw/zinc/77/27/53/880772753.db2.gz IKLFQMXZWQIOFH-FQEVSTJZSA-N 0 1 417.557 4.239 20 0 HIADMN O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000466985475 880796219 /nfs/dbraw/zinc/79/62/19/880796219.db2.gz LLLRMJZSNSFQGP-KNQAVFIVSA-N 0 1 416.924 4.291 20 0 HIADMN CC(C)c1ccc(C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1Cl ZINC000466998819 880808915 /nfs/dbraw/zinc/80/89/15/880808915.db2.gz RULLQWKJMOIACJ-UHFFFAOYSA-N 0 1 415.965 4.342 20 0 HIADMN COCc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(Cl)cc2Cl)o1 ZINC000467022022 880823030 /nfs/dbraw/zinc/82/30/30/880823030.db2.gz LLSXUVVVCWLZGW-RHSMWYFYSA-N 0 1 400.302 4.310 20 0 HIADMN COc1ccc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1F ZINC000467049710 880842324 /nfs/dbraw/zinc/84/23/24/880842324.db2.gz VWZIVKDHZHQVMD-UHFFFAOYSA-N 0 1 404.239 4.264 20 0 HIADMN COc1ccc([C@@H](Cc2ccccc2C)NC(=O)[C@H]2CCCc3[nH]ncc32)cc1OC ZINC000467106296 880865682 /nfs/dbraw/zinc/86/56/82/880865682.db2.gz SHCBFFDTDNVBOH-SIKLNZKXSA-N 0 1 419.525 4.255 20 0 HIADMN O=C(NCCCCSc1ccccc1Br)[C@@H]1CCCc2[nH]ncc21 ZINC000467109523 880869466 /nfs/dbraw/zinc/86/94/66/880869466.db2.gz HWJNOJMRKSOBAB-CYBMUJFWSA-N 0 1 408.365 4.281 20 0 HIADMN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000467122359 880877777 /nfs/dbraw/zinc/87/77/77/880877777.db2.gz MHAQEHIWBBRBSW-LAUBAEHRSA-N 0 1 416.543 4.411 20 0 HIADMN O=C(Nc1ccc2[nH]ccc2c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467143395 880884452 /nfs/dbraw/zinc/88/44/52/880884452.db2.gz DTVYPDASWSHAAX-INIZCTEOSA-N 0 1 400.364 4.216 20 0 HIADMN CN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCc2ccccc2C1 ZINC000467148725 880887263 /nfs/dbraw/zinc/88/72/63/880887263.db2.gz GYEZAIHYVXMVFW-OAHLLOKOSA-N 0 1 409.274 4.155 20 0 HIADMN O=C(Nc1ccccc1COCc1ccccc1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467157549 880891357 /nfs/dbraw/zinc/89/13/57/880891357.db2.gz HWSZMGJWIOWPRA-QFIPXVFZSA-N 0 1 413.481 4.433 20 0 HIADMN Cc1cccn2c(NC(=O)N[C@H](c3nnc[nH]3)c3ccccc3)c(-c3ccccc3)nc12 ZINC000467171275 880899481 /nfs/dbraw/zinc/89/94/81/880899481.db2.gz SUKATUQJICOEJC-IBGZPJMESA-N 0 1 423.480 4.339 20 0 HIADMN Cc1ccc(CN(C(=O)[C@@H]2CCCc3[nH]ncc32)c2ccc3c(c2)OCCO3)s1 ZINC000467188531 880916043 /nfs/dbraw/zinc/91/60/43/880916043.db2.gz WRYHODZZAFFHMB-QGZVFWFLSA-N 0 1 409.511 4.204 20 0 HIADMN COC(=O)COc1ccc([C@H](C)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000467193511 880920736 /nfs/dbraw/zinc/92/07/36/880920736.db2.gz BWHRHWMSVPXVJQ-SFHVURJKSA-N 0 1 418.493 4.342 20 0 HIADMN CCOc1ccc(Br)cc1CN(C(=O)[C@H]1CCCc2[nH]ncc21)C1CC1 ZINC000467231914 880958841 /nfs/dbraw/zinc/95/88/41/880958841.db2.gz UMMNMWNXFJSMCF-INIZCTEOSA-N 0 1 418.335 4.182 20 0 HIADMN COCC[C@H]1CCCCN(CC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)C1 ZINC000467264443 881002442 /nfs/dbraw/zinc/00/24/42/881002442.db2.gz NPCSHQJVSXGURJ-QGZVFWFLSA-N 0 1 417.575 4.204 20 0 HIADMN Cc1ccc(C)c(OCCCN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000467277923 881023241 /nfs/dbraw/zinc/02/32/41/881023241.db2.gz KAVXLITYHACFIC-UHFFFAOYSA-N 0 1 414.497 4.155 20 0 HIADMN COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000467282258 881028291 /nfs/dbraw/zinc/02/82/91/881028291.db2.gz ZQLKHFBVWXJKJH-CQSZACIVSA-N 0 1 409.502 4.165 20 0 HIADMN COCC[C@H]1CCCCN(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000467282258 881028317 /nfs/dbraw/zinc/02/83/17/881028317.db2.gz ZQLKHFBVWXJKJH-CQSZACIVSA-N 0 1 409.502 4.165 20 0 HIADMN Cc1nnc(SCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)[nH]1 ZINC000467290327 881035917 /nfs/dbraw/zinc/03/59/17/881035917.db2.gz IDWVTYRJFTWSOC-UHFFFAOYSA-N 0 1 422.341 4.136 20 0 HIADMN Cc1n[nH]c(SCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)n1 ZINC000467290327 881035934 /nfs/dbraw/zinc/03/59/34/881035934.db2.gz IDWVTYRJFTWSOC-UHFFFAOYSA-N 0 1 422.341 4.136 20 0 HIADMN COc1ccc(-c2cc(C(=O)N(Cc3ccnc(OC(C)C)c3)C3CC3)n[nH]2)cc1 ZINC000503564754 912641080 /nfs/dbraw/zinc/64/10/80/912641080.db2.gz DSYCWPSRGJRIKY-UHFFFAOYSA-N 0 1 406.486 4.072 20 0 HIADMN CC(C)CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000467343334 881097232 /nfs/dbraw/zinc/09/72/32/881097232.db2.gz MIHXHQYTZKVZQM-QHCPKHFHSA-N 0 1 423.557 4.003 20 0 HIADMN Fc1cncc([C@H](NCc2cnn(-c3ccc(Br)cc3)c2)C2CC2)c1 ZINC000467374254 881149730 /nfs/dbraw/zinc/14/97/30/881149730.db2.gz VLKWNKNSMYGWMG-LJQANCHMSA-N 0 1 401.283 4.410 20 0 HIADMN COc1ccc([C@@H](C)NCc2ccc(I)c(C)c2)c(OC)c1 ZINC000467389019 881172586 /nfs/dbraw/zinc/17/25/86/881172586.db2.gz OKOHILZQGSXMLX-CYBMUJFWSA-N 0 1 411.283 4.468 20 0 HIADMN Brc1cccc([C@H](NCc2cn3ccccc3n2)C2CCOCC2)c1 ZINC000467397657 881180431 /nfs/dbraw/zinc/18/04/31/881180431.db2.gz YYPQWROZZLWZFQ-HXUWFJFHSA-N 0 1 400.320 4.354 20 0 HIADMN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C ZINC000467401017 881185394 /nfs/dbraw/zinc/18/53/94/881185394.db2.gz NIDKLGNJUHYEKY-UHFFFAOYSA-N 0 1 407.797 4.255 20 0 HIADMN CCS(=O)(=O)c1cccc(CN[C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)c1 ZINC000467411304 881199457 /nfs/dbraw/zinc/19/94/57/881199457.db2.gz NIJFRIACZQYZKH-HNNXBMFYSA-N 0 1 417.962 4.479 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000467418210 881207181 /nfs/dbraw/zinc/20/71/81/881207181.db2.gz 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CC(C)Sc1ccccc1C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000505051367 913792105 /nfs/dbraw/zinc/79/21/05/913792105.db2.gz JSXVKDDKLHYHMQ-UHFFFAOYSA-N 0 1 424.570 4.190 20 0 HIADMN COc1ccc(CNC(=O)NCc2nc3ccc(C)cc3[nH]2)c(OC2CCCC2)c1 ZINC000478436654 893735942 /nfs/dbraw/zinc/73/59/42/893735942.db2.gz XOXSNINMQLYHMN-UHFFFAOYSA-N 0 1 408.502 4.201 20 0 HIADMN Cc1cccc2nc(CCC(=O)NCCc3cccc(OCC(F)(F)F)c3)[nH]c21 ZINC000478519796 893826784 /nfs/dbraw/zinc/82/67/84/893826784.db2.gz UAHMCJISUZDZMZ-UHFFFAOYSA-N 0 1 405.420 4.104 20 0 HIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)n[nH]1 ZINC000505081501 913808509 /nfs/dbraw/zinc/80/85/09/913808509.db2.gz ZMUGSNMTPLOXRL-PWSUYJOCSA-N 0 1 417.510 4.389 20 0 HIADMN O=C1Nc2ccccc2CC[C@@H]1Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000478549783 893844420 /nfs/dbraw/zinc/84/44/20/893844420.db2.gz ABUKZGCDENVJCB-HNNXBMFYSA-N 0 1 415.316 4.280 20 0 HIADMN O=C1Nc2ccccc2CC[C@H]1Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000478549784 893844443 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ZINC000539113316 938804976 /nfs/dbraw/zinc/80/49/76/938804976.db2.gz QODCQLGAQVDZAO-UHFFFAOYSA-N 0 1 413.833 4.441 20 0 HIADMN COc1cc(C)ccc1[C@@H](C)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000539119496 938805455 /nfs/dbraw/zinc/80/54/55/938805455.db2.gz DMUVGWLAKBAPHD-CYBMUJFWSA-N 0 1 401.308 4.402 20 0 HIADMN COc1cc(C)ccc1[C@@H](C)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000539119496 938805456 /nfs/dbraw/zinc/80/54/56/938805456.db2.gz DMUVGWLAKBAPHD-CYBMUJFWSA-N 0 1 401.308 4.402 20 0 HIADMN C[C@@H](OC[C@@H](O)CN1CC(c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000539144785 938810754 /nfs/dbraw/zinc/81/07/54/938810754.db2.gz URYYIBWTMGSACJ-KDOFPFPSSA-N 0 1 402.947 4.488 20 0 HIADMN CN(C)Cc1cc(CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1F ZINC000539156339 938813268 /nfs/dbraw/zinc/81/32/68/938813268.db2.gz ZXFNYVVYMKQTPY-VQTJNVASSA-N 0 1 423.891 4.009 20 0 HIADMN Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1C ZINC000539178476 938816255 /nfs/dbraw/zinc/81/62/55/938816255.db2.gz POOGDTIRDHNIHW-GOSISDBHSA-N 0 1 412.440 4.420 20 0 HIADMN COc1ccc([C@H](NCc2ccccc2S(=O)(=O)N2CCCCC2)C2CC2)cc1 ZINC000539215084 938819968 /nfs/dbraw/zinc/81/99/68/938819968.db2.gz IAYPPIISOAQACB-HSZRJFAPSA-N 0 1 414.571 4.111 20 0 HIADMN Cc1cc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1Oc1ccc(F)cc1 ZINC000539216907 938820146 /nfs/dbraw/zinc/82/01/46/938820146.db2.gz LKZFRZLSCIHZBZ-MRXNPFEDSA-N 0 1 414.502 4.425 20 0 HIADMN C[C@@H](NCc1ccc(Oc2ccccc2F)c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000539216261 938820207 /nfs/dbraw/zinc/82/02/07/938820207.db2.gz BTLIGAWXGOIASJ-CQSZACIVSA-N 0 1 418.465 4.255 20 0 HIADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000539216265 938820272 /nfs/dbraw/zinc/82/02/72/938820272.db2.gz CCJXRLUQHISUDM-IFXJQAMLSA-N 0 1 410.967 4.434 20 0 HIADMN COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000539220337 938820896 /nfs/dbraw/zinc/82/08/96/938820896.db2.gz SAXKBUWJBAXXLG-MSOLQXFVSA-N 0 1 406.530 4.395 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc(OC)c1OC ZINC000539223581 938821160 /nfs/dbraw/zinc/82/11/60/938821160.db2.gz IHGDLPCCERMBJC-VXGBXAGGSA-N 0 1 410.873 4.183 20 0 HIADMN CC(C)N(C(=O)CN[C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(C)C ZINC000539225812 938821450 /nfs/dbraw/zinc/82/14/50/938821450.db2.gz JZACUJXNCZOJBN-GOSISDBHSA-N 0 1 413.537 4.303 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000539227379 938821795 /nfs/dbraw/zinc/82/17/95/938821795.db2.gz RSPSSKFDVKONMC-LLVKDONJSA-N 0 1 413.301 4.309 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN[C@H](C)c1ccccc1OC(C)C ZINC000539226214 938821850 /nfs/dbraw/zinc/82/18/50/938821850.db2.gz RKUYZGLZYVFCGI-GOSISDBHSA-N 0 1 420.557 4.243 20 0 HIADMN COc1cc(NC(=O)CN[C@@H](C)c2cccc(OC(C)C)c2)c(OC)cc1Cl ZINC000539228486 938822142 /nfs/dbraw/zinc/82/21/42/938822142.db2.gz FFVLVLPJRDKSTF-AWEZNQCLSA-N 0 1 406.910 4.434 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000539228524 938822172 /nfs/dbraw/zinc/82/21/72/938822172.db2.gz GEJWFZYRFOOZBH-SFHVURJKSA-N 0 1 420.557 4.243 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000539230410 938822320 /nfs/dbraw/zinc/82/23/20/938822320.db2.gz WNCNXFCVZCCWCA-LLVKDONJSA-N 0 1 411.836 4.189 20 0 HIADMN COc1ccc([C@H](CCO)NCC(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1 ZINC000539230771 938822428 /nfs/dbraw/zinc/82/24/28/938822428.db2.gz HWWMPNJOFUJTJD-ZCYQVOJMSA-N 0 1 410.558 4.146 20 0 HIADMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)o1 ZINC000539231010 938822477 /nfs/dbraw/zinc/82/24/77/938822477.db2.gz IBBSJHXDZRCRCW-FQEVSTJZSA-N 0 1 406.548 4.168 20 0 HIADMN COc1cccc([C@H](C)NCC(=O)NCc2ccc(COc3ccccc3)cc2)c1 ZINC000539234445 938823067 /nfs/dbraw/zinc/82/30/67/938823067.db2.gz YDAUVZNKYNFZPA-IBGZPJMESA-N 0 1 404.510 4.241 20 0 HIADMN COc1ccccc1COC[C@@H](O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000539242821 938824609 /nfs/dbraw/zinc/82/46/09/938824609.db2.gz BWSCDYCYMVCYHL-OCCSQVGLSA-N 0 1 402.293 4.369 20 0 HIADMN C[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000539246815 938825179 /nfs/dbraw/zinc/82/51/79/938825179.db2.gz QXMTZODEMMAKIE-GJZGRUSLSA-N 0 1 417.456 4.093 20 0 HIADMN C[C@@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1OC(F)F ZINC000539246649 938825235 /nfs/dbraw/zinc/82/52/35/938825235.db2.gz PLPCJPPLLLLMKT-KUHUBIRLSA-N 0 1 417.481 4.301 20 0 HIADMN C[C@@H](NCC(=O)NCc1cccc(Cl)c1)c1cccc(OCc2ccccn2)c1 ZINC000539252482 938826379 /nfs/dbraw/zinc/82/63/79/938826379.db2.gz GNHXPFZVVJOFHD-QGZVFWFLSA-N 0 1 409.917 4.281 20 0 HIADMN COc1cc([C@H](C)NCc2cnn(C)c2C(F)(F)F)ccc1OCc1ccncc1 ZINC000539252547 938826433 /nfs/dbraw/zinc/82/64/33/938826433.db2.gz MGVBJLAIDOXBEN-AWEZNQCLSA-N 0 1 420.435 4.272 20 0 HIADMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1OC(F)F ZINC000539251970 938826460 /nfs/dbraw/zinc/82/64/60/938826460.db2.gz GUJAYBPCJHGXOC-UGSOOPFHSA-N 0 1 405.445 4.314 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)N[C@H]2CCOc3ccccc32)ccc1OC1CCCC1 ZINC000539253192 938826832 /nfs/dbraw/zinc/82/68/32/938826832.db2.gz CJOFVYYUHCQWBC-UTKZUKDTSA-N 0 1 424.541 4.307 20 0 HIADMN C[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1cccc(OCc2ccccn2)c1 ZINC000539253407 938827121 /nfs/dbraw/zinc/82/71/21/938827121.db2.gz DTLRJCSUIVDZGV-INIZCTEOSA-N 0 1 408.502 4.235 20 0 HIADMN C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)no1)c1cccc(OCc2ccccn2)c1 ZINC000539253408 938827169 /nfs/dbraw/zinc/82/71/69/938827169.db2.gz DTLRJCSUIVDZGV-MRXNPFEDSA-N 0 1 408.502 4.235 20 0 HIADMN C[C@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000539265058 938829808 /nfs/dbraw/zinc/82/98/08/938829808.db2.gz MMODECRDLQXISS-YVEFUNNKSA-N 0 1 414.374 4.362 20 0 HIADMN CCOc1ccc([C@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1OCC ZINC000539265705 938829827 /nfs/dbraw/zinc/82/98/27/938829827.db2.gz KKPGHWKDZWMPFJ-IRXDYDNUSA-N 0 1 402.510 4.493 20 0 HIADMN O=C(CN[C@@H](COc1ccccc1F)c1ccccc1)Nc1ccc(F)cc1F ZINC000539267594 938830413 /nfs/dbraw/zinc/83/04/13/938830413.db2.gz JDFUMYNHANVSHN-FQEVSTJZSA-N 0 1 400.400 4.452 20 0 HIADMN CC[C@H](NCC(=O)N(CC)c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000539276742 938831809 /nfs/dbraw/zinc/83/18/09/938831809.db2.gz JTDANXOHFRZSAG-INIZCTEOSA-N 0 1 411.527 4.161 20 0 HIADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000539286697 938833970 /nfs/dbraw/zinc/83/39/70/938833970.db2.gz IAZPMKWEPAVFER-UHFFFAOYSA-N 0 1 404.938 4.231 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1cc(OC)c(OC)cc1C ZINC000539289015 938834148 /nfs/dbraw/zinc/83/41/48/938834148.db2.gz IICOPFNGQWVGEI-CQSZACIVSA-N 0 1 406.910 4.272 20 0 HIADMN COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539298678 938836439 /nfs/dbraw/zinc/83/64/39/938836439.db2.gz KCCBNCKIFRSMPO-SJORKVTESA-N 0 1 418.497 4.020 20 0 HIADMN O=C(Nc1cccc(CN[C@H]2CCCOc3cc(Cl)ccc32)c1)[C@H]1CCCO1 ZINC000539307844 938838277 /nfs/dbraw/zinc/83/82/77/938838277.db2.gz BQFDMRFTZJHORK-VQTJNVASSA-N 0 1 400.906 4.461 20 0 HIADMN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000539309773 938838594 /nfs/dbraw/zinc/83/85/94/938838594.db2.gz SKECPSXZHYJDLG-VQTJNVASSA-N 0 1 415.969 4.364 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000539311054 938839020 /nfs/dbraw/zinc/83/90/20/938839020.db2.gz ADYJITVVOBZHLT-MSOLQXFVSA-N 0 1 423.536 4.429 20 0 HIADMN CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000563504299 945208619 /nfs/dbraw/zinc/20/86/19/945208619.db2.gz AJRUQQKWTNKGLT-AWEZNQCLSA-N 0 1 403.504 4.003 20 0 HIADMN O=C(CN[C@H](COc1cccc(F)c1)c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000539321205 938840782 /nfs/dbraw/zinc/84/07/82/938840782.db2.gz DJLAHEVFRLOCMY-LJQANCHMSA-N 0 1 410.411 4.177 20 0 HIADMN C[C@H](NCC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccc(-c2ccncc2)cc1 ZINC000539336132 938844046 /nfs/dbraw/zinc/84/40/46/938844046.db2.gz DPBNZNKFRPGXJZ-LEWJYISDSA-N 0 1 414.553 4.042 20 0 HIADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000539342073 938845217 /nfs/dbraw/zinc/84/52/17/938845217.db2.gz GPMOKYPSMZJDNV-HNNXBMFYSA-N 0 1 422.447 4.176 20 0 HIADMN CN(C)C(=O)c1ccc(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000539359113 938848259 /nfs/dbraw/zinc/84/82/59/938848259.db2.gz NHDQWNYDQKOKQA-QHCPKHFHSA-N 0 1 419.500 4.040 20 0 HIADMN Cc1c([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2Cl)cnn1-c1ccc(F)cc1 ZINC000539365479 938849336 /nfs/dbraw/zinc/84/93/36/938849336.db2.gz WQFRWIAWYKHFMN-HUUCEWRRSA-N 0 1 414.912 4.329 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000539366430 938849502 /nfs/dbraw/zinc/84/95/02/938849502.db2.gz TXCDAFJEJDVZGJ-HNNXBMFYSA-N 0 1 416.371 4.049 20 0 HIADMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000539378605 938851566 /nfs/dbraw/zinc/85/15/66/938851566.db2.gz AWNNIRDZCCMGEZ-OAQYLSRUSA-N 0 1 409.530 4.138 20 0 HIADMN Cn1cc([C@@H](NCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C(C)(C)C)cn1 ZINC000539378918 938851739 /nfs/dbraw/zinc/85/17/39/938851739.db2.gz HDIWBSFZAMNNHH-XZOQPEGZSA-N 0 1 422.598 4.333 20 0 HIADMN Cn1ccc([C@H](NCCCc2nc(-c3ccncc3)cs2)c2ccc(F)cc2)n1 ZINC000539396814 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O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(N2CCCC2=O)ccc1F ZINC000540859938 939398564 /nfs/dbraw/zinc/39/85/64/939398564.db2.gz YYRHSCOXRHJLIH-UHFFFAOYSA-N 0 1 415.428 4.143 20 0 HIADMN Cc1cccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)c1Cl ZINC000540863298 939401475 /nfs/dbraw/zinc/40/14/75/939401475.db2.gz ZKCGTJFTQYMFMU-INIZCTEOSA-N 0 1 416.934 4.002 20 0 HIADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000540866367 939403280 /nfs/dbraw/zinc/40/32/80/939403280.db2.gz RVRBCEJGGBILSZ-UGKGYDQZSA-N 0 1 419.529 4.071 20 0 HIADMN CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000540866367 939403284 /nfs/dbraw/zinc/40/32/84/939403284.db2.gz RVRBCEJGGBILSZ-UGKGYDQZSA-N 0 1 419.529 4.071 20 0 HIADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1 ZINC000540866804 939403315 /nfs/dbraw/zinc/40/33/15/939403315.db2.gz QTHQJNGCGBEDON-UZLBHIALSA-N 0 1 423.561 4.262 20 0 HIADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000540866804 939403318 /nfs/dbraw/zinc/40/33/18/939403318.db2.gz QTHQJNGCGBEDON-UZLBHIALSA-N 0 1 423.561 4.262 20 0 HIADMN OC[C@@H](CN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl)Cc1ccco1 ZINC000540911702 939416391 /nfs/dbraw/zinc/41/63/91/939416391.db2.gz DBDIPINONYZEME-WAIKUNEKSA-N 0 1 413.901 4.234 20 0 HIADMN Cc1ccc([C@H](NCCN(C)c2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000540915645 939416898 /nfs/dbraw/zinc/41/68/98/939416898.db2.gz FOWXHAUMDHWYJH-DEOSSOPVSA-N 0 1 408.567 4.214 20 0 HIADMN O=S(=O)(Cc1ccc(F)cc1F)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000540941690 939419194 /nfs/dbraw/zinc/41/91/94/939419194.db2.gz JHBIBLGONSJYAZ-QGZVFWFLSA-N 0 1 411.861 4.161 20 0 HIADMN COc1cc(C)c(CNCc2cccc(C(=O)NCc3ccc(C)cc3)c2)c(C)n1 ZINC000540978789 939423775 /nfs/dbraw/zinc/42/37/75/939423775.db2.gz NJWRRJGLYBRMEW-UHFFFAOYSA-N 0 1 403.526 4.235 20 0 HIADMN CCOC(=O)COc1c(Br)cc(C)cc1CNCc1ccc(F)cc1 ZINC000540998506 939428355 /nfs/dbraw/zinc/42/83/55/939428355.db2.gz VJIDJOVNZJHFRG-UHFFFAOYSA-N 0 1 410.283 4.128 20 0 HIADMN CN(Cc1ccco1)Cc1ccccc1CNCc1ncc(Br)s1 ZINC000541066390 939447767 /nfs/dbraw/zinc/44/77/67/939447767.db2.gz AGKHFTZPCGLHAM-UHFFFAOYSA-N 0 1 406.349 4.420 20 0 HIADMN O=C(CSc1nnc2ccccn21)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000541106956 939462866 /nfs/dbraw/zinc/46/28/66/939462866.db2.gz XURMVMOFQUTGFP-UHFFFAOYSA-N 0 1 406.515 4.384 20 0 HIADMN CCN(CC)C(=O)CCC1CCN(Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000541119807 939467907 /nfs/dbraw/zinc/46/79/07/939467907.db2.gz HQUCTUPUMIRYPM-UHFFFAOYSA-N 0 1 405.489 4.480 20 0 HIADMN COc1cc(OC)cc([C@H](N[C@@H](C)CCc2n[nH]c3ccccc23)c2nccn2C)c1 ZINC000541154243 939478443 /nfs/dbraw/zinc/47/84/43/939478443.db2.gz IJTVHTVVGDESRY-HJPURHCSSA-N 0 1 419.529 4.014 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N2CCC(c3ccc(C)nc3)CC2)N2CCCC2)c1 ZINC000541180852 939484574 /nfs/dbraw/zinc/48/45/74/939484574.db2.gz ORWIBNRMRDTWRH-XMMPIXPASA-N 0 1 422.573 4.125 20 0 HIADMN CC(C)N(CC(F)(F)F)C(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000541195213 939485188 /nfs/dbraw/zinc/48/51/88/939485188.db2.gz LFWVRJXPASZDOZ-SFHVURJKSA-N 0 1 413.871 4.408 20 0 HIADMN COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000541209427 939485748 /nfs/dbraw/zinc/48/57/48/939485748.db2.gz KLVVOFSUCRZRMA-KBPBESRZSA-N 0 1 403.548 4.295 20 0 HIADMN CC(C)Cn1cc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)cn1 ZINC000541223397 939486403 /nfs/dbraw/zinc/48/64/03/939486403.db2.gz UEKXCXFHKGDJLI-UHFFFAOYSA-N 0 1 419.367 4.152 20 0 HIADMN COc1ccccc1OCCNC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000541267996 939488519 /nfs/dbraw/zinc/48/85/19/939488519.db2.gz DGCQRRHYNRRVMO-UHFFFAOYSA-N 0 1 404.510 4.136 20 0 HIADMN Cc1ccc(C(=O)C2CCN(C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000541281531 939489166 /nfs/dbraw/zinc/48/91/66/939489166.db2.gz BLKARLLVUWEFFF-LJQANCHMSA-N 0 1 421.459 4.348 20 0 HIADMN CC(=O)NC1CCC(N(C)CC(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000541317011 939490615 /nfs/dbraw/zinc/49/06/15/939490615.db2.gz SSUQUIYHOPHRFC-UHFFFAOYSA-N 0 1 409.530 4.105 20 0 HIADMN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CC(=O)Nc2c(C)n[nH]c2C)c1 ZINC000541329922 939491132 /nfs/dbraw/zinc/49/11/32/939491132.db2.gz UMFVVZRYRXMPPB-ZJSXRUAMSA-N 0 1 404.514 4.204 20 0 HIADMN COc1cccc([C@H]2[C@H](c3ccccc3)CCN2CC(=O)Nc2c(C)nn(C)c2C)c1 ZINC000541331439 939491210 /nfs/dbraw/zinc/49/12/10/939491210.db2.gz ZYCKXDBDJCNZAF-DHLKQENFSA-N 0 1 418.541 4.215 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3ccc(-c4ccc[nH]4)cc3)[nH]c2c1 ZINC000541365378 939497687 /nfs/dbraw/zinc/49/76/87/939497687.db2.gz RUHOJAQVYWTYKA-NRFANRHFSA-N 0 1 413.481 4.169 20 0 HIADMN CN(C)[C@@H](CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)c1cccc(F)c1 ZINC000541406515 939507415 /nfs/dbraw/zinc/50/74/15/939507415.db2.gz CKUGVKRWYPJPMD-KNQAVFIVSA-N 0 1 412.553 4.051 20 0 HIADMN CCc1nc(CSc2nnc(-c3ccccc3OC)n2CCc2ccccc2)n[nH]1 ZINC000541407261 939507577 /nfs/dbraw/zinc/50/75/77/939507577.db2.gz KVOHPOSLDYVABC-UHFFFAOYSA-N 0 1 420.542 4.169 20 0 HIADMN O=C(N[C@H]1CCCOc2ccccc21)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 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O=C(Nc1nc2ccccc2s1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000541591877 939562339 /nfs/dbraw/zinc/56/23/39/939562339.db2.gz PANDPPGCQVXUFG-AWEZNQCLSA-N 0 1 418.404 4.344 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000541600182 939564748 /nfs/dbraw/zinc/56/47/48/939564748.db2.gz WJYPLNAYCMDCJA-BZNIZROVSA-N 0 1 414.859 4.172 20 0 HIADMN CSc1ccc(NC(=O)CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000541600102 939564842 /nfs/dbraw/zinc/56/48/42/939564842.db2.gz YKBPNXCAPIEPFC-LLVKDONJSA-N 0 1 400.470 4.073 20 0 HIADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000541609874 939569435 /nfs/dbraw/zinc/56/94/35/939569435.db2.gz CSBOHAVLAYYGKC-ROUUACIJSA-N 0 1 408.521 4.408 20 0 HIADMN Cc1c([C@H](C)NCC(=O)N[C@H]2CCCc3ccccc32)cnn1-c1ccc(F)cc1 ZINC000541612535 939570209 /nfs/dbraw/zinc/57/02/09/939570209.db2.gz XYGHOJIKCPRYSV-HJPURHCSSA-N 0 1 406.505 4.164 20 0 HIADMN COCCN(C(C)=O)c1nc(CN[C@H](C)C(c2ccccc2)c2ccccc2)cs1 ZINC000541631075 939576429 /nfs/dbraw/zinc/57/64/29/939576429.db2.gz ZDXIFOZECJJYNB-GOSISDBHSA-N 0 1 423.582 4.453 20 0 HIADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCC(=O)Nc1ccc2c(c1)OCO2 ZINC000541660423 939592501 /nfs/dbraw/zinc/59/25/01/939592501.db2.gz DDZPVNPYCZMCSR-AWEZNQCLSA-N 0 1 409.511 4.445 20 0 HIADMN CCN1CCN([C@@H]2CCN(C(=O)c3cc(Cl)ccc3SC3CCCC3)C2)CC1 ZINC000541663525 939594958 /nfs/dbraw/zinc/59/49/58/939594958.db2.gz XSRUDQKBIDYIOY-GOSISDBHSA-N 0 1 422.038 4.227 20 0 HIADMN CN(CC(=O)Nc1ccccc1OC(F)F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541701051 939608847 /nfs/dbraw/zinc/60/88/47/939608847.db2.gz IQMKKRWAYRZTKK-QFBILLFUSA-N 0 1 408.420 4.218 20 0 HIADMN CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541701983 939609540 /nfs/dbraw/zinc/60/95/40/939609540.db2.gz IXMGJTMPRVRYAJ-LPHOPBHVSA-N 0 1 401.869 4.480 20 0 HIADMN O=C(CSc1nc(-c2ccccc2)no1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000541726923 939615044 /nfs/dbraw/zinc/61/50/44/939615044.db2.gz PHSDWTJPXKNKTR-KRWDZBQOSA-N 0 1 421.482 4.195 20 0 HIADMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2cnn(-c3ccccc3)c2)cc1 ZINC000541749748 939620208 /nfs/dbraw/zinc/62/02/08/939620208.db2.gz RQWSFYPIBUVZCI-PKTZIBPZSA-N 0 1 409.555 4.055 20 0 HIADMN COc1cccc(Cl)c1CN[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000541770483 939626301 /nfs/dbraw/zinc/62/63/01/939626301.db2.gz FKZALYKHJWKVRB-MRXNPFEDSA-N 0 1 401.938 4.456 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC=C(c4ccccc4F)C3)cc2)C[C@@H](C)O1 ZINC000541785407 939629497 /nfs/dbraw/zinc/62/94/97/939629497.db2.gz OTZFZQZNILXPGT-RTBURBONSA-N 0 1 423.532 4.044 20 0 HIADMN Cc1occc1-c1nnc(SCc2nc3ccc(Br)cc3[nH]2)n1C ZINC000541785832 939629704 /nfs/dbraw/zinc/62/97/04/939629704.db2.gz KTHJKLHKOMIQGL-UHFFFAOYSA-N 0 1 404.293 4.315 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1cccc(F)c1 ZINC000541800900 939636426 /nfs/dbraw/zinc/63/64/26/939636426.db2.gz XHGCCTNCWCQCIG-SFHVURJKSA-N 0 1 424.524 4.128 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)c1cccc(F)c1 ZINC000541800899 939636538 /nfs/dbraw/zinc/63/65/38/939636538.db2.gz XHGCCTNCWCQCIG-GOSISDBHSA-N 0 1 424.524 4.128 20 0 HIADMN C[C@H](NC(=O)c1cccc2nc(-c3cccs3)[nH]c21)c1ccc(NC(N)=O)cc1 ZINC000541843938 939645948 /nfs/dbraw/zinc/64/59/48/939645948.db2.gz SNBMWELWYPNZMD-LBPRGKRZSA-N 0 1 405.483 4.273 20 0 HIADMN O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1)c1ccccc1 ZINC000541861527 939647895 /nfs/dbraw/zinc/64/78/95/939647895.db2.gz LFHHZGUZFRQANI-KRWDZBQOSA-N 0 1 407.543 4.376 20 0 HIADMN C[C@@H]1CN(Cc2cccc(N[C@H](c3ccn(C)n3)c3ccc(F)cc3)c2)C[C@@H](C)O1 ZINC000541917100 939653284 /nfs/dbraw/zinc/65/32/84/939653284.db2.gz AXWPFRHFMZALCL-GGUMNFRJSA-N 0 1 408.521 4.370 20 0 HIADMN CC(C)S(=O)(=O)c1ccc(CN(Cc2ccccc2)CC2CCOCC2)cc1 ZINC000541982767 939669782 /nfs/dbraw/zinc/66/97/82/939669782.db2.gz AGVUDEHLLDTFKK-UHFFFAOYSA-N 0 1 401.572 4.298 20 0 HIADMN CC(C)[C@@H](NCC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1F ZINC000541989031 939671371 /nfs/dbraw/zinc/67/13/71/939671371.db2.gz KORMFUAYRCUCCK-OAQYLSRUSA-N 0 1 417.912 4.297 20 0 HIADMN Cn1cc(-c2ccc(F)c(C(=O)Nc3ccc4nc([C@H]5CCCO5)[nH]c4c3)c2)cn1 ZINC000542008373 939683658 /nfs/dbraw/zinc/68/36/58/939683658.db2.gz JXIAEYGDDYPPCD-HXUWFJFHSA-N 0 1 405.433 4.206 20 0 HIADMN COC(=O)c1ccc(-c2nc(CN[C@@H](C[C@@H]3CCOC3)c3ccccc3)co2)cc1 ZINC000542040247 939696364 /nfs/dbraw/zinc/69/63/64/939696364.db2.gz AASLZYVBPPFKHK-JTSKRJEESA-N 0 1 406.482 4.386 20 0 HIADMN Cc1cc(C2CCN(CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC2)n[nH]1 ZINC000542045171 939697793 /nfs/dbraw/zinc/69/77/93/939697793.db2.gz PGEQSMLIKCZVSZ-DEOSSOPVSA-N 0 1 420.582 4.133 20 0 HIADMN Cc1cc(C2CCN(CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC2)[nH]n1 ZINC000542045171 939697798 /nfs/dbraw/zinc/69/77/98/939697798.db2.gz PGEQSMLIKCZVSZ-DEOSSOPVSA-N 0 1 420.582 4.133 20 0 HIADMN CN1CC[C@@H]2CCN(C(=O)c3ccc(-c4ccc(Br)s4)s3)[C@H]2C1 ZINC000542084429 939705528 /nfs/dbraw/zinc/70/55/28/939705528.db2.gz RJXMGYLNWUUUJK-NEPJUHHUSA-N 0 1 411.390 4.405 20 0 HIADMN CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 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COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CCCS(=O)(=O)C(C)C)c1 ZINC000542260547 939776002 /nfs/dbraw/zinc/77/60/02/939776002.db2.gz FGXCIRDBKZFTCI-XZOQPEGZSA-N 0 1 401.572 4.439 20 0 HIADMN COCc1cnc(CNC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)s1 ZINC000542311941 939795780 /nfs/dbraw/zinc/79/57/80/939795780.db2.gz YDKXSBSWBPJTRB-UHFFFAOYSA-N 0 1 400.375 4.351 20 0 HIADMN Cc1nc(-c2ccc(C)cc2NC(=O)CN2CC[C@@H](c3cc(C)cc(C)c3)C2)n[nH]1 ZINC000542315410 939797879 /nfs/dbraw/zinc/79/78/79/939797879.db2.gz FIKDJIQLVOOMAF-LJQANCHMSA-N 0 1 403.530 4.133 20 0 HIADMN COc1cccc([C@H](CNC(=O)N2C[C@H](C)C[C@@H]2c2cccc(OC)c2)N(C)C)c1 ZINC000542378015 939810537 /nfs/dbraw/zinc/81/05/37/939810537.db2.gz LDNZFEAHMOCRAV-ZQMYSKGWSA-N 0 1 411.546 4.099 20 0 HIADMN C[C@@]1(NC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CCO[C@@H]1C1CC1 ZINC000542381432 939811266 /nfs/dbraw/zinc/81/12/66/939811266.db2.gz VUOQWACLIUXTDA-CZUORRHYSA-N 0 1 418.366 4.296 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2nc(Cc3ccccc3)cs2)CC1 ZINC000542393880 939813394 /nfs/dbraw/zinc/81/33/94/939813394.db2.gz USNHXOQOJZKKGS-KRWDZBQOSA-N 0 1 421.570 4.476 20 0 HIADMN CCO[C@H](CCNC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1)C(C)C ZINC000542437781 939822730 /nfs/dbraw/zinc/82/27/30/939822730.db2.gz HJXVOUZIYBVAHC-RBUKOAKNSA-N 0 1 405.587 4.193 20 0 HIADMN CCO[C@@H](CCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)C(C)C ZINC000542437778 939822830 /nfs/dbraw/zinc/82/28/30/939822830.db2.gz HJXVOUZIYBVAHC-MOPGFXCFSA-N 0 1 405.587 4.193 20 0 HIADMN O=C(NCCc1ccc(Cl)s1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542442310 939823810 /nfs/dbraw/zinc/82/38/10/939823810.db2.gz PHZMMIXKGJENBJ-HNNXBMFYSA-N 0 1 415.950 4.318 20 0 HIADMN CC(C)c1cc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)n(C)n1 ZINC000542471019 939828379 /nfs/dbraw/zinc/82/83/79/939828379.db2.gz NNRWBCJSQSSNBB-FQEVSTJZSA-N 0 1 404.505 4.167 20 0 HIADMN Cc1[nH]c2ccc(C(=O)N[C@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)cc2c1C ZINC000542475374 939829535 /nfs/dbraw/zinc/82/95/35/939829535.db2.gz 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Cc1ccccc1SCC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544358517 940400243 /nfs/dbraw/zinc/40/02/43/940400243.db2.gz CBCHUBNWWGFYFM-KRWDZBQOSA-N 0 1 406.433 4.130 20 0 HIADMN Cc1cccc2[nH]cc(CC(=O)N[C@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)c21 ZINC000544359138 940400610 /nfs/dbraw/zinc/40/06/10/940400610.db2.gz CLUMGLSJDJAUTG-IBGZPJMESA-N 0 1 413.403 4.062 20 0 HIADMN COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)on1 ZINC000544362032 940401695 /nfs/dbraw/zinc/40/16/95/940401695.db2.gz CLALVDBPULOHIC-QGZVFWFLSA-N 0 1 416.359 4.098 20 0 HIADMN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000544385200 940407698 /nfs/dbraw/zinc/40/76/98/940407698.db2.gz FFZDVFFZEOBBDD-HZMBPMFUSA-N 0 1 403.388 4.342 20 0 HIADMN C[C@H](CNCc1ncc(Br)cc1Br)Oc1ccc(F)cc1 ZINC000544406884 940415121 /nfs/dbraw/zinc/41/51/21/940415121.db2.gz OOWGAOUKDFFXKQ-SNVBAGLBSA-N 0 1 418.104 4.303 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000544420387 940419587 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CCOCCOCc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000055633287 850085473 /nfs/dbraw/zinc/08/54/73/850085473.db2.gz YOXOKNFWMMRRDL-UHFFFAOYSA-N 0 1 403.422 4.059 20 0 HIADMN C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2[O-])[C@@H]1c1cccs1 ZINC000436917885 862098853 /nfs/dbraw/zinc/09/88/53/862098853.db2.gz CKWTYSCGTKADGV-SJKOYZFVSA-N 0 1 409.349 4.029 20 0 HIADMN C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)ccc2[O-])[C@@H]1c1cccs1 ZINC000436917885 862098867 /nfs/dbraw/zinc/09/88/67/862098867.db2.gz CKWTYSCGTKADGV-SJKOYZFVSA-N 0 1 409.349 4.029 20 0 HIADMN C[C@@H]1CN(Cc2ccccc2NCC(=O)Nc2ccc(F)cc2Cl)C[C@H](C)O1 ZINC000055870160 850188339 /nfs/dbraw/zinc/18/83/39/850188339.db2.gz BYPYBKKGBHYNHQ-GASCZTMLSA-N 0 1 405.901 4.139 20 0 HIADMN C[C@@H]1CN(Cc2ccccc2NCC(=O)Nc2ccc(F)cc2Cl)C[C@@H](C)O1 ZINC000055870162 850188624 /nfs/dbraw/zinc/18/86/24/850188624.db2.gz BYPYBKKGBHYNHQ-HUUCEWRRSA-N 0 1 405.901 4.139 20 0 HIADMN CN(Cc1ccc(OC(F)F)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055898043 850200916 /nfs/dbraw/zinc/20/09/16/850200916.db2.gz HDTBZDPAROHTPJ-UHFFFAOYSA-N 0 1 400.425 4.443 20 0 HIADMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCN(c2nccc3sccc32)CC1 ZINC000436922308 862103274 /nfs/dbraw/zinc/10/32/74/862103274.db2.gz MSPQMCVPDCLMNZ-UHFFFAOYSA-N 0 1 408.310 4.271 20 0 HIADMN Cc1cc(CSc2ccccc2C(=O)N2CCN(CCC(C)(C)C)CC2)on1 ZINC000056043279 850235137 /nfs/dbraw/zinc/23/51/37/850235137.db2.gz WODADFBJAKDRTM-UHFFFAOYSA-N 0 1 401.576 4.469 20 0 HIADMN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1Cl ZINC000056094025 850242773 /nfs/dbraw/zinc/24/27/73/850242773.db2.gz RVKZYZXIKHWXKN-UHFFFAOYSA-N 0 1 411.889 4.352 20 0 HIADMN O=C(c1cc(Cl)c2ccccc2c1O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000436929893 862108178 /nfs/dbraw/zinc/10/81/78/862108178.db2.gz WQMQUKCVDCRXFM-HSZRJFAPSA-N 0 1 413.876 4.405 20 0 HIADMN CCCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1OC ZINC000056161826 850264634 /nfs/dbraw/zinc/26/46/34/850264634.db2.gz JRDOYWNFPXZSCV-HOTGVXAUSA-N 0 1 413.518 4.120 20 0 HIADMN CCCOc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)Nc2ccccc2F)cc1OC ZINC000056161808 850264835 /nfs/dbraw/zinc/26/48/35/850264835.db2.gz HPCGRPLUSBEEHX-LSDHHAIUSA-N 0 1 417.481 4.011 20 0 HIADMN C[C@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccnc1Cl ZINC000056201323 850281365 /nfs/dbraw/zinc/28/13/65/850281365.db2.gz NRJVJJSMZWAOCA-HOTGVXAUSA-N 0 1 410.905 4.387 20 0 HIADMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC000056215980 850287669 /nfs/dbraw/zinc/28/76/69/850287669.db2.gz UJVUBYPYDUNZJS-IBGZPJMESA-N 0 1 403.526 4.154 20 0 HIADMN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000056406654 850350203 /nfs/dbraw/zinc/35/02/03/850350203.db2.gz CJDXJYOHEYWGRV-IBGZPJMESA-N 0 1 406.452 4.039 20 0 HIADMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1c(O)cccc1F)CC2 ZINC000436941334 862119309 /nfs/dbraw/zinc/11/93/09/862119309.db2.gz CWPJNSBRCPBJKE-OAQYLSRUSA-N 0 1 413.470 4.398 20 0 HIADMN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1c(O)cccc1F)CC2 ZINC000436941330 862119621 /nfs/dbraw/zinc/11/96/21/862119621.db2.gz CWPJNSBRCPBJKE-NRFANRHFSA-N 0 1 413.470 4.398 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCC(CCc2ccccc2)CC1 ZINC000056422043 850357451 /nfs/dbraw/zinc/35/74/51/850357451.db2.gz CONOBJSFLTYBLE-UHFFFAOYSA-N 0 1 406.574 4.100 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1cccc(F)c1 ZINC000056554144 850391412 /nfs/dbraw/zinc/39/14/12/850391412.db2.gz XRYZDHBVELFVCE-CTNGQTDRSA-N 0 1 415.509 4.198 20 0 HIADMN CN(CCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000056572655 850397706 /nfs/dbraw/zinc/39/77/06/850397706.db2.gz JXMDQXFIDIEWBV-UHFFFAOYSA-N 0 1 416.953 4.025 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1OC[C@H]1CCCCO1)c1ccsc1 ZINC000056624859 850419912 /nfs/dbraw/zinc/41/99/12/850419912.db2.gz HNDBBEKGHAUEBT-MJGOQNOKSA-N 0 1 403.548 4.120 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)Nc3cccc(Cl)c3OC)CC2)cc1 ZINC000056755640 850467896 /nfs/dbraw/zinc/46/78/96/850467896.db2.gz MIWWKJDJPDAEGP-UHFFFAOYSA-N 0 1 403.910 4.097 20 0 HIADMN C[C@H]1CCCCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 ZINC000436953958 862132769 /nfs/dbraw/zinc/13/27/69/862132769.db2.gz SZEMZDBFBBKFHT-AWEZNQCLSA-N 0 1 422.934 4.109 20 0 HIADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436956805 862135791 /nfs/dbraw/zinc/13/57/91/862135791.db2.gz UHMJBOQPVHGUKP-OAHLLOKOSA-N 0 1 409.368 4.271 20 0 HIADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000436956805 862135798 /nfs/dbraw/zinc/13/57/98/862135798.db2.gz UHMJBOQPVHGUKP-OAHLLOKOSA-N 0 1 409.368 4.271 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H]1c1cc(C)on1)N1CCCCC1 ZINC000056932551 850518379 /nfs/dbraw/zinc/51/83/79/850518379.db2.gz ZITFXESJUBERHP-RTWAWAEBSA-N 0 1 412.534 4.065 20 0 HIADMN O=C(NC1CC[NH+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1)c1ccsc1 ZINC000057106884 850549491 /nfs/dbraw/zinc/54/94/91/850549491.db2.gz DWQAWLRYPGECKB-UHFFFAOYSA-N 0 1 410.539 4.473 20 0 HIADMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000057121355 850552447 /nfs/dbraw/zinc/55/24/47/850552447.db2.gz NPCSXIARWRECQM-LLVKDONJSA-N 0 1 401.315 4.323 20 0 HIADMN COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000057152772 850562268 /nfs/dbraw/zinc/56/22/68/850562268.db2.gz FADPPRVFLLQZFX-FQEVSTJZSA-N 0 1 407.558 4.204 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc(C2SCCCS2)cc1 ZINC000057166817 850564689 /nfs/dbraw/zinc/56/46/89/850564689.db2.gz WKFDBRGKZRESHA-UHFFFAOYSA-N 0 1 413.612 4.345 20 0 HIADMN CN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000057168220 850566532 /nfs/dbraw/zinc/56/65/32/850566532.db2.gz OVHJBJYUTLJKHM-UHFFFAOYSA-N 0 1 418.925 4.202 20 0 HIADMN CN(Cc1csc(Br)c1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000057178685 850570916 /nfs/dbraw/zinc/57/09/16/850570916.db2.gz GWROEKMYIANASC-AWEZNQCLSA-N 0 1 412.353 4.082 20 0 HIADMN Cc1ccc(C)c(C(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c1 ZINC000057274238 850596418 /nfs/dbraw/zinc/59/64/18/850596418.db2.gz GXCBPIOCYAOCEL-UHFFFAOYSA-N 0 1 400.526 4.273 20 0 HIADMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)N1CCC[C@H]1CCc1ccccc1 ZINC000057306853 850605506 /nfs/dbraw/zinc/60/55/06/850605506.db2.gz DPDWBRBSOBNYPD-SFHVURJKSA-N 0 1 407.539 4.073 20 0 HIADMN CN1CCN(c2ccc(Br)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000057468778 850647115 /nfs/dbraw/zinc/64/71/15/850647115.db2.gz NKADDVCLXKIBGB-UHFFFAOYSA-N 0 1 408.727 4.107 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(Br)ccc4O)C3)[nH]c2c1 ZINC000436977974 862156249 /nfs/dbraw/zinc/15/62/49/862156249.db2.gz FWXQIQWAAIOCOT-CYBMUJFWSA-N 0 1 414.303 4.359 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(F)cc2Br)N(C)C)c1 ZINC000057757964 850709324 /nfs/dbraw/zinc/70/93/24/850709324.db2.gz XVZCSPDWJUGSOV-QGZVFWFLSA-N 0 1 410.287 4.021 20 0 HIADMN CN(C)[C@H](CNC(=O)CCSc1nc2ccccc2s1)c1cccc(F)c1 ZINC000057789246 850717219 /nfs/dbraw/zinc/71/72/19/850717219.db2.gz AYFZUJMGQSIGEE-QGZVFWFLSA-N 0 1 403.548 4.337 20 0 HIADMN COc1ccc([C@H](CNC(=O)N[C@@H](C)Cc2ccsc2)N2CCCCC2)cc1 ZINC000057792238 850717708 /nfs/dbraw/zinc/71/77/08/850717708.db2.gz 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C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000058318827 850800837 /nfs/dbraw/zinc/80/08/37/850800837.db2.gz VCRZBNPFXPAIOY-NWDGAFQWSA-N 0 1 420.296 4.221 20 0 HIADMN O=C(CSc1ccccc1)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000058379853 850812447 /nfs/dbraw/zinc/81/24/47/850812447.db2.gz NNYNMCQJGNFJMN-UHFFFAOYSA-N 0 1 422.528 4.419 20 0 HIADMN CCN(CC)[C@H](CNC(=O)CSc1nccn1-c1ccccc1C)c1ccco1 ZINC000058474590 850834447 /nfs/dbraw/zinc/83/44/47/850834447.db2.gz VCMPUHDNRNXLBI-LJQANCHMSA-N 0 1 412.559 4.065 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000058531641 850847585 /nfs/dbraw/zinc/84/75/85/850847585.db2.gz UNGDDGKKBAAGNO-UHFFFAOYSA-N 0 1 400.881 4.036 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccsc1 ZINC000058558756 850855577 /nfs/dbraw/zinc/85/55/77/850855577.db2.gz JONAVTPMNQMVGT-MSOLQXFVSA-N 0 1 409.502 4.329 20 0 HIADMN O=S(=O)(Cc1noc(-c2ccc(Cl)cc2O)n1)c1cc(Cl)ccc1Cl ZINC000437003204 862177895 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C[C@@H]1CN(C(=O)c2ccc(CNCc3cc(C(F)(F)F)ccc3F)cc2)C[C@H](C)O1 ZINC000237545588 854052411 /nfs/dbraw/zinc/05/24/11/854052411.db2.gz ZQMJUZWYVFRTBF-GASCZTMLSA-N 0 1 424.438 4.384 20 0 HIADMN C[C@@H]1CN(C(=O)c2ccc(CNCc3ccc(CSC(F)F)o3)cc2)C[C@H](C)O1 ZINC000237546912 854052445 /nfs/dbraw/zinc/05/24/45/854052445.db2.gz WARCLAIURSGTLB-GASCZTMLSA-N 0 1 424.513 4.275 20 0 HIADMN Cc1cc(Br)ccc1NC(=O)CCNCc1c(Cl)nc2ccccn21 ZINC000237560809 854054547 /nfs/dbraw/zinc/05/45/47/854054547.db2.gz RTMLPIFFYFWAAG-UHFFFAOYSA-N 0 1 421.726 4.177 20 0 HIADMN O=C1[C@@H](NCc2ccc(Oc3cc(F)cc(F)c3)cc2)CCN1CC(F)(F)F ZINC000237698409 854077904 /nfs/dbraw/zinc/07/79/04/854077904.db2.gz JWFWWXUCCDPPRY-KRWDZBQOSA-N 0 1 400.347 4.010 20 0 HIADMN Cc1ccc(-c2ccc(CNCc3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1 ZINC000237726399 854084026 /nfs/dbraw/zinc/08/40/26/854084026.db2.gz VUQMIJRKEXUCLV-UHFFFAOYSA-N 0 1 410.539 4.329 20 0 HIADMN O=C(Nc1cccc(CNCc2ccccc2N2CCOCC2)c1)c1cccc(F)c1 ZINC000237741976 854088113 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Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNC[C@@](C)(O)c1ccco1 ZINC000237809635 854102187 /nfs/dbraw/zinc/10/21/87/854102187.db2.gz ICJUMHMJDHWMBD-GOSISDBHSA-N 0 1 413.827 4.443 20 0 HIADMN O=C(Nc1cccc(CNCc2ccccc2N2CCOCC2)c1)c1ccc(F)cc1 ZINC000237820585 854103525 /nfs/dbraw/zinc/10/35/25/854103525.db2.gz HHMOYOCCLSFOQE-UHFFFAOYSA-N 0 1 419.500 4.204 20 0 HIADMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000237828196 854104059 /nfs/dbraw/zinc/10/40/59/854104059.db2.gz QGTZJMLLSTYPIA-IBGZPJMESA-N 0 1 410.301 4.065 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000237951662 854124552 /nfs/dbraw/zinc/12/45/52/854124552.db2.gz KANJYSDFDKCQAD-UHFFFAOYSA-N 0 1 421.520 4.438 20 0 HIADMN [O-]c1ccc(Br)cc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000238045738 854137454 /nfs/dbraw/zinc/13/74/54/854137454.db2.gz RNSNZAJTSMJXCM-UHFFFAOYSA-N 0 1 404.304 4.485 20 0 HIADMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000238077311 854141385 /nfs/dbraw/zinc/14/13/85/854141385.db2.gz XFIKQYSFQGCYPA-ZDUSSCGKSA-N 0 1 406.235 4.481 20 0 HIADMN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000248023561 854173659 /nfs/dbraw/zinc/17/36/59/854173659.db2.gz RWVLGYXDSYGMOH-OXQOHEQNSA-N 0 1 409.555 4.325 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)C2CCCCCC2)cc1 ZINC000248042587 854175422 /nfs/dbraw/zinc/17/54/22/854175422.db2.gz LMBUZRBMKGTRFS-UHFFFAOYSA-N 0 1 416.543 4.291 20 0 HIADMN COc1ccc([C@H]2CCCN2CC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000248186517 854184716 /nfs/dbraw/zinc/18/47/16/854184716.db2.gz HYJDNVHROOAGLV-PKTZIBPZSA-N 0 1 424.541 4.213 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)CCC(C)C)c1 ZINC000248267762 854188965 /nfs/dbraw/zinc/18/89/65/854188965.db2.gz OYCGPRCQNMJFGJ-MRXNPFEDSA-N 0 1 404.532 4.051 20 0 HIADMN CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(F)cc1 ZINC000249964513 854192520 /nfs/dbraw/zinc/19/25/20/854192520.db2.gz NJJSXAJCYXOLFJ-UTKZUKDTSA-N 0 1 412.505 4.344 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)cc2)C[C@H](C)O1 ZINC000251685286 854200021 /nfs/dbraw/zinc/20/00/21/854200021.db2.gz MTEJRIXRNIIZLJ-WOUAJJJCSA-N 0 1 412.496 4.281 20 0 HIADMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccc(F)cc1 ZINC000254743651 854214270 /nfs/dbraw/zinc/21/42/70/854214270.db2.gz AYCZBSLKUWKTMP-UHFFFAOYSA-N 0 1 407.268 4.400 20 0 HIADMN C/C=C/c1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c(OC)c1 ZINC000255941547 854225107 /nfs/dbraw/zinc/22/51/07/854225107.db2.gz SFYYJZCFWZNXAE-ZMTJCJBESA-N 0 1 424.541 4.069 20 0 HIADMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN(CCCO)[C@H]1CCc2ccccc21 ZINC000255961352 854231591 /nfs/dbraw/zinc/23/15/91/854231591.db2.gz YYIAQIJFSHZEMB-GCJKJVERSA-N 0 1 406.526 4.324 20 0 HIADMN COc1ccc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)cc1OC1CCCC1 ZINC000261378192 854239170 /nfs/dbraw/zinc/23/91/70/854239170.db2.gz AKYBYLSCLXXWCM-UHFFFAOYSA-N 0 1 423.557 4.016 20 0 HIADMN CCCC(=O)NC[C@@H]1CCCN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000261385035 854243190 /nfs/dbraw/zinc/24/31/90/854243190.db2.gz JJQYOWNXVWFFOP-GHTZIAJQSA-N 0 1 419.585 4.048 20 0 HIADMN CCN(C(=O)c1sc(-c2cnn(C)c2)nc1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261451298 854266481 /nfs/dbraw/zinc/26/64/81/854266481.db2.gz DQGXFVCYBGDPSX-PXNSSMCTSA-N 0 1 423.586 4.150 20 0 HIADMN CCN(C(=O)c1sc(-c2cnn(C)c2)nc1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000261451296 854266559 /nfs/dbraw/zinc/26/65/59/854266559.db2.gz DQGXFVCYBGDPSX-FXAWDEMLSA-N 0 1 423.586 4.150 20 0 HIADMN O=C(Cc1cccc2cccnc21)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261462462 854271081 /nfs/dbraw/zinc/27/10/81/854271081.db2.gz HGOZUKWOLCWQQS-FQEVSTJZSA-N 0 1 413.443 4.187 20 0 HIADMN FC(F)(F)c1nnc2ccc(NC[C@H](c3cccc(Cl)c3)N3CCCC3)nn21 ZINC000301091094 854293022 /nfs/dbraw/zinc/29/30/22/854293022.db2.gz ORYGFCGPNDNZGS-CQSZACIVSA-N 0 1 410.831 4.046 20 0 HIADMN COC(=O)c1sc(N2CCN(Cc3cccc4ccccc43)CC2)nc1Cl ZINC000301101053 854296119 /nfs/dbraw/zinc/29/61/19/854296119.db2.gz RIQAJRNTQYWSPF-UHFFFAOYSA-N 0 1 401.919 4.059 20 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HIADMN Cc1nc2sc3c(c2c(NCc2n[nH]c(COc4ccccc4)n2)n1)CCCC3 ZINC000302232124 854554371 /nfs/dbraw/zinc/55/43/71/854554371.db2.gz CNCHMXBNMRVMEU-UHFFFAOYSA-N 0 1 406.515 4.188 20 0 HIADMN CCN(c1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1)C(C)C ZINC000302609109 854591669 /nfs/dbraw/zinc/59/16/69/854591669.db2.gz XUXVGXGQWPMNPL-IBGZPJMESA-N 0 1 420.561 4.134 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)n[nH]2)N2CCCCC2)cc1 ZINC000302792105 854634743 /nfs/dbraw/zinc/63/47/43/854634743.db2.gz JEYQVJDUBXPVOW-HSZRJFAPSA-N 0 1 404.514 4.042 20 0 HIADMN COc1ccc([C@H](C)N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1Br ZINC000302804374 854639213 /nfs/dbraw/zinc/63/92/13/854639213.db2.gz JNNHRXPQOJJKOF-ILXRZTDVSA-N 0 1 417.347 4.475 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@H]2c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000302806045 854640589 /nfs/dbraw/zinc/64/05/89/854640589.db2.gz BCVUUUXRBNTSPL-BJKOFHAPSA-N 0 1 423.557 4.387 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000302806047 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Cn1c2ccccc2cc(CN[C@H]2CCCOc3cc(Br)ccc32)c1=O ZINC000426337301 856250786 /nfs/dbraw/zinc/25/07/86/856250786.db2.gz ZEFSDZXXXKFRIF-SFHVURJKSA-N 0 1 413.315 4.305 20 0 HIADMN Cc1cc(CN[C@@H](c2ccc(Br)s2)C2CC2)nc(N2CCCC2)n1 ZINC000426334071 856251031 /nfs/dbraw/zinc/25/10/31/856251031.db2.gz WRYQMOMMWAVVRA-QGZVFWFLSA-N 0 1 407.381 4.450 20 0 HIADMN COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000426369128 856261898 /nfs/dbraw/zinc/26/18/98/856261898.db2.gz DGJMLFKYWXZQDY-UHFFFAOYSA-N 0 1 411.521 4.447 20 0 HIADMN COc1cccc(-c2nn(C(C)(C)C)cc2CN(CCO)Cc2cccc(F)c2)c1 ZINC000426369128 856261904 /nfs/dbraw/zinc/26/19/04/856261904.db2.gz DGJMLFKYWXZQDY-UHFFFAOYSA-N 0 1 411.521 4.447 20 0 HIADMN COCCN(Cc1ccc(Br)s1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000426400275 856275890 /nfs/dbraw/zinc/27/58/90/856275890.db2.gz CKGBQTKXWQCFSB-UHFFFAOYSA-N 0 1 421.364 4.048 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3CC[C@H](c4ccccc4)[C@@H](C)C3)cs2)c1C ZINC000426446827 856294494 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CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCc3ccc(Cl)cc3F)c2C1 ZINC000427091789 856630907 /nfs/dbraw/zinc/63/09/07/856630907.db2.gz GAMRQKIOHYYEBP-AWEZNQCLSA-N 0 1 417.912 4.094 20 0 HIADMN COc1cccc(N2CC[C@H](CNC(=O)c3cn[nH]c3-c3ccc(Cl)s3)C2)c1 ZINC000427124964 856653122 /nfs/dbraw/zinc/65/31/22/856653122.db2.gz XYVQHKUQLFTELC-CYBMUJFWSA-N 0 1 416.934 4.057 20 0 HIADMN CC(C)c1nc(C[S@@](=O)[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)n[nH]1 ZINC000427187343 856700407 /nfs/dbraw/zinc/70/04/07/856700407.db2.gz QNJMWJKORPDPSY-CLQGZBHWSA-N 0 1 413.425 4.007 20 0 HIADMN CCN(CCNC(=O)c1occc1CN1c2ccccc2C[C@@H]1C)CCC(F)(F)F ZINC000427202111 856709328 /nfs/dbraw/zinc/70/93/28/856709328.db2.gz DYOLZMKMGRQKIL-INIZCTEOSA-N 0 1 423.479 4.235 20 0 HIADMN CCN(CCNC(=O)c1cccc(NC(=O)c2cccs2)c1)CCC(F)(F)F ZINC000427246506 856734121 /nfs/dbraw/zinc/73/41/21/856734121.db2.gz QJCUDGJRRLOFRL-UHFFFAOYSA-N 0 1 413.465 4.005 20 0 HIADMN CCn1cc(-c2n[nH]cc2C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cn1 ZINC000427254879 856739311 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CC(=O)N1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)c2ccccc21 ZINC000427636445 856893417 /nfs/dbraw/zinc/89/34/17/856893417.db2.gz BMKLMFRHJDDEGG-CQSZACIVSA-N 0 1 400.891 4.019 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)[nH]n2)c(C)c1 ZINC000427650616 856897646 /nfs/dbraw/zinc/89/76/46/856897646.db2.gz JCWSEKYZEPPSOJ-UHFFFAOYSA-N 0 1 409.453 4.075 20 0 HIADMN O=C([C@H](Cc1ccccc1)N[C@H]1CCCc2ncc(C(F)(F)F)cc21)N1CCCC1 ZINC000427713473 856920309 /nfs/dbraw/zinc/92/03/09/856920309.db2.gz HMWJRDVBOPLDJE-SFTDATJTSA-N 0 1 417.475 4.301 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc(N2CCNC2=O)ccc1F ZINC000427781798 856951958 /nfs/dbraw/zinc/95/19/58/856951958.db2.gz CCRBPFYDMBXTSS-UHFFFAOYSA-N 0 1 415.428 4.151 20 0 HIADMN Cn1cc(-c2nc(C(=O)Nc3ccc4nc(-c5ccccc5)[nH]c4c3)cs2)cn1 ZINC000427793025 856956752 /nfs/dbraw/zinc/95/67/52/856956752.db2.gz MQWCJIOUTJORDF-UHFFFAOYSA-N 0 1 400.467 4.339 20 0 HIADMN Cc1nnc(SCCC(=O)N[C@H](Cc2ccccc2C(F)(F)F)C(C)(C)C)[nH]1 ZINC000427805129 856962478 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ZINC000427987187 857034224 /nfs/dbraw/zinc/03/42/24/857034224.db2.gz ARNIOLHBFNMBPO-HXUWFJFHSA-N 0 1 420.553 4.028 20 0 HIADMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCc3nc4cccc(C)c4[nH]3)cc2)n1 ZINC000428015851 857042517 /nfs/dbraw/zinc/04/25/17/857042517.db2.gz ULXSGFFGQPHWNR-SFHVURJKSA-N 0 1 401.514 4.484 20 0 HIADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1 ZINC000428016605 857042567 /nfs/dbraw/zinc/04/25/67/857042567.db2.gz JIXJSXPCKADNRH-UHFFFAOYSA-N 0 1 403.339 4.467 20 0 HIADMN COc1ccc2c(c1OC)CCN(C(=O)c1cn[nH]c1-c1ccc(Cl)s1)C2 ZINC000428021792 857045853 /nfs/dbraw/zinc/04/58/53/857045853.db2.gz OPTUFUKWTLMIRQ-UHFFFAOYSA-N 0 1 403.891 4.007 20 0 HIADMN O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc(F)cc2[nH]cnc21 ZINC000428024659 857046803 /nfs/dbraw/zinc/04/68/03/857046803.db2.gz OXMUWFPPEFAVIY-UHFFFAOYSA-N 0 1 407.302 4.298 20 0 HIADMN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000428023891 857047178 /nfs/dbraw/zinc/04/71/78/857047178.db2.gz MMKCTXFYVAAQEV-DYVFJYSZSA-N 0 1 409.845 4.330 20 0 HIADMN CC(C)(C)OC(=O)C1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000428034059 857050295 /nfs/dbraw/zinc/05/02/95/857050295.db2.gz RGFBOVBQAMQLIO-UHFFFAOYSA-N 0 1 409.939 4.422 20 0 HIADMN COCCCOc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000428046402 857053797 /nfs/dbraw/zinc/05/37/97/857053797.db2.gz AOUQEDOXBQMHML-UHFFFAOYSA-N 0 1 402.454 4.293 20 0 HIADMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000428049934 857056116 /nfs/dbraw/zinc/05/61/16/857056116.db2.gz QKXDMMBIXJPROB-UHFFFAOYSA-N 0 1 414.799 4.397 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cnc3c(F)cccc3c2)cc1 ZINC000428157010 857089765 /nfs/dbraw/zinc/08/97/65/857089765.db2.gz AUWULSBHKMYDFR-UHFFFAOYSA-N 0 1 420.488 4.441 20 0 HIADMN Cc1cnc([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)s1 ZINC000428277576 857138183 /nfs/dbraw/zinc/13/81/83/857138183.db2.gz RNRPIMZFXRZNET-CJNGLKHVSA-N 0 1 412.481 4.105 20 0 HIADMN COC(=O)C12CCC(C(=O)N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)(CC1)C2 ZINC000428499955 857228131 /nfs/dbraw/zinc/22/81/31/857228131.db2.gz POCKXYDVVNBNDR-YMTQGWHGSA-N 0 1 401.894 4.003 20 0 HIADMN CCCOc1ccc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)c(OCCC)c1 ZINC000428623803 857281394 /nfs/dbraw/zinc/28/13/94/857281394.db2.gz TVBOZBPFSHVCPM-UHFFFAOYSA-N 0 1 411.502 4.436 20 0 HIADMN Cc1noc(C[C@@H](NCc2cc(Br)cc3c2OCC3)c2ccccc2)n1 ZINC000428642903 857286571 /nfs/dbraw/zinc/28/65/71/857286571.db2.gz PDGULABDRNIIIF-GOSISDBHSA-N 0 1 414.303 4.149 20 0 HIADMN Cc1noc(C[C@@H](NCc2ccc(OCc3ccccn3)cc2)c2ccccc2)n1 ZINC000428641042 857286592 /nfs/dbraw/zinc/28/65/92/857286592.db2.gz LFOIHIGGTNYUCA-HSZRJFAPSA-N 0 1 400.482 4.426 20 0 HIADMN Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCC(c3ccc(F)cc3C)CC2)n[nH]1 ZINC000428730598 857312644 /nfs/dbraw/zinc/31/26/44/857312644.db2.gz WSJRFZMEPWJAES-UHFFFAOYSA-N 0 1 421.520 4.354 20 0 HIADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000428776363 857332258 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HIADMN C[C@H](Oc1ccccc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000428896625 857398028 /nfs/dbraw/zinc/39/80/28/857398028.db2.gz NSPJBXOLGILXDY-VQTJNVASSA-N 0 1 409.530 4.013 20 0 HIADMN O=C(Nc1cccc(CCCc2ccccc2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000429058010 857483223 /nfs/dbraw/zinc/48/32/23/857483223.db2.gz DSXGGCHCOKNSOH-HSZRJFAPSA-N 0 1 407.558 4.048 20 0 HIADMN C[C@@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)[C@H]1OCCc2sccc21 ZINC000429130628 857524434 /nfs/dbraw/zinc/52/44/34/857524434.db2.gz HQVDHGUXYMMEAP-VTJXTGGHSA-N 0 1 402.585 4.258 20 0 HIADMN COc1ccc(CN[C@H](C)[C@@H]2OCCc3sccc32)c(Br)c1OC ZINC000429152125 857532532 /nfs/dbraw/zinc/53/25/32/857532532.db2.gz QQQJBQDKFFFXIP-DIFFPNOSSA-N 0 1 412.349 4.320 20 0 HIADMN C[C@H](NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1OCCc2sccc21 ZINC000429156458 857534408 /nfs/dbraw/zinc/53/44/08/857534408.db2.gz FIHDGYZWZHNRHM-BTYIYWSLSA-N 0 1 404.551 4.306 20 0 HIADMN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000429165071 857537039 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0 HIADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C(=O)N1CC[C@H]1c1ccccc1 ZINC000438108793 863523134 /nfs/dbraw/zinc/52/31/34/863523134.db2.gz LEBVBSYVECQAOX-NRFANRHFSA-N 0 1 423.476 4.051 20 0 HIADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)N1CC[C@H]1c1ccccc1 ZINC000438108793 863523153 /nfs/dbraw/zinc/52/31/53/863523153.db2.gz LEBVBSYVECQAOX-NRFANRHFSA-N 0 1 423.476 4.051 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000438195051 863622102 /nfs/dbraw/zinc/62/21/02/863622102.db2.gz YUEMMHKHHAANID-NSISKUIASA-N 0 1 403.473 4.330 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H]3CCCc4sccc43)c2C1 ZINC000467842794 881682690 /nfs/dbraw/zinc/68/26/90/881682690.db2.gz FJCKJTJFCDAURN-BEFAXECRSA-N 0 1 411.571 4.241 20 0 HIADMN COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000438263733 863731525 /nfs/dbraw/zinc/73/15/25/863731525.db2.gz WUVNGMMTCHPBPP-XOBRGWDASA-N 0 1 413.905 4.494 20 0 HIADMN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc3c2CN(CC(C)C)C3)C(C)C)cc1 ZINC000438349903 863817733 /nfs/dbraw/zinc/81/77/33/863817733.db2.gz QTMZMXWVALQXMZ-HSZRJFAPSA-N 0 1 407.558 4.360 20 0 HIADMN CCC(CC)n1nc(C)cc1C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438426243 863860643 /nfs/dbraw/zinc/86/06/43/863860643.db2.gz YRISEFFLGQAMKJ-QGZVFWFLSA-N 0 1 420.439 4.209 20 0 HIADMN CC(C)c1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000438450045 863875262 /nfs/dbraw/zinc/87/52/62/863875262.db2.gz ZHPZRCLWNAQIQP-KRWDZBQOSA-N 0 1 404.392 4.172 20 0 HIADMN CC(C)COc1cccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000438450568 863875335 /nfs/dbraw/zinc/87/53/35/863875335.db2.gz FTVJYMPZZXDLCK-SFHVURJKSA-N 0 1 418.419 4.378 20 0 HIADMN CCOc1ccccc1CCC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438455683 863879942 /nfs/dbraw/zinc/87/99/42/863879942.db2.gz BBQSLXWULJSBBW-IBGZPJMESA-N 0 1 418.419 4.061 20 0 HIADMN COC(=O)C(C)(C)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000438465439 863887342 /nfs/dbraw/zinc/88/73/42/863887342.db2.gz BEJKWIKQYLOPGN-IBGZPJMESA-N 0 1 413.518 4.079 20 0 HIADMN COc1ccc2c(c1)CN(Cc1cc(=O)n3ccsc3n1)[C@H](C1CCCCC1)C2 ZINC000438483754 863899582 /nfs/dbraw/zinc/89/95/82/863899582.db2.gz FNMVSJQKRJSOFO-NRFANRHFSA-N 0 1 409.555 4.272 20 0 HIADMN C[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438484390 863899623 /nfs/dbraw/zinc/89/96/23/863899623.db2.gz IJTDZZVXQZLMGA-SFHVURJKSA-N 0 1 402.336 4.400 20 0 HIADMN CN(Cc1ccc(N2CCCC2)nc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438484390 863899624 /nfs/dbraw/zinc/89/96/24/863899624.db2.gz IJTDZZVXQZLMGA-SFHVURJKSA-N 0 1 402.336 4.400 20 0 HIADMN O=C(Nc1ccnc(Oc2ccccc2)c1)NC1CCN(Cc2ccccn2)CC1 ZINC000438495161 863915315 /nfs/dbraw/zinc/91/53/15/863915315.db2.gz GKZLIIQIWJKXJH-UHFFFAOYSA-N 0 1 403.486 4.055 20 0 HIADMN COc1ccc2oc([C@@H](C)N[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)c(C)c2c1 ZINC000467868568 881724973 /nfs/dbraw/zinc/72/49/73/881724973.db2.gz SZCSHQGOENZPGZ-HZPDHXFCSA-N 0 1 416.543 4.412 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000438652093 864093104 /nfs/dbraw/zinc/09/31/04/864093104.db2.gz UOXQORGIPSVBQR-NRFANRHFSA-N 0 1 410.562 4.418 20 0 HIADMN CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000438655882 864099521 /nfs/dbraw/zinc/09/95/21/864099521.db2.gz MBESWAZTWMDSTP-NQIIRXRSSA-N 0 1 402.583 4.270 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCCC[C@H]1[C@H](C)CC ZINC000438659603 864106584 /nfs/dbraw/zinc/10/65/84/864106584.db2.gz ZNKIKVZOCDIILS-NQIIRXRSSA-N 0 1 402.583 4.270 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000438666070 864118205 /nfs/dbraw/zinc/11/82/05/864118205.db2.gz SOTXYQHILFTTJU-IBGZPJMESA-N 0 1 410.562 4.071 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1C1CCCC1 ZINC000438667926 864125216 /nfs/dbraw/zinc/12/52/16/864125216.db2.gz VNVGNGJWQIOLPL-NRFANRHFSA-N 0 1 400.567 4.024 20 0 HIADMN CC[C@H](CC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1ccc(C)cc1 ZINC000438688692 864154874 /nfs/dbraw/zinc/15/48/74/864154874.db2.gz AAUPZBWIMBOYDQ-QGZVFWFLSA-N 0 1 424.526 4.108 20 0 HIADMN O=S(=O)(Nc1cccc(Oc2ccccn2)c1)c1cc2c(cc1Cl)OCCO2 ZINC000438722644 864204796 /nfs/dbraw/zinc/20/47/96/864204796.db2.gz IVNDIZYNVVBBKB-UHFFFAOYSA-N 0 1 418.858 4.099 20 0 HIADMN CC(C)(C)Oc1ccc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000438774988 864269582 /nfs/dbraw/zinc/26/95/82/864269582.db2.gz PMPCVSCVGBNULX-UHFFFAOYSA-N 0 1 402.401 4.255 20 0 HIADMN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCC(=O)N1CCC[C@@H]1C)CC2 ZINC000438781132 864274950 /nfs/dbraw/zinc/27/49/50/864274950.db2.gz JVMMWJFBNFWSES-HJPURHCSSA-N 0 1 414.571 4.114 20 0 HIADMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2o1 ZINC000438797772 864289450 /nfs/dbraw/zinc/28/94/50/864289450.db2.gz VDBCFAJXTBHHEF-UHFFFAOYSA-N 0 1 412.854 4.147 20 0 HIADMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)cc2o1 ZINC000438803418 864294476 /nfs/dbraw/zinc/29/44/76/864294476.db2.gz SSMZUNALIDFJAW-UHFFFAOYSA-N 0 1 416.842 4.368 20 0 HIADMN C[C@H](c1nc(-c2cccc(N3CCC3=O)c2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000438822715 864316677 /nfs/dbraw/zinc/31/66/77/864316677.db2.gz WQFAQWGITBTEFR-GOSISDBHSA-N 0 1 416.525 4.489 20 0 HIADMN C[C@H](NC(=O)N[C@@H]1CCCc2sccc21)c1cc(F)ccc1N1CCN(C)CC1 ZINC000467890169 881751782 /nfs/dbraw/zinc/75/17/82/881751782.db2.gz SLLNTBXKTUBXIZ-HNAYVOBHSA-N 0 1 416.566 4.077 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000438841231 864335665 /nfs/dbraw/zinc/33/56/65/864335665.db2.gz KSMSGXHAMAZQTM-VEXUSMLFSA-N 0 1 422.573 4.044 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000438863913 864356794 /nfs/dbraw/zinc/35/67/94/864356794.db2.gz XFMHPIUPNBBCOY-FPOVZHCZSA-N 0 1 419.997 4.010 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000438867169 864361056 /nfs/dbraw/zinc/36/10/56/864361056.db2.gz XMAOGUHQHZVTBN-FOIQADDNSA-N 0 1 414.550 4.282 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCCSc2ccc(F)cc2)CC1 ZINC000438960138 864428634 /nfs/dbraw/zinc/42/86/34/864428634.db2.gz BAUXBOSJHQOJDZ-QGZVFWFLSA-N 0 1 416.566 4.228 20 0 HIADMN COc1ccc([C@@H](NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000438959706 864428670 /nfs/dbraw/zinc/42/86/70/864428670.db2.gz MPVUMZOOBHPVBP-SBUREZEXSA-N 0 1 408.546 4.066 20 0 HIADMN Cc1[nH]c(SCC(=O)N2CCc3c(F)ccc(F)c3C2)nc1Cc1ccccc1 ZINC000438973214 864438557 /nfs/dbraw/zinc/43/85/57/864438557.db2.gz KDAWLNYWGIPQPJ-UHFFFAOYSA-N 0 1 413.493 4.264 20 0 HIADMN CCCCOc1cccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000438974629 864440238 /nfs/dbraw/zinc/44/02/38/864440238.db2.gz MNUKYONQWSMFAN-LJQANCHMSA-N 0 1 410.562 4.285 20 0 HIADMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(F)F)C3)c(Cl)cc1F ZINC000438985864 864447373 /nfs/dbraw/zinc/44/73/73/864447373.db2.gz JYIAOLZYSRIGHF-UHFFFAOYSA-N 0 1 404.841 4.169 20 0 HIADMN O=C(Cc1nc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cs1)Nc1ccccc1 ZINC000438991684 864450102 /nfs/dbraw/zinc/45/01/02/864450102.db2.gz DQQFXFOZUHDAJD-NJDAHSKKSA-N 0 1 413.587 4.230 20 0 HIADMN COc1ccc(CN[C@@H](C)c2ccc(NC(C)=O)cc2OC)cc1Br ZINC000438993679 864451706 /nfs/dbraw/zinc/45/17/06/864451706.db2.gz CHAQJHBSATUWNW-LBPRGKRZSA-N 0 1 407.308 4.276 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3ccc(NC(C)=O)cc3OC)ccc2NC1=O ZINC000439003409 864456329 /nfs/dbraw/zinc/45/63/29/864456329.db2.gz RWEBJUMIMBXEHQ-MNVSYLFESA-N 0 1 411.502 4.175 20 0 HIADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000439012592 864463789 /nfs/dbraw/zinc/46/37/89/864463789.db2.gz UYVXTSCOCRBOTL-SFHVURJKSA-N 0 1 405.458 4.478 20 0 HIADMN O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000439013958 864464876 /nfs/dbraw/zinc/46/48/76/864464876.db2.gz FIZXHBJLHJLDFV-KBAYOESNSA-N 0 1 420.351 4.405 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)[C@@H](C)C2(C)CC2)c1 ZINC000439018230 864470332 /nfs/dbraw/zinc/47/03/32/864470332.db2.gz FIRPEBFDSIVZSC-INIZCTEOSA-N 0 1 416.543 4.065 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)C2(C)CC2)ccc1C ZINC000439026299 864481187 /nfs/dbraw/zinc/48/11/87/864481187.db2.gz ZVWBOWQQPQXTFJ-MRXNPFEDSA-N 0 1 416.543 4.065 20 0 HIADMN Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 ZINC000439048960 864500119 /nfs/dbraw/zinc/50/01/19/864500119.db2.gz GIJNCWISLVVJSG-HNNXBMFYSA-N 0 1 416.456 4.434 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CCC([C@@H]3CCCO3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000439053382 864504983 /nfs/dbraw/zinc/50/49/83/864504983.db2.gz WLJJDXMKORIYGS-QMMLZNLJSA-N 0 1 423.960 4.073 20 0 HIADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cc(N2CCCC2=O)ccc1F ZINC000439062741 864514409 /nfs/dbraw/zinc/51/44/09/864514409.db2.gz BJCMBJAYPYJVCH-UHFFFAOYSA-N 0 1 415.428 4.143 20 0 HIADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccnc(OCC(F)(F)F)c1 ZINC000439064109 864515172 /nfs/dbraw/zinc/51/51/72/864515172.db2.gz CRFNOPSPSUWGKA-UHFFFAOYSA-N 0 1 413.359 4.213 20 0 HIADMN Cc1ccc(Br)cc1CN[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000439139460 864571924 /nfs/dbraw/zinc/57/19/24/864571924.db2.gz IHZUOWQKQJSFPU-LBPRGKRZSA-N 0 1 400.313 4.151 20 0 HIADMN Cc1cc(N2CCC(N[C@H](c3ccco3)c3ccc(Br)cc3)CC2)n[nH]1 ZINC000439141761 864573991 /nfs/dbraw/zinc/57/39/91/864573991.db2.gz MNBXHNQVXBSCNF-FQEVSTJZSA-N 0 1 415.335 4.422 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1Cl ZINC000439144873 864576341 /nfs/dbraw/zinc/57/63/41/864576341.db2.gz IJQLUSJIFFKZTJ-NRFANRHFSA-N 0 1 413.949 4.045 20 0 HIADMN O=C(NC1CC1)c1cccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000439162633 864593570 /nfs/dbraw/zinc/59/35/70/864593570.db2.gz FCMRJEUBEKFCKY-LJQANCHMSA-N 0 1 408.889 4.086 20 0 HIADMN C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)CO1 ZINC000439162595 864593908 /nfs/dbraw/zinc/59/39/08/864593908.db2.gz DVHVVYBNEWJTDF-WCQYABFASA-N 0 1 400.276 4.356 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cscc2C)cc1 ZINC000439175250 864602771 /nfs/dbraw/zinc/60/27/71/864602771.db2.gz FTSHFAVVVXYRAB-UHFFFAOYSA-N 0 1 402.497 4.118 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000439191244 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ZINC000439413934 864823487 /nfs/dbraw/zinc/82/34/87/864823487.db2.gz VGCQKFXCIHNREL-HXUWFJFHSA-N 0 1 409.534 4.020 20 0 HIADMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000467933244 881806160 /nfs/dbraw/zinc/80/61/60/881806160.db2.gz JGHWETSERMYCSC-UHFFFAOYSA-N 0 1 423.288 4.222 20 0 HIADMN Cc1ccc(-c2nnc(CN[C@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000439435745 864830609 /nfs/dbraw/zinc/83/06/09/864830609.db2.gz VPELDLCADWSSJD-KRWDZBQOSA-N 0 1 414.391 4.061 20 0 HIADMN Cc1cccc(Cl)c1NC(=O)CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439438084 864831578 /nfs/dbraw/zinc/83/15/78/864831578.db2.gz KPSRZWUQGUHQAI-QGZVFWFLSA-N 0 1 423.826 4.103 20 0 HIADMN Clc1cccc(Cl)c1-c1nnc(CN[C@@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000439437503 864831658 /nfs/dbraw/zinc/83/16/58/864831658.db2.gz JONCSBIECRKPHJ-MRXNPFEDSA-N 0 1 401.257 4.041 20 0 HIADMN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000439446067 864834452 /nfs/dbraw/zinc/83/44/52/864834452.db2.gz 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N(C)CCCOCc1ccccc1 ZINC000439488140 864849337 /nfs/dbraw/zinc/84/93/37/864849337.db2.gz YHEDFWPIZRUXEL-NRFANRHFSA-N 0 1 420.557 4.355 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000439493345 864852117 /nfs/dbraw/zinc/85/21/17/864852117.db2.gz NZVUSQZYQCKALK-CYBMUJFWSA-N 0 1 421.314 4.330 20 0 HIADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000467941820 881812604 /nfs/dbraw/zinc/81/26/04/881812604.db2.gz MDTBJQQGZXUCOT-UHFFFAOYSA-N 0 1 402.498 4.025 20 0 HIADMN O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cnc2ccsc2c1 ZINC000439567692 864891121 /nfs/dbraw/zinc/89/11/21/864891121.db2.gz GELQXIQWJRHUHZ-UHFFFAOYSA-N 0 1 406.539 4.100 20 0 HIADMN CCOc1ccc(C2(CN[C@@H](C)c3nc(Cc4ccccc4)no3)CCOCC2)cc1 ZINC000439572388 864894738 /nfs/dbraw/zinc/89/47/38/864894738.db2.gz MVLSDJKJVBYKLG-IBGZPJMESA-N 0 1 421.541 4.458 20 0 HIADMN Cn1cc(N2CCC[C@H](N[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)cn1 ZINC000439628954 864954635 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HIADMN COc1ccc(-c2nc(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)cs2)cc1 ZINC000439730673 865062933 /nfs/dbraw/zinc/06/29/33/865062933.db2.gz KNOXPHUYOMKGSY-INIZCTEOSA-N 0 1 422.554 4.169 20 0 HIADMN Cc1c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cnn1-c1cc(C)ccc1C ZINC000439751466 865081160 /nfs/dbraw/zinc/08/11/60/865081160.db2.gz XZMOYRQQEWUBCA-LJQANCHMSA-N 0 1 417.557 4.148 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c(F)cc(Br)cc2F)CC1 ZINC000439766246 865091927 /nfs/dbraw/zinc/09/19/27/865091927.db2.gz HDSVKXISJAHWJW-LBPRGKRZSA-N 0 1 424.289 4.078 20 0 HIADMN COc1cccc([C@H](C)CC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000439884735 865196582 /nfs/dbraw/zinc/19/65/82/865196582.db2.gz WYIYAWNUWQCHPZ-AQNXPRMDSA-N 0 1 410.558 4.114 20 0 HIADMN CCC[C@@H]1CN(C(=O)Nc2cnn(CC)c2C(F)(F)F)CCN1Cc1ccccc1 ZINC000439890493 865203259 /nfs/dbraw/zinc/20/32/59/865203259.db2.gz NEUWOEBXDBGZDJ-QGZVFWFLSA-N 0 1 423.483 4.440 20 0 HIADMN CSc1ccc(CNC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000439916744 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HIADMN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440285383 865535692 /nfs/dbraw/zinc/53/56/92/865535692.db2.gz UHRVUEIJGCVERJ-UHFFFAOYSA-N 0 1 402.903 4.304 20 0 HIADMN C[C@@H](CC(=O)NCCc1nnc(-c2ccccc2)[nH]1)c1ccc(Br)cc1 ZINC000440314096 865581985 /nfs/dbraw/zinc/58/19/85/865581985.db2.gz QKNUMMVZYRPTLK-AWEZNQCLSA-N 0 1 413.319 4.087 20 0 HIADMN Cn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000440396785 865687870 /nfs/dbraw/zinc/68/78/70/865687870.db2.gz GGRPZGWSDAKUJZ-REWPJTCUSA-N 0 1 402.542 4.294 20 0 HIADMN OC[C@@]1(NCc2cccc(Br)c2OC(F)F)CCCc2ccccc21 ZINC000440476086 865779989 /nfs/dbraw/zinc/77/99/89/865779989.db2.gz VFKNMCKEBDHICO-IBGZPJMESA-N 0 1 412.274 4.364 20 0 HIADMN C[C@](NCCc1cccc(OC(F)(F)F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000440552605 865817163 /nfs/dbraw/zinc/81/71/63/865817163.db2.gz FNGFUTUWOXUSBP-QGZVFWFLSA-N 0 1 420.353 4.137 20 0 HIADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1SC ZINC000440625163 865844942 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ZTQAGJVEDIPWOG-PNCHPQGNSA-N 0 1 409.555 4.369 20 0 HIADMN O=S(=O)(Nc1noc(-c2ccccc2)c1Br)c1cc(F)ccc1F ZINC000448539402 872540260 /nfs/dbraw/zinc/54/02/60/872540260.db2.gz VBFQIKFAVARHHZ-UHFFFAOYSA-N 0 1 415.215 4.183 20 0 HIADMN CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000460113944 872580561 /nfs/dbraw/zinc/58/05/61/872580561.db2.gz TUJBPHVHPVIZPP-CTNGQTDRSA-N 0 1 417.594 4.211 20 0 HIADMN O=C(NCc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000460127532 872604539 /nfs/dbraw/zinc/60/45/39/872604539.db2.gz GNKQKPIOHWJYDG-KRWDZBQOSA-N 0 1 412.877 4.034 20 0 HIADMN CC1=CCN(CCNC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000460213714 872798484 /nfs/dbraw/zinc/79/84/84/872798484.db2.gz FPFMBAXHRFPDDN-OAQYLSRUSA-N 0 1 411.525 4.104 20 0 HIADMN CCOC(=O)[C@H](C)[C@H](C)N[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000460356669 872981479 /nfs/dbraw/zinc/98/14/79/872981479.db2.gz CMQJCXKOIGCNKG-SIFCLUCFSA-N 0 1 418.921 4.206 20 0 HIADMN Cc1ccc(CNCc2ccccc2OCC(F)(F)F)c(-n2cc(Cl)cn2)n1 ZINC000468590678 882675615 /nfs/dbraw/zinc/67/56/15/882675615.db2.gz NBYISZSIBXMCRI-UHFFFAOYSA-N 0 1 410.827 4.460 20 0 HIADMN Cc1cccc(NC(=O)CN(C)Cc2nc3ccc(Br)cc3[nH]2)c1C ZINC000460378662 873018724 /nfs/dbraw/zinc/01/87/24/873018724.db2.gz ZBBTVNWFACCCQT-UHFFFAOYSA-N 0 1 401.308 4.013 20 0 HIADMN CCCN(CCc1cccs1)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000468592931 882679970 /nfs/dbraw/zinc/67/99/70/882679970.db2.gz YCQZVTQHMTZKGN-UHFFFAOYSA-N 0 1 400.573 4.415 20 0 HIADMN COc1ccc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c(OC)c1 ZINC000460451095 873124683 /nfs/dbraw/zinc/12/46/83/873124683.db2.gz CECOGWGUCLSQPE-UHFFFAOYSA-N 0 1 423.437 4.302 20 0 HIADMN CCCC[C@@H](C)N(C)C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000460538255 873237429 /nfs/dbraw/zinc/23/74/29/873237429.db2.gz RCBMJNWTPZGICV-MRXNPFEDSA-N 0 1 414.516 4.177 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000460554521 873269850 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HIADMN CCc1nc(C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)nn1-c1ccccc1Cl ZINC000461106898 874029577 /nfs/dbraw/zinc/02/95/77/874029577.db2.gz HQKNPPNDDCVIDF-UHFFFAOYSA-N 0 1 422.794 4.355 20 0 HIADMN O=S(=O)([N-]c1cccc(C[NH+]2CCSCC2)c1)c1ccc(C(F)(F)F)s1 ZINC000461112015 874034313 /nfs/dbraw/zinc/03/43/13/874034313.db2.gz VHPIOUDGHAWQPX-UHFFFAOYSA-N 0 1 422.519 4.117 20 0 HIADMN CN1CCC(N(c2cccc(F)c2)S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000461114832 874038725 /nfs/dbraw/zinc/03/87/25/874038725.db2.gz QYEWCWIFYADHNP-UHFFFAOYSA-N 0 1 422.469 4.196 20 0 HIADMN CCN(CC)[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)c1ccccc1 ZINC000461179092 874162120 /nfs/dbraw/zinc/16/21/20/874162120.db2.gz LCPUFYRDYJXTNG-JOCHJYFZSA-N 0 1 402.498 4.356 20 0 HIADMN COc1ccc(-n2c(NC(=O)c3cc(=O)c4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000461238860 874238645 /nfs/dbraw/zinc/23/86/45/874238645.db2.gz DUJFEEKFKMLKFW-UHFFFAOYSA-N 0 1 410.433 4.128 20 0 HIADMN CC(C)[C@H](NC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000468689151 882812860 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COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(C(C)C)CC2)c1 ZINC000461429048 874466903 /nfs/dbraw/zinc/46/69/03/874466903.db2.gz YYVFCLCRMNAJBP-UHFFFAOYSA-N 0 1 416.543 4.004 20 0 HIADMN FC(F)(F)c1cc(Sc2nc(-c3ccccc3)n[nH]2)nc(-c2ccncc2)n1 ZINC000461449403 874508237 /nfs/dbraw/zinc/50/82/37/874508237.db2.gz XTBPFAHXJUHFNQ-UHFFFAOYSA-N 0 1 400.389 4.494 20 0 HIADMN C[C@@H]1CN(Cc2ccccc2)CCN1c1nnc(-c2ccc[nH]2)n1Cc1cccs1 ZINC000461505211 874580817 /nfs/dbraw/zinc/58/08/17/874580817.db2.gz CQGJNAUKUGGYAO-GOSISDBHSA-N 0 1 418.570 4.094 20 0 HIADMN COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)CCSc1nnc(C)[nH]1 ZINC000468755500 882844534 /nfs/dbraw/zinc/84/45/34/882844534.db2.gz ADPAXUZWKFNDRZ-KRWDZBQOSA-N 0 1 424.570 4.264 20 0 HIADMN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN3Cc3ccccc3)cc2)n1 ZINC000461563902 874659537 /nfs/dbraw/zinc/65/95/37/874659537.db2.gz OZHKFBBMSFZUKS-YKSBVNFPSA-N 0 1 402.542 4.331 20 0 HIADMN COc1cc(Br)ccc1[C@@H](C)N[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000468770120 882852236 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20 0 HIADMN c1nc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c([C@H]2CCCO2)o1 ZINC000463193798 876252970 /nfs/dbraw/zinc/25/29/70/876252970.db2.gz XFQYTPWFPGCRRA-CQSZACIVSA-N 0 1 406.427 4.243 20 0 HIADMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000463197286 876256408 /nfs/dbraw/zinc/25/64/08/876256408.db2.gz PQBQDGWCTBCGNV-OIISXLGYSA-N 0 1 416.896 4.286 20 0 HIADMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000463197285 876257110 /nfs/dbraw/zinc/25/71/10/876257110.db2.gz PQBQDGWCTBCGNV-DJIMGWMZSA-N 0 1 416.896 4.286 20 0 HIADMN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000463234498 876290436 /nfs/dbraw/zinc/29/04/36/876290436.db2.gz KDPKMKSIKZIMSE-OALUTQOASA-N 0 1 413.549 4.090 20 0 HIADMN COC(=O)c1ccc(OCCSc2nc(C=Cc3ccc(C)o3)n[nH]2)c(Cl)c1 ZINC000463267235 876325080 /nfs/dbraw/zinc/32/50/80/876325080.db2.gz QLJGPHIXEHVETK-SOFGYWHQSA-N 0 1 419.890 4.488 20 0 HIADMN COc1ccc([C@H](CNC(=O)N(Cc2ccccc2)CC(F)F)N2CCCC2)cc1 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COc1ccc(CN2CCCN(C(=O)c3cccc(Br)c3C)CC2)cc1 ZINC000463331747 876388152 /nfs/dbraw/zinc/38/81/52/876388152.db2.gz CHZCWPZZNDTJPV-UHFFFAOYSA-N 0 1 417.347 4.114 20 0 HIADMN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cn[nH]c1-c1ccccc1 ZINC000463336089 876392306 /nfs/dbraw/zinc/39/23/06/876392306.db2.gz RFSDIDGTUVBBLO-UHFFFAOYSA-N 0 1 416.460 4.453 20 0 HIADMN CCO[C@@H](C)c1ncc(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)s1 ZINC000463336745 876392593 /nfs/dbraw/zinc/39/25/93/876392593.db2.gz TVKFGVVRYCMABC-AWEZNQCLSA-N 0 1 422.982 4.288 20 0 HIADMN CC(=O)Nc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc(C(F)(F)F)c1 ZINC000468958724 883025141 /nfs/dbraw/zinc/02/51/41/883025141.db2.gz JKLMDCSOUOKSBW-SFHVURJKSA-N 0 1 421.419 4.301 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000463372265 876427951 /nfs/dbraw/zinc/42/79/51/876427951.db2.gz RULYVPIJYOLAPQ-IRXDYDNUSA-N 0 1 401.297 4.241 20 0 HIADMN COc1ccc(C)cc1NC(=O)[C@@H](C)N(C)CCc1cccc(Br)c1 ZINC000463429332 876484431 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401.576 4.021 20 0 HIADMN CO[C@](C)(CNC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)C1CC1 ZINC000463633102 876751109 /nfs/dbraw/zinc/75/11/09/876751109.db2.gz BZQOGHHBBSSMRO-OAHLLOKOSA-N 0 1 406.355 4.154 20 0 HIADMN C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000463649020 876769653 /nfs/dbraw/zinc/76/96/53/876769653.db2.gz KQCAMERYUMFWQX-ROUUACIJSA-N 0 1 415.528 4.163 20 0 HIADMN COc1ccc(-c2n[nH]c(Sc3ccnc(Cc4ccccc4)n3)n2)c(OC)c1 ZINC000463665830 876786788 /nfs/dbraw/zinc/78/67/88/876786788.db2.gz SEYUDKXTDHGITO-UHFFFAOYSA-N 0 1 405.483 4.021 20 0 HIADMN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H]1CCN(Cc3ccc(C(F)(F)F)cc3)C1)C2 ZINC000463733983 876854436 /nfs/dbraw/zinc/85/44/36/876854436.db2.gz GCGMGWFLCWFZIK-PZJWPPBQSA-N 0 1 418.459 4.016 20 0 HIADMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463734343 876855599 /nfs/dbraw/zinc/85/55/99/876855599.db2.gz GTPXRGMLDQVEFX-UHFFFAOYSA-N 0 1 406.833 4.305 20 0 HIADMN CCCCOc1ccccc1CNCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000463737086 876858312 /nfs/dbraw/zinc/85/83/12/876858312.db2.gz DBSREHJJNBTKGZ-WOJBJXKFSA-N 0 1 410.558 4.405 20 0 HIADMN O=S(=O)(Nc1cc(F)c(Br)cc1F)c1c(F)cccc1Cl ZINC000463781720 876901333 /nfs/dbraw/zinc/90/13/33/876901333.db2.gz JSHMQMAZTCYNKF-UHFFFAOYSA-N 0 1 400.603 4.321 20 0 HIADMN COC(=O)CCc1ccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)cc1 ZINC000463872349 876993417 /nfs/dbraw/zinc/99/34/17/876993417.db2.gz VRCROAUWJNSRHC-UHFFFAOYSA-N 0 1 415.396 4.036 20 0 HIADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000463892811 877015067 /nfs/dbraw/zinc/01/50/67/877015067.db2.gz DQABSRRKENFNLF-NVXWUHKLSA-N 0 1 418.559 4.359 20 0 HIADMN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C ZINC000463895702 877017853 /nfs/dbraw/zinc/01/78/53/877017853.db2.gz IBKBGPIWNWMDKK-NVXWUHKLSA-N 0 1 418.559 4.359 20 0 HIADMN Cn1cc(-c2cc(CSc3nc(-c4cc(Cl)cc(Cl)c4)n[nH]3)on2)cn1 ZINC000469023836 883091414 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RTDYWMQMIMXDQI-UHFFFAOYSA-N 0 1 403.261 4.196 20 0 HIADMN Cc1ccc(-c2ccc(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)c(F)c2)cc1C ZINC000503288416 912270990 /nfs/dbraw/zinc/27/09/90/912270990.db2.gz HEIHNWHGBHDNTH-XMMPIXPASA-N 0 1 411.565 4.111 20 0 HIADMN C[C@H]1CN(C(=O)c2[nH]nc3ccc(I)cc32)[C@@H]1c1ccccc1 ZINC000464545468 877759747 /nfs/dbraw/zinc/75/97/47/877759747.db2.gz DDQFBHWPRBTFME-GTNSWQLSSA-N 0 1 417.250 4.001 20 0 HIADMN CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000464549752 877764696 /nfs/dbraw/zinc/76/46/96/877764696.db2.gz LYOOAQGSWSMUES-OAQYLSRUSA-N 0 1 401.595 4.248 20 0 HIADMN O=C(Cc1csc(-c2ccoc2)n1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464558664 877776413 /nfs/dbraw/zinc/77/64/13/877776413.db2.gz QQSRWJJNWWBDKU-UHFFFAOYSA-N 0 1 403.261 4.223 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(F)cc(Br)c1 ZINC000464577358 877801368 /nfs/dbraw/zinc/80/13/68/877801368.db2.gz SUJPXYHVDBBIFJ-UHFFFAOYSA-N 0 1 413.044 4.479 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1Br ZINC000464579306 877802960 /nfs/dbraw/zinc/80/29/60/877802960.db2.gz SXJQIFFAOQDVJY-UHFFFAOYSA-N 0 1 413.044 4.479 20 0 HIADMN CO[C@@H](CNC(=O)c1ccc(CN2CCSCC2)cc1)c1cccc(Cl)c1 ZINC000464587976 877812326 /nfs/dbraw/zinc/81/23/26/877812326.db2.gz AWLMOLWHCRIIGE-FQEVSTJZSA-N 0 1 404.963 4.006 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000464598223 877825756 /nfs/dbraw/zinc/82/57/56/877825756.db2.gz KTLNWEBOOLKFKS-GFCCVEGCSA-N 0 1 414.447 4.071 20 0 HIADMN O=C(CN1C[C@@H]2CCC(=O)c3cccc1c32)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000464617737 877840826 /nfs/dbraw/zinc/84/08/26/877840826.db2.gz GPJLFIREEMNFOI-NSHDSACASA-N 0 1 414.387 4.101 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000464626137 877844509 /nfs/dbraw/zinc/84/45/09/877844509.db2.gz UHIKKTLRNATQEF-NSHDSACASA-N 0 1 414.884 4.491 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000464739282 877974509 /nfs/dbraw/zinc/97/45/09/877974509.db2.gz UWPQPJFXGVGLOG-WBVHZDCISA-N 0 1 424.467 4.311 20 0 HIADMN O=C(CN1CC[C@H](CSc2ccccc2)C1)NCc1ccc(OC(F)F)cc1 ZINC000464766084 878007727 /nfs/dbraw/zinc/00/77/27/878007727.db2.gz BFLNIQCSFZSKFQ-KRWDZBQOSA-N 0 1 406.498 4.018 20 0 HIADMN CCS[C@H]1CC[C@H](N(C)Cc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)C1 ZINC000464772987 878017275 /nfs/dbraw/zinc/01/72/75/878017275.db2.gz KCLRRWKWGPJLNB-KBPBESRZSA-N 0 1 413.490 4.453 20 0 HIADMN CC[C@]1(C)CCCN(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)C1 ZINC000464781625 878026339 /nfs/dbraw/zinc/02/63/39/878026339.db2.gz UAKAWEHKWRFOTP-JOCHJYFZSA-N 0 1 416.953 4.393 20 0 HIADMN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503324089 912303295 /nfs/dbraw/zinc/30/32/95/912303295.db2.gz SFPNGBWQRMIOMO-LLVKDONJSA-N 0 1 412.291 4.186 20 0 HIADMN CO[C@@]1(C)C[C@@H](N(C)CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1(C)C ZINC000464814889 878067228 /nfs/dbraw/zinc/06/72/28/878067228.db2.gz NZQGKKWPZKPGSB-GCJKJVERSA-N 0 1 415.559 4.074 20 0 HIADMN O=C(CN1CCC(OCC2CC2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000464817146 878071585 /nfs/dbraw/zinc/07/15/85/878071585.db2.gz VGLJELXNAGGXIC-UHFFFAOYSA-N 0 1 402.554 4.378 20 0 HIADMN CCOC(=O)c1oc2ccc(Br)cc2c1CN1CCC2(C1)CCOCC2 ZINC000464826168 878078919 /nfs/dbraw/zinc/07/89/19/878078919.db2.gz YLQWCPFLXXNGSL-UHFFFAOYSA-N 0 1 422.319 4.375 20 0 HIADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464835148 878096018 /nfs/dbraw/zinc/09/60/18/878096018.db2.gz HXKJUTUHCPKOTQ-YSGRDPCXSA-N 0 1 401.503 4.012 20 0 HIADMN CCSCC[C@@H](C)N(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000464851559 878130776 /nfs/dbraw/zinc/13/07/76/878130776.db2.gz PRVINXRGJAPGQP-WBVHZDCISA-N 0 1 405.589 4.482 20 0 HIADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3C[C@@H]4CCC[C@@H]4C3)cc2)cc1 ZINC000464858435 878139462 /nfs/dbraw/zinc/13/94/62/878139462.db2.gz WFELRAKDOLFQCI-KDURUIRLSA-N 0 1 407.514 4.008 20 0 HIADMN C[C@H]1CCC[C@H](CCN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)C1 ZINC000464868307 878152752 /nfs/dbraw/zinc/15/27/52/878152752.db2.gz LEFWDABUKRHHPC-ZWKOTPCHSA-N 0 1 411.512 4.478 20 0 HIADMN Cc1cccc(Oc2cc(CNC(=O)[C@H](Cc3ccccc3)N(C)C)ccn2)c1C ZINC000464892207 878193576 /nfs/dbraw/zinc/19/35/76/878193576.db2.gz WYVUYORAWKFCRT-QFIPXVFZSA-N 0 1 403.526 4.280 20 0 HIADMN Cc1nc(-c2ccccn2)sc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000464896733 878201498 /nfs/dbraw/zinc/20/14/98/878201498.db2.gz SDTHLHUHVWHLRU-QGZVFWFLSA-N 0 1 406.555 4.250 20 0 HIADMN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1Br ZINC000464908231 878223908 /nfs/dbraw/zinc/22/39/08/878223908.db2.gz JFZRZKFQNJVJKV-OAHLLOKOSA-N 0 1 419.367 4.032 20 0 HIADMN O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Br)cc2nc[nH]c21 ZINC000503346696 912323677 /nfs/dbraw/zinc/32/36/77/912323677.db2.gz NLCXZHZWIVNHRM-UHFFFAOYSA-N 0 1 400.261 4.096 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000464932133 878259458 /nfs/dbraw/zinc/25/94/58/878259458.db2.gz AODAGAJVQNRTEN-OALUTQOASA-N 0 1 413.949 4.233 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)sc1Cl ZINC000464936713 878269041 /nfs/dbraw/zinc/26/90/41/878269041.db2.gz PGGQAKNRIGMSSF-UHFFFAOYSA-N 0 1 414.358 4.458 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000464938305 878271699 /nfs/dbraw/zinc/27/16/99/878271699.db2.gz LWJLXNBIKHGVPC-HXUWFJFHSA-N 0 1 407.558 4.286 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000464943080 878278103 /nfs/dbraw/zinc/27/81/03/878278103.db2.gz SEHYDNXTTQSQCC-ATIYNZHBSA-N 0 1 419.569 4.070 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sc(C(C)(C)C)nc1C ZINC000464943349 878279296 /nfs/dbraw/zinc/27/92/96/878279296.db2.gz SUUUUDXYXBIKHD-UHFFFAOYSA-N 0 1 416.591 4.152 20 0 HIADMN Cc1ccc2c(CCC(=O)NCc3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)c[nH]c2c1 ZINC000465034336 878397554 /nfs/dbraw/zinc/39/75/54/878397554.db2.gz NEMIYNUFXJCDON-PMACEKPBSA-N 0 1 419.569 4.335 20 0 HIADMN CN1CCN(CCOc2ccc(NC(=O)Nc3cc(Cl)ccc3Cl)cc2)CC1 ZINC000465061028 878423385 /nfs/dbraw/zinc/42/33/85/878423385.db2.gz WMKPZFGBZZJPNT-UHFFFAOYSA-N 0 1 423.344 4.264 20 0 HIADMN CCO[C@H](CC(=O)NC[C@H](c1ccccc1OC)N1CCCCC1)C1=CCCC1 ZINC000465076131 878435695 /nfs/dbraw/zinc/43/56/95/878435695.db2.gz BSCYTUPAASNFED-FYYLOGMGSA-N 0 1 400.563 4.244 20 0 HIADMN COC(=O)c1ccsc1N1CC[C@H](N[C@H]2CCSc3ccc(Cl)cc32)C1=O ZINC000465080061 878441415 /nfs/dbraw/zinc/44/14/15/878441415.db2.gz KYVKTCNFQFOHOO-GJZGRUSLSA-N 0 1 422.959 4.120 20 0 HIADMN COc1ccc([C@H](CNC(=O)NCc2csc3ccccc23)N(C)C)cc1OC ZINC000503372899 912352497 /nfs/dbraw/zinc/35/24/97/912352497.db2.gz HTCXVDPPNADWPF-SFHVURJKSA-N 0 1 413.543 4.021 20 0 HIADMN COCCN1CC[C@@H](NC(=O)c2ccc(Oc3ccc(Cl)cc3Cl)cc2)C1 ZINC000465128074 878508850 /nfs/dbraw/zinc/50/88/50/878508850.db2.gz OQXPNHKIVOFRSC-MRXNPFEDSA-N 0 1 409.313 4.236 20 0 HIADMN CCC[C@H](NC(=O)[C@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503375221 912357907 /nfs/dbraw/zinc/35/79/07/912357907.db2.gz KLERLACVVFZCBL-WPYKKVEZSA-N 0 1 408.590 4.445 20 0 HIADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2cnccc21 ZINC000465168202 878552704 /nfs/dbraw/zinc/55/27/04/878552704.db2.gz JGSWBMSHWCBVAU-UHFFFAOYSA-N 0 1 403.463 4.288 20 0 HIADMN CCO[C@@H](CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)C1=CCCC1 ZINC000465168315 878552938 /nfs/dbraw/zinc/55/29/38/878552938.db2.gz SAGFPTFJFZKOHH-QFIPXVFZSA-N 0 1 413.562 4.345 20 0 HIADMN COc1cc(CCC(=O)NCc2nc3ccc(C)cc3[nH]2)ccc1OCC(F)(F)F ZINC000465181899 878569464 /nfs/dbraw/zinc/56/94/64/878569464.db2.gz DYWAHZNXZSAVTD-UHFFFAOYSA-N 0 1 421.419 4.070 20 0 HIADMN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1nc3ccc(C)cc3[nH]1)O[C@@H](C)C2 ZINC000465194842 878594545 /nfs/dbraw/zinc/59/45/45/878594545.db2.gz KWVIBUBRDOIGKC-ZVZYQTTQSA-N 0 1 405.498 4.013 20 0 HIADMN Cc1sc2nc([C@@H](C)N3CCC[C@H](c4ncc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389904 912373451 /nfs/dbraw/zinc/37/34/51/912373451.db2.gz INDLNPNYBIJIEB-ZBFHGGJFSA-N 0 1 410.591 4.364 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(-n4nnnc4C4CC4)c3)[nH]n2)cc1 ZINC000465279223 878714956 /nfs/dbraw/zinc/71/49/56/878714956.db2.gz XZWFTSLMVRJKHZ-UHFFFAOYSA-N 0 1 419.876 4.144 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCS[C@@H](C(C)C)C2)N2CCCCC2)cc1 ZINC000465398068 878834298 /nfs/dbraw/zinc/83/42/98/878834298.db2.gz AZPCGEZGBYCZQA-LEWJYISDSA-N 0 1 405.608 4.005 20 0 HIADMN CCO[C@H](C)c1nc(CN(C)C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cs1 ZINC000465404961 878839446 /nfs/dbraw/zinc/83/94/46/878839446.db2.gz HZSYISKUKJGGHM-AEFFLSMTSA-N 0 1 420.579 4.202 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)N(C)C)cc1OC ZINC000465405939 878841376 /nfs/dbraw/zinc/84/13/76/878841376.db2.gz RNGBZBQUEOEJTL-WDSOQIARSA-N 0 1 415.534 4.082 20 0 HIADMN CC[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000465407658 878843400 /nfs/dbraw/zinc/84/34/00/878843400.db2.gz QVEHKORASQGNOE-WDEREUQCSA-N 0 1 406.499 4.277 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCC(C(F)(F)F)CC2)N2CCCCC2)cc1 ZINC000465415722 878847837 /nfs/dbraw/zinc/84/78/37/878847837.db2.gz XPPZTXOJWPFMIK-IBGZPJMESA-N 0 1 413.484 4.206 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](Cc2ccccc2)C1)N1CCCC1 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20 0 HIADMN Cc1nc2sccn2c1CN(C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000474283245 889147965 /nfs/dbraw/zinc/14/79/65/889147965.db2.gz MHHZNBAVLRVLGS-NRFANRHFSA-N 0 1 424.595 4.493 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(CC2CC2)C2CCC2)CC1 ZINC000474316516 889181238 /nfs/dbraw/zinc/18/12/38/889181238.db2.gz ZJNLYDMJPKJGAH-KRWDZBQOSA-N 0 1 402.558 4.003 20 0 HIADMN O=C(NCCOc1ncccc1Cl)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000474335863 889208719 /nfs/dbraw/zinc/20/87/19/889208719.db2.gz JCPQGRKIIMKNCI-INIZCTEOSA-N 0 1 420.300 4.190 20 0 HIADMN C[C@H](Nc1ccccc1N1CCN(CCc2ccncc2)CC1)C1CCSCC1 ZINC000474386176 889259356 /nfs/dbraw/zinc/25/93/56/889259356.db2.gz BRPBWKGYADUFAR-FQEVSTJZSA-N 0 1 410.631 4.390 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCC1(c3ccc4c(c3)OCCO4)CCCC1)C2 ZINC000474431296 889296581 /nfs/dbraw/zinc/29/65/81/889296581.db2.gz IEMVDJODIOEHBQ-QGZVFWFLSA-N 0 1 423.557 4.037 20 0 HIADMN O=C(Nc1cc(F)cc(Cl)c1O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000474434375 889299190 /nfs/dbraw/zinc/29/91/90/889299190.db2.gz LDIZYSNZUVHIMJ-UHFFFAOYSA-N 0 1 407.779 4.390 20 0 HIADMN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cc(F)cc(Cl)c1O ZINC000474440736 889306943 /nfs/dbraw/zinc/30/69/43/889306943.db2.gz ZVFMQNHEVRKKDO-UHFFFAOYSA-N 0 1 413.257 4.421 20 0 HIADMN O=C(Nc1cc(F)cc(Cl)c1O)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000474448040 889314146 /nfs/dbraw/zinc/31/41/46/889314146.db2.gz RZWVOGROOLANDO-UHFFFAOYSA-N 0 1 418.709 4.176 20 0 HIADMN CCCCOc1ccc(C(=O)NCC(=O)Nc2cccc3c2CN(CC(C)C)C3)cc1 ZINC000474519311 889388143 /nfs/dbraw/zinc/38/81/43/889388143.db2.gz NCNAOGVZZJYFKL-UHFFFAOYSA-N 0 1 423.557 4.206 20 0 HIADMN Cc1sc([C@@H](C)NC(=O)NCCN2CC=CCC2)nc1-c1ccc(Cl)cc1 ZINC000474528546 889400224 /nfs/dbraw/zinc/40/02/24/889400224.db2.gz QXRJXVSBUDUCQS-CQSZACIVSA-N 0 1 404.967 4.394 20 0 HIADMN C[C@H](CC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccc(C(F)(F)F)cc1 ZINC000474574042 889449361 /nfs/dbraw/zinc/44/93/61/889449361.db2.gz HMBPTNUKFJHAKS-CQSZACIVSA-N 0 1 418.419 4.213 20 0 HIADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000474575580 889449565 /nfs/dbraw/zinc/44/95/65/889449565.db2.gz DXGJTNVJXGKFDH-CABCVRRESA-N 0 1 417.296 4.110 20 0 HIADMN O=C(CCc1cccc(F)c1F)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000504585814 913346958 /nfs/dbraw/zinc/34/69/58/913346958.db2.gz PUIBKHXZXWEDTP-UHFFFAOYSA-N 0 1 416.449 4.337 20 0 HIADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1occc1CSc1ccccc1 ZINC000474578916 889453051 /nfs/dbraw/zinc/45/30/51/889453051.db2.gz VBXJGDKOBKIURS-UHFFFAOYSA-N 0 1 420.494 4.199 20 0 HIADMN O=C(CCCSc1ccc(Cl)cc1)NCc1n[nH]c(COc2ccccc2)n1 ZINC000474586970 889456546 /nfs/dbraw/zinc/45/65/46/889456546.db2.gz ZVJVXWPTMMQCND-UHFFFAOYSA-N 0 1 416.934 4.226 20 0 HIADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)C1(c2ccc(F)cc2)CCCCC1 ZINC000474600299 889468216 /nfs/dbraw/zinc/46/82/16/889468216.db2.gz UWSRWNBIVFUYHP-UHFFFAOYSA-N 0 1 408.477 4.041 20 0 HIADMN CCc1ccc(-c2ccc(C(=O)NCc3n[nH]c(COc4ccccc4)n3)o2)cc1 ZINC000474600275 889468635 /nfs/dbraw/zinc/46/86/35/889468635.db2.gz URNBYLDDZWYIKQ-UHFFFAOYSA-N 0 1 402.454 4.136 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(F)cc3)on2)N2CCCC2)cc1 ZINC000474668222 889532369 /nfs/dbraw/zinc/53/23/69/889532369.db2.gz NCKRTOSCNQSKGP-NRFANRHFSA-N 0 1 409.461 4.056 20 0 HIADMN Cc1c(F)ccc(Cl)c1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000474771606 889628630 /nfs/dbraw/zinc/62/86/30/889628630.db2.gz DIVFCSPYORVOJM-HUUCEWRRSA-N 0 1 404.913 4.327 20 0 HIADMN CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)cc1Cl ZINC000474780107 889637207 /nfs/dbraw/zinc/63/72/07/889637207.db2.gz JNIVXKNTWQEEFT-AWEZNQCLSA-N 0 1 416.953 4.412 20 0 HIADMN CCOc1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1OC(F)F ZINC000474796689 889650195 /nfs/dbraw/zinc/65/01/95/889650195.db2.gz VTDGEPFUULYXJX-UHFFFAOYSA-N 0 1 408.836 4.211 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1cccc(Br)c1 ZINC000504614744 913369382 /nfs/dbraw/zinc/36/93/82/913369382.db2.gz YTXKXFBMAHHKSN-UHFFFAOYSA-N 0 1 419.388 4.488 20 0 HIADMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000474876659 889730495 /nfs/dbraw/zinc/73/04/95/889730495.db2.gz IUSQGZQVDZSVHY-OALUTQOASA-N 0 1 413.993 4.352 20 0 HIADMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000474878536 889733411 /nfs/dbraw/zinc/73/34/11/889733411.db2.gz JYOMEGAGTZRQDG-RBUKOAKNSA-N 0 1 413.993 4.352 20 0 HIADMN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000474878537 889733927 /nfs/dbraw/zinc/73/39/27/889733927.db2.gz JYOMEGAGTZRQDG-RTBURBONSA-N 0 1 413.993 4.352 20 0 HIADMN COc1ccc([C@H](C)[C@@H](C)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)cc1 ZINC000474880613 889736676 /nfs/dbraw/zinc/73/66/76/889736676.db2.gz WOYOKNVDFLZHGK-QZMQVMSPSA-N 0 1 409.530 4.317 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)on1)N1CCCC1 ZINC000474900674 889761119 /nfs/dbraw/zinc/76/11/19/889761119.db2.gz GSCCEXCTXSPRHQ-HXUWFJFHSA-N 0 1 409.461 4.056 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc(OC(F)F)cc1OC(F)F)C2 ZINC000474901276 889761206 /nfs/dbraw/zinc/76/12/06/889761206.db2.gz ZWUBACQAGWRXCM-SNVBAGLBSA-N 0 1 415.387 4.480 20 0 HIADMN COc1cc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)ccc1OCCC(C)C ZINC000474912516 889772837 /nfs/dbraw/zinc/77/28/37/889772837.db2.gz RVPPJXKSLOWDOH-SFHVURJKSA-N 0 1 413.562 4.388 20 0 HIADMN CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)C1 ZINC000474913421 889774282 /nfs/dbraw/zinc/77/42/82/889774282.db2.gz NKPIAHQFBWBFIX-NQIIRXRSSA-N 0 1 401.551 4.035 20 0 HIADMN CC[C@H](NCc1cnc(-c2cnn(C)c2)nc1)c1cc(F)cc(Br)c1 ZINC000474949662 889805689 /nfs/dbraw/zinc/80/56/89/889805689.db2.gz UPJNOCFYABXHNR-KRWDZBQOSA-N 0 1 404.287 4.020 20 0 HIADMN Cc1onc(-c2ccccc2C)c1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000474964797 889819985 /nfs/dbraw/zinc/81/99/85/889819985.db2.gz MEAZSWHZIGBZNK-UHFFFAOYSA-N 0 1 407.489 4.492 20 0 HIADMN Cc1cc(F)c(Br)cc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000474967318 889822662 /nfs/dbraw/zinc/82/26/62/889822662.db2.gz MXHPHPZBLRKKEL-CQSZACIVSA-N 0 1 400.317 4.383 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1cccc(NC(=O)C3CCCC3)c1)C2 ZINC000475012080 889865733 /nfs/dbraw/zinc/86/57/33/889865733.db2.gz FKQDPKWCCPRGLC-SFHVURJKSA-N 0 1 408.546 4.083 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(C(=O)N3CCCCCC3)cc1)C2 ZINC000475017587 889870129 /nfs/dbraw/zinc/87/01/29/889870129.db2.gz XHZHAUPSMLAGJC-SFHVURJKSA-N 0 1 408.546 4.293 20 0 HIADMN CCS(=O)(=O)CCCCCN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000475049282 889897706 /nfs/dbraw/zinc/89/77/06/889897706.db2.gz KHEGEULTDZXORY-LJQANCHMSA-N 0 1 405.608 4.402 20 0 HIADMN Cc1cccc(C)c1C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000475050194 889897806 /nfs/dbraw/zinc/89/78/06/889897806.db2.gz UQPRUZYCBGVTRV-UHFFFAOYSA-N 0 1 405.464 4.004 20 0 HIADMN CC(=O)N(c1nc(CN[C@@H](CCO)C(C)C)cs1)c1cccc(C(F)(F)F)c1 ZINC000475138214 890003909 /nfs/dbraw/zinc/00/39/09/890003909.db2.gz MOSRRQHZBMCBBG-KRWDZBQOSA-N 0 1 415.481 4.343 20 0 HIADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cc2[nH]ccc2s1 ZINC000475169160 890034041 /nfs/dbraw/zinc/03/40/41/890034041.db2.gz JVGGBMBLFAUDSB-UHFFFAOYSA-N 0 1 417.538 4.199 20 0 HIADMN C[C@H](Oc1cccnc1NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000475269201 890164408 /nfs/dbraw/zinc/16/44/08/890164408.db2.gz MRSNLWZBJSJRGL-JXFKEZNVSA-N 0 1 414.469 4.251 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475304300 890214231 /nfs/dbraw/zinc/21/42/31/890214231.db2.gz PTXCPKRWJFBDOV-NRFANRHFSA-N 0 1 405.567 4.389 20 0 HIADMN CN(C(=O)c1csc(Cc2ccc(F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475316897 890233521 /nfs/dbraw/zinc/23/35/21/890233521.db2.gz NADXYBIPGCLLNO-FQEVSTJZSA-N 0 1 409.530 4.220 20 0 HIADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ncccc3Br)n2)cc1 ZINC000475325450 890244052 /nfs/dbraw/zinc/24/40/52/890244052.db2.gz MGYXAZFFQBPROE-UHFFFAOYSA-N 0 1 400.280 4.179 20 0 HIADMN CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCC(CCN4CCOCC4)CC1)(C2)C3 ZINC000475328326 890248119 /nfs/dbraw/zinc/24/81/19/890248119.db2.gz IFUQAZRMPYSKOM-UHFFFAOYSA-N 0 1 402.623 4.334 20 0 HIADMN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@@H](c2ccc(C)cc2)c2ccccn2)c1 ZINC000475333271 890254975 /nfs/dbraw/zinc/25/49/75/890254975.db2.gz IHNRTHDEBHTHRO-KOSHJBKYSA-N 0 1 417.509 4.273 20 0 HIADMN COc1ccnc(CN[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1OC ZINC000475335692 890255488 /nfs/dbraw/zinc/25/54/88/890255488.db2.gz SJSZIBYSVXWPNW-OAQYLSRUSA-N 0 1 405.489 4.082 20 0 HIADMN COC(=O)c1nc([C@H]2CCCN2C[C@H](C)Cc2ccc(OC)c(F)c2)sc1C ZINC000475339528 890260560 /nfs/dbraw/zinc/26/05/60/890260560.db2.gz ZBFFJNMRNYXEFY-CXAGYDPISA-N 0 1 406.523 4.402 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)n[nH]1 ZINC000475360241 890285978 /nfs/dbraw/zinc/28/59/78/890285978.db2.gz HSIJIZSUCZBQID-GWOFURMSSA-N 0 1 412.357 4.059 20 0 HIADMN COc1ccc(OCc2nc(CN3CCC[C@]3(CO)Cc3ccccc3)cs2)cc1 ZINC000475370834 890300283 /nfs/dbraw/zinc/30/02/83/890300283.db2.gz RAOHRHMXIONHAU-XMMPIXPASA-N 0 1 424.566 4.300 20 0 HIADMN CCC1(CC)CCC(NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)CC1 ZINC000475382427 890310837 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HIADMN Cc1ccc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c(Br)c1 ZINC000504897104 913627202 /nfs/dbraw/zinc/62/72/02/913627202.db2.gz WJUFHFQWYCBGBO-HNNXBMFYSA-N 0 1 402.336 4.326 20 0 HIADMN Cc1ccc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(Br)c1 ZINC000504897105 913628093 /nfs/dbraw/zinc/62/80/93/913628093.db2.gz WJUFHFQWYCBGBO-OAHLLOKOSA-N 0 1 402.336 4.326 20 0 HIADMN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)c12 ZINC000477231264 892170423 /nfs/dbraw/zinc/17/04/23/892170423.db2.gz FXYWLOBTEMQXSS-AWEZNQCLSA-N 0 1 411.554 4.351 20 0 HIADMN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)ccc3cccnc32)c(C)c1 ZINC000477256742 892207747 /nfs/dbraw/zinc/20/77/47/892207747.db2.gz YCGJGVGZUMMXEE-MRXNPFEDSA-N 0 1 411.527 4.181 20 0 HIADMN Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C)c4n[nH]c(C(C)C)n4)cc3)o2)c1 ZINC000477266249 892217995 /nfs/dbraw/zinc/21/79/95/892217995.db2.gz QUXZBDPCNNKFIC-HNNXBMFYSA-N 0 1 416.485 4.445 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)n[nH]1 ZINC000477269436 892220760 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C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000478854901 894134430 /nfs/dbraw/zinc/13/44/30/894134430.db2.gz LIBORVVTRAPJEQ-MZYLBHOOSA-N 0 1 406.526 4.177 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2c2csc(C)n2)N2CCCC2)cc1 ZINC000478855511 894135120 /nfs/dbraw/zinc/13/51/20/894135120.db2.gz PMCDWZYHKDISCG-NHCUHLMSSA-N 0 1 414.575 4.144 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)N2CCCC2)o1 ZINC000478892523 894172634 /nfs/dbraw/zinc/17/26/34/894172634.db2.gz MVJBJMWRRRLGRP-DOTOQJQBSA-N 0 1 401.473 4.345 20 0 HIADMN CCCn1nccc1C1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000505157781 913849510 /nfs/dbraw/zinc/84/95/10/913849510.db2.gz YXYATCAQECXLMO-UHFFFAOYSA-N 0 1 403.939 4.418 20 0 HIADMN CCOc1cc(CN(CC)[C@H](C)c2cccc(OC)c2)nc2nc(C(F)(F)F)nn21 ZINC000478970718 894248583 /nfs/dbraw/zinc/24/85/83/894248583.db2.gz JOLICELBVNPMOU-CYBMUJFWSA-N 0 1 423.439 4.134 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cscc2Br)N2CCCCC2)cc1 ZINC000505163304 913853845 /nfs/dbraw/zinc/85/38/45/913853845.db2.gz BVIFRQULNLDGJF-GOSISDBHSA-N 0 1 423.376 4.476 20 0 HIADMN CN(CC(F)F)C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000505163231 913853860 /nfs/dbraw/zinc/85/38/60/913853860.db2.gz AHPQQIAOZHDJTM-UHFFFAOYSA-N 0 1 423.268 4.131 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)CCN[C@@H](C)c1ccc(Br)cn1 ZINC000479071660 894336939 /nfs/dbraw/zinc/33/69/39/894336939.db2.gz SQVNHQCNCFVFKT-NSHDSACASA-N 0 1 412.715 4.186 20 0 HIADMN C[C@H](NCCOC1CCCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479081520 894346553 /nfs/dbraw/zinc/34/65/53/894346553.db2.gz QBSLKKLFULQRNA-LBPRGKRZSA-N 0 1 409.379 4.031 20 0 HIADMN COC(=O)c1cccc2nc(NC(=O)c3c(C)cc(Br)cc3Cl)[nH]c21 ZINC000479086166 894352205 /nfs/dbraw/zinc/35/22/05/894352205.db2.gz PBICSSJOGURDPA-UHFFFAOYSA-N 0 1 422.666 4.326 20 0 HIADMN CC(=O)Nc1ccc(C)c(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c1 ZINC000479091906 894358580 /nfs/dbraw/zinc/35/85/80/894358580.db2.gz CEBSRUNPIZOXKM-UHFFFAOYSA-N 0 1 408.527 4.307 20 0 HIADMN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000479132492 894401724 /nfs/dbraw/zinc/40/17/24/894401724.db2.gz NNJANYDIUNYXAS-UHFFFAOYSA-N 0 1 407.451 4.116 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)cc1Br ZINC000479171459 894441246 /nfs/dbraw/zinc/44/12/46/894441246.db2.gz YIVBBHBHOIRKAN-UHFFFAOYSA-N 0 1 404.289 4.015 20 0 HIADMN CCc1nc(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)n[nH]1 ZINC000479189328 894456321 /nfs/dbraw/zinc/45/63/21/894456321.db2.gz NJXIEGBWLCWSNQ-MRXNPFEDSA-N 0 1 419.254 4.028 20 0 HIADMN CCc1n[nH]c(NC(=O)[C@H](Oc2ccc(F)cc2Br)c2ccccc2)n1 ZINC000479189328 894456322 /nfs/dbraw/zinc/45/63/22/894456322.db2.gz NJXIEGBWLCWSNQ-MRXNPFEDSA-N 0 1 419.254 4.028 20 0 HIADMN C[NH+](C)CCCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000479238704 894502818 /nfs/dbraw/zinc/50/28/18/894502818.db2.gz FBQCXZFIMFTKBB-UHFFFAOYSA-N 0 1 403.331 4.125 20 0 HIADMN C[C@@H](c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1)[NH+]1CCOCC1 ZINC000479241657 894503983 /nfs/dbraw/zinc/50/39/83/894503983.db2.gz JOMHPVWRSJEMFT-ZDUSSCGKSA-N 0 1 415.342 4.187 20 0 HIADMN O=S(=O)(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1OC(F)F ZINC000479265965 894536076 /nfs/dbraw/zinc/53/60/76/894536076.db2.gz LIFULXYYLCWUEY-UHFFFAOYSA-N 0 1 405.426 4.152 20 0 HIADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000479267337 894539269 /nfs/dbraw/zinc/53/92/69/894539269.db2.gz SSHCFEFOHPWDBE-UHFFFAOYSA-N 0 1 413.880 4.079 20 0 HIADMN O=S1(=O)CCCC[C@@H]1CN[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479278713 894554096 /nfs/dbraw/zinc/55/40/96/894554096.db2.gz KEXSOFLOIMYCJR-MOPGFXCFSA-N 0 1 408.361 4.095 20 0 HIADMN Cc1nc2cc(Cl)c(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)cc2s1 ZINC000479298893 894583443 /nfs/dbraw/zinc/58/34/43/894583443.db2.gz WPDGQRGOUBEDGP-UHFFFAOYSA-N 0 1 407.826 4.473 20 0 HIADMN CCOc1cc(Br)ccc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000479317567 894604545 /nfs/dbraw/zinc/60/45/45/894604545.db2.gz KQQCPWHLVAPHCX-CQSZACIVSA-N 0 1 412.353 4.334 20 0 HIADMN CC(C)[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(F)ccc1F ZINC000479332384 894625854 /nfs/dbraw/zinc/62/58/54/894625854.db2.gz SYFFTXOHMUHAFW-HSZRJFAPSA-N 0 1 404.501 4.163 20 0 HIADMN CC(C)[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cc(F)ccc1F ZINC000479337978 894631462 /nfs/dbraw/zinc/63/14/62/894631462.db2.gz UHAZUOCYADRFEY-KNQAVFIVSA-N 0 1 402.485 4.361 20 0 HIADMN CC(=O)Nc1sc(NC(=O)c2cn[nH]c2-c2ccccc2)nc1-c1ccccc1 ZINC000479344349 894639388 /nfs/dbraw/zinc/63/93/88/894639388.db2.gz DFTDGHKRGDROPV-UHFFFAOYSA-N 0 1 403.467 4.411 20 0 HIADMN COc1c(Br)cccc1CNCc1cccc(COC2CCOCC2)c1 ZINC000479385964 894688130 /nfs/dbraw/zinc/68/81/30/894688130.db2.gz ZMAYZBNGFSECCP-UHFFFAOYSA-N 0 1 420.347 4.443 20 0 HIADMN CCS(=O)(=O)c1c(Cl)cccc1CNCCCOc1cccc2cccnc21 ZINC000479387763 894689306 /nfs/dbraw/zinc/68/93/06/894689306.db2.gz IVKIFGFSYCCSFP-UHFFFAOYSA-N 0 1 418.946 4.241 20 0 HIADMN CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000479402539 894706600 /nfs/dbraw/zinc/70/66/00/894706600.db2.gz QBUOQKUAPQWKGD-LPHOPBHVSA-N 0 1 416.543 4.065 20 0 HIADMN O=C1[C@H](N[C@@H]2CCCc3nn(-c4ccccc4)cc32)CCN1c1ccccc1Cl ZINC000479407216 894711974 /nfs/dbraw/zinc/71/19/74/894711974.db2.gz AXBWJYZZPAPGKJ-TZIWHRDSSA-N 0 1 406.917 4.298 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N2CCC[C@H](Nc3ccccc3)C2)N2CCCC2)c1 ZINC000479406799 894712011 /nfs/dbraw/zinc/71/20/11/894712011.db2.gz IHIVWOVWOZYBEO-LADGPHEKSA-N 0 1 422.573 4.118 20 0 HIADMN CC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccc(Br)cc1C(F)(F)F ZINC000479406666 894713315 /nfs/dbraw/zinc/71/33/15/894713315.db2.gz JNZVBCWTSSXSFQ-QMTHXVAHSA-N 0 1 416.303 4.332 20 0 HIADMN COc1ccc([C@@H](CNC(=O)NCc2nc(C(C)C)cs2)N2CCCCC2)cc1 ZINC000479414959 894723599 /nfs/dbraw/zinc/72/35/99/894723599.db2.gz MBQXKGBXOGNZJV-HXUWFJFHSA-N 0 1 416.591 4.302 20 0 HIADMN O=S(=O)(CCN[C@@H]1CCCc2cc(Br)ccc21)c1ccc(F)cc1 ZINC000479420682 894732038 /nfs/dbraw/zinc/73/20/38/894732038.db2.gz RHWUXVFSLVPIDM-GOSISDBHSA-N 0 1 412.324 4.029 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CN[C@H](CO)c1cccc(Br)c1 ZINC000479433179 894748504 /nfs/dbraw/zinc/74/85/04/894748504.db2.gz YVKFSDCLQFZSOI-HXUWFJFHSA-N 0 1 413.315 4.343 20 0 HIADMN O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1cc(Br)cc2nc[nH]c21 ZINC000505241262 913900285 /nfs/dbraw/zinc/90/02/85/913900285.db2.gz XGZJWSLHVXGHSD-YPFXGUDJSA-N 0 1 406.230 4.280 20 0 HIADMN COC(=O)[C@@H](Nc1ccc(CCN2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000479453226 894772860 /nfs/dbraw/zinc/77/28/60/894772860.db2.gz MDLRJOCZCIRXFV-FQEVSTJZSA-N 0 1 423.340 4.194 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cnn(-c4ccc(Cl)cc4Cl)c3)n2)o1 ZINC000479469598 894791495 /nfs/dbraw/zinc/79/14/95/894791495.db2.gz HXCNXACIVMGNDL-UHFFFAOYSA-N 0 1 403.229 4.118 20 0 HIADMN C[C@H](NCC1(S(C)(=O)=O)CCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000479476044 894800242 /nfs/dbraw/zinc/80/02/42/894800242.db2.gz BPGGYUAZXGGEQK-JTQLQIEISA-N 0 1 403.388 4.342 20 0 HIADMN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479480660 894803235 /nfs/dbraw/zinc/80/32/35/894803235.db2.gz OSQPAJTTZZHIDD-CQSZACIVSA-N 0 1 413.524 4.392 20 0 HIADMN COC(=O)[C@H](Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000479482020 894804271 /nfs/dbraw/zinc/80/42/71/894804271.db2.gz IXOBZLORCQQEKJ-QGZVFWFLSA-N 0 1 408.285 4.239 20 0 HIADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000479487104 894807896 /nfs/dbraw/zinc/80/78/96/894807896.db2.gz YPIJEKRVYKKRBQ-UHFFFAOYSA-N 0 1 418.469 4.059 20 0 HIADMN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 ZINC000479488168 894809732 /nfs/dbraw/zinc/80/97/32/894809732.db2.gz JOZDHTMBALLPMX-UHFFFAOYSA-N 0 1 416.449 4.255 20 0 HIADMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(OC)c1C ZINC000479489447 894810709 /nfs/dbraw/zinc/81/07/09/894810709.db2.gz MJHRAYBNCCYUHI-UHFFFAOYSA-N 0 1 413.923 4.182 20 0 HIADMN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(Br)cc2F)c1C1CC1 ZINC000479498638 894815913 /nfs/dbraw/zinc/81/59/13/894815913.db2.gz DOPOSLOCNQEKLP-JTQLQIEISA-N 0 1 416.316 4.434 20 0 HIADMN Cc1cc(Br)cc(Cl)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000479514144 894827174 /nfs/dbraw/zinc/82/71/74/894827174.db2.gz RRDOYYISVXHZIK-LBPRGKRZSA-N 0 1 423.742 4.426 20 0 HIADMN Cn1ccc([C@@H](NCCc2cccc(OCC(F)(F)F)c2)c2ccc(F)cc2)n1 ZINC000479525719 894835148 /nfs/dbraw/zinc/83/51/48/894835148.db2.gz VRQGGPRJGUOZJJ-FQEVSTJZSA-N 0 1 407.411 4.422 20 0 HIADMN Cn1ccc([C@H](NCCc2cccc(OCC(F)(F)F)c2)c2ccc(F)cc2)n1 ZINC000479525721 894835196 /nfs/dbraw/zinc/83/51/96/894835196.db2.gz VRQGGPRJGUOZJJ-HXUWFJFHSA-N 0 1 407.411 4.422 20 0 HIADMN CN1Cc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)ccc2NC1=O ZINC000479533471 894839053 /nfs/dbraw/zinc/83/90/53/894839053.db2.gz RXZSDIJSPXCFAU-UHFFFAOYSA-N 0 1 419.812 4.137 20 0 HIADMN C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000479542384 894844443 /nfs/dbraw/zinc/84/44/43/894844443.db2.gz MIXLLJPMLUBOPH-FZKQIMNGSA-N 0 1 423.435 4.253 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CNCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000479561372 894859086 /nfs/dbraw/zinc/85/90/86/894859086.db2.gz USZRDDKFBCCVCA-XMMPIXPASA-N 0 1 417.509 4.165 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CN[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000479568612 894863419 /nfs/dbraw/zinc/86/34/19/894863419.db2.gz IJQALKSVAUUEHF-VWLOTQADSA-N 0 1 417.553 4.229 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1Cl ZINC000479575855 894867694 /nfs/dbraw/zinc/86/76/94/894867694.db2.gz SUARCUPVYAZLBE-UHFFFAOYSA-N 0 1 414.817 4.299 20 0 HIADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000479621281 894889927 /nfs/dbraw/zinc/88/99/27/894889927.db2.gz WLAWMFIEPIOWAG-WOJBJXKFSA-N 0 1 404.341 4.273 20 0 HIADMN CC(C)c1csc(CNC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000479662359 894938425 /nfs/dbraw/zinc/93/84/25/894938425.db2.gz DEARVRZCUYGPPR-UHFFFAOYSA-N 0 1 410.547 4.141 20 0 HIADMN CC(C)[C@@](C)(NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1 ZINC000479709535 895006695 /nfs/dbraw/zinc/00/66/95/895006695.db2.gz YJQFSEZDNQMMNB-VQIMIIECSA-N 0 1 405.340 4.420 20 0 HIADMN COc1ccc2ccccc2c1-c1cc(CNC(=O)[C@H](C)N2CCCCCC2)on1 ZINC000479756192 895055874 /nfs/dbraw/zinc/05/58/74/895055874.db2.gz PIVFJMWCEBOLKY-KRWDZBQOSA-N 0 1 407.514 4.384 20 0 HIADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000479782094 895084440 /nfs/dbraw/zinc/08/44/40/895084440.db2.gz PDRNRQJYBXYLKF-IBGZPJMESA-N 0 1 414.469 4.329 20 0 HIADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ncccc1OCC(F)(F)F ZINC000479786668 895088961 /nfs/dbraw/zinc/08/89/61/895088961.db2.gz VHMALPWNGWEQFO-HNNXBMFYSA-N 0 1 406.364 4.003 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1nnc(SCc3cccs3)s1)C2 ZINC000479794385 895099619 /nfs/dbraw/zinc/09/96/19/895099619.db2.gz GGTIJBRRQCUIRV-LLVKDONJSA-N 0 1 419.601 4.482 20 0 HIADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000479814610 895125516 /nfs/dbraw/zinc/12/55/16/895125516.db2.gz IUKSPWHJKAXCJE-KBXCAEBGSA-N 0 1 423.326 4.313 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2c(C)onc2-c2ccccn2)N2CCCCC2)cc1 ZINC000479818637 895131523 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CC(C)c1nc(C2CCN(C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)no1 ZINC000505287311 913946516 /nfs/dbraw/zinc/94/65/16/913946516.db2.gz JULHFUMDTBHMIZ-CQSZACIVSA-N 0 1 414.333 4.119 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H](C)c2ccccn2)CC1 ZINC000479887438 895233011 /nfs/dbraw/zinc/23/30/11/895233011.db2.gz FVSROMKKPTWPOB-INIZCTEOSA-N 0 1 401.942 4.102 20 0 HIADMN Cc1cc(Br)cc(Cl)c1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000479892027 895239519 /nfs/dbraw/zinc/23/95/19/895239519.db2.gz ZHYKOOLITJBYNW-UHFFFAOYSA-N 0 1 422.754 4.200 20 0 HIADMN CCc1nc(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)o1 ZINC000505289755 913948966 /nfs/dbraw/zinc/94/89/66/913948966.db2.gz LJPQTUPPZMESGW-UHFFFAOYSA-N 0 1 418.541 4.116 20 0 HIADMN Cc1c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)nnn1Cc1ccc(F)cc1F ZINC000479931553 895279751 /nfs/dbraw/zinc/27/97/51/895279751.db2.gz ZBCSDXQGERRUQI-UHFFFAOYSA-N 0 1 422.439 4.309 20 0 HIADMN CCCN(C[C@H]1CCCCO1)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000479966886 895322260 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Cc1ccc(O[C@H](C)CN[C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000480201970 895599993 /nfs/dbraw/zinc/59/99/93/895599993.db2.gz XKCMYJMYTWYVGG-KDOFPFPSSA-N 0 1 424.360 4.033 20 0 HIADMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2c(C)cc(Br)cc2C)c1C ZINC000480217366 895620756 /nfs/dbraw/zinc/62/07/56/895620756.db2.gz MNJNWOJKOZOMEW-GFCCVEGCSA-N 0 1 400.342 4.343 20 0 HIADMN COc1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480237719 895646540 /nfs/dbraw/zinc/64/65/40/895646540.db2.gz YWXMPPWWXIUPGO-UHFFFAOYSA-N 0 1 403.422 4.388 20 0 HIADMN Cc1c([C@@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241299 895652013 /nfs/dbraw/zinc/65/20/13/895652013.db2.gz OHNSMGHBILRVGL-HSALFYBXSA-N 0 1 419.573 4.036 20 0 HIADMN C[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccccc1I ZINC000480252887 895664825 /nfs/dbraw/zinc/66/48/25/895664825.db2.gz GMJWKWDTGKDOTO-HNNXBMFYSA-N 0 1 417.294 4.387 20 0 HIADMN CC(C)N(C)c1ccc(CN[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cn1 ZINC000480259650 895668394 /nfs/dbraw/zinc/66/83/94/895668394.db2.gz HHFOLRAHYSUXNN-HSZRJFAPSA-N 0 1 402.542 4.266 20 0 HIADMN COC1(C[NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CCCCC1 ZINC000480258217 895668466 /nfs/dbraw/zinc/66/84/66/895668466.db2.gz FPFNJPRVBOMSGJ-UHFFFAOYSA-N 0 1 406.523 4.065 20 0 HIADMN CN(C)C(=O)c1cccc(CN[C@@H]2CCSc3ccc(Br)cc32)c1 ZINC000480265837 895673620 /nfs/dbraw/zinc/67/36/20/895673620.db2.gz OYDFXVZXQLEHJW-QGZVFWFLSA-N 0 1 405.361 4.478 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cc(Br)c(Cl)s2)cc1 ZINC000480274353 895681070 /nfs/dbraw/zinc/68/10/70/895681070.db2.gz MSFRCXHBIJDWRQ-NSHDSACASA-N 0 1 422.797 4.424 20 0 HIADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000480273247 895681243 /nfs/dbraw/zinc/68/12/43/895681243.db2.gz GKRZVYZQICMPHV-LSDHHAIUSA-N 0 1 415.584 4.438 20 0 HIADMN CN(C)C(=O)c1cccc(CN[C@@H]2CCCOc3cc(Br)ccc32)c1 ZINC000480278564 895684331 /nfs/dbraw/zinc/68/43/31/895684331.db2.gz PELRYEDLGARBHC-GOSISDBHSA-N 0 1 403.320 4.154 20 0 HIADMN COc1ccc(C(=O)N2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c(OC2CCCC2)c1 ZINC000480325801 895728220 /nfs/dbraw/zinc/72/82/20/895728220.db2.gz IVCQCSUBCQOGLX-GOSISDBHSA-N 0 1 423.557 4.488 20 0 HIADMN CCCOc1ccc(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)c(OC(C)C)c1 ZINC000480426696 895822078 /nfs/dbraw/zinc/82/20/78/895822078.db2.gz RWUPGERKLLPGCI-UHFFFAOYSA-N 0 1 408.502 4.020 20 0 HIADMN Cc1c([C@H](C)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cnn1-c1ccc(F)cc1 ZINC000480444078 895833252 /nfs/dbraw/zinc/83/32/52/895833252.db2.gz UVLCDIJNZVZMJN-DFBJGRDBSA-N 0 1 422.548 4.352 20 0 HIADMN CCc1cc(=O)[nH]c(-c2ccc(NC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)nc2)n1 ZINC000480500125 895869799 /nfs/dbraw/zinc/86/97/99/895869799.db2.gz KHWODHBECPGWIL-OAQYLSRUSA-N 0 1 403.530 4.129 20 0 HIADMN COC(=O)c1csc(-c2cccc(CNCc3ccc(Br)cn3)c2)n1 ZINC000480503555 895872291 /nfs/dbraw/zinc/87/22/91/895872291.db2.gz YHFCIJCYUUWSNT-UHFFFAOYSA-N 0 1 418.316 4.044 20 0 HIADMN COc1cccc(-c2cc(C(=O)N(C)Cc3cc(Br)cs3)n[nH]2)c1 ZINC000480507021 895875749 /nfs/dbraw/zinc/87/57/49/895875749.db2.gz ZIEKYQXBDAUOPF-UHFFFAOYSA-N 0 1 406.305 4.182 20 0 HIADMN Fc1ccccc1COc1ccc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cn1 ZINC000480537233 895899000 /nfs/dbraw/zinc/89/90/00/895899000.db2.gz NMODEAWGVQFXFG-LJQANCHMSA-N 0 1 417.488 4.222 20 0 HIADMN COc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(OC2CCCC2)c1 ZINC000480546431 895907018 /nfs/dbraw/zinc/90/70/18/895907018.db2.gz GIWQTHJWQIHZMX-INIZCTEOSA-N 0 1 410.518 4.032 20 0 HIADMN Cc1ccccc1-n1ncc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1C(C)C ZINC000480550680 895912234 /nfs/dbraw/zinc/91/22/34/895912234.db2.gz MFNGYMXZHJVCIY-GOSISDBHSA-N 0 1 418.545 4.319 20 0 HIADMN CCN(C[C@H]1CCN(Cc2nc3ccc(Br)cc3[nH]2)C1)CC(F)(F)F ZINC000480559463 895919671 /nfs/dbraw/zinc/91/96/71/895919671.db2.gz UUCRYHRNWOSUDL-GFCCVEGCSA-N 0 1 419.289 4.032 20 0 HIADMN COc1cc(OC)c([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1Cl ZINC000480601498 895966578 /nfs/dbraw/zinc/96/65/78/895966578.db2.gz AMSSJOGOLNESDA-XHSDSOJGSA-N 0 1 419.953 4.217 20 0 HIADMN CCNC(=O)c1ccc(CN[C@@H](C)c2ccc(OC(F)F)cc2OC(F)F)cc1 ZINC000480605557 895969553 /nfs/dbraw/zinc/96/95/53/895969553.db2.gz WJXGRERIIPBUNY-LBPRGKRZSA-N 0 1 414.399 4.490 20 0 HIADMN Cc1c([C@@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnn1-c1ccc(F)cc1 ZINC000480609918 895975445 /nfs/dbraw/zinc/97/54/45/895975445.db2.gz DUBHJKQJWDJXBS-FGTMMUONSA-N 0 1 423.536 4.179 20 0 HIADMN C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(Cl)cc1Cl ZINC000480631639 896000916 /nfs/dbraw/zinc/00/09/16/896000916.db2.gz RRELOOVXOCHKKO-HNNXBMFYSA-N 0 1 406.357 4.232 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3Cc3ccc(F)cc3)n2)cc1 ZINC000480662252 896029847 /nfs/dbraw/zinc/02/98/47/896029847.db2.gz JTCQOCMCWPISSB-LJQANCHMSA-N 0 1 410.518 4.245 20 0 HIADMN Cc1ccc(CN(C)C)cc1N[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480678103 896041145 /nfs/dbraw/zinc/04/11/45/896041145.db2.gz SAVPXXAGXWMGBT-QGZVFWFLSA-N 0 1 423.376 4.150 20 0 HIADMN Cc1ccc(CN(C)C)cc1N[C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000480678101 896041796 /nfs/dbraw/zinc/04/17/96/896041796.db2.gz SAVPXXAGXWMGBT-KRWDZBQOSA-N 0 1 423.376 4.150 20 0 HIADMN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(SCC(F)(F)F)cc1 ZINC000480707437 896068801 /nfs/dbraw/zinc/06/88/01/896068801.db2.gz QZBIBWDLUGOOKS-OAHLLOKOSA-N 0 1 411.493 4.423 20 0 HIADMN O=S1(=O)CCCN1c1ccc(CN[C@H]2CCCOc3ccc(Cl)cc32)cc1F ZINC000480706939 896069011 /nfs/dbraw/zinc/06/90/11/896069011.db2.gz JONZWRTZDHRBPV-SFHVURJKSA-N 0 1 424.925 4.023 20 0 HIADMN C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(SCC(F)(F)F)cc1 ZINC000480707436 896069424 /nfs/dbraw/zinc/06/94/24/896069424.db2.gz QZBIBWDLUGOOKS-HNNXBMFYSA-N 0 1 411.493 4.423 20 0 HIADMN C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000480709790 896073130 /nfs/dbraw/zinc/07/31/30/896073130.db2.gz NOHPJIPBGNHRRK-WMZHIEFXSA-N 0 1 418.541 4.013 20 0 HIADMN C[C@@H]1C[C@@H](NCc2cccc(N3CCOCC3)n2)c2cccc(Br)c21 ZINC000480726573 896086325 /nfs/dbraw/zinc/08/63/25/896086325.db2.gz MMNQWXHSRWKNIV-RDTXWAMCSA-N 0 1 402.336 4.019 20 0 HIADMN Cc1cc(OCc2ccccc2)ccc1NC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000505370727 914033298 /nfs/dbraw/zinc/03/32/98/914033298.db2.gz PZQKSTMHJZHIKO-QFIPXVFZSA-N 0 1 423.557 4.150 20 0 HIADMN CC(=O)N1CCN(c2ccccc2CN[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000480808487 896176281 /nfs/dbraw/zinc/17/62/81/896176281.db2.gz SVNZNPKWHSIFGF-AREMUKBSSA-N 0 1 417.528 4.373 20 0 HIADMN O=C(NCc1ccc(OC2CCCC2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000505380827 914045802 /nfs/dbraw/zinc/04/58/02/914045802.db2.gz UTTVQJXLTVMPAA-SFHVURJKSA-N 0 1 409.534 4.093 20 0 HIADMN O=C(Cn1cccn1)Nc1cccc(CN[C@@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000480876770 896234022 /nfs/dbraw/zinc/23/40/22/896234022.db2.gz HANZRNDMXFWQLZ-HXUWFJFHSA-N 0 1 410.905 4.179 20 0 HIADMN COc1cc(OC)c([C@@H](C)NCCCS(=O)(=O)Cc2ccccc2)cc1Cl ZINC000480888766 896245292 /nfs/dbraw/zinc/24/52/92/896245292.db2.gz ZEAQFFALULPQML-OAHLLOKOSA-N 0 1 411.951 4.013 20 0 HIADMN C[C@H](N[C@H]1CCSc2ccc(F)cc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480889171 896246146 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JXLMCIZARUOUER-HDICACEKSA-N 0 1 411.546 4.243 20 0 HIADMN COc1ccc(NC(=O)C[C@@H]2C=CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000489747112 903574849 /nfs/dbraw/zinc/57/48/49/903574849.db2.gz QZFBCBQLPSLRMG-OAHLLOKOSA-N 0 1 418.490 4.320 20 0 HIADMN CNC(=O)[C@H](CCSC)N[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000489858682 903635073 /nfs/dbraw/zinc/63/50/73/903635073.db2.gz LQMYUFCUMXKZST-RNCFNFMXSA-N 0 1 402.404 4.243 20 0 HIADMN Cc1cc(F)ccc1C1CCN(C(=O)NCc2ccc(CN(C)C)c(F)c2)CC1 ZINC000489942580 903688616 /nfs/dbraw/zinc/68/86/16/903688616.db2.gz FJJJJOKCKCATKH-UHFFFAOYSA-N 0 1 401.501 4.424 20 0 HIADMN O=C(CN1CCC[C@H](Nc2ccccc2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000490043447 903740191 /nfs/dbraw/zinc/74/01/91/903740191.db2.gz QFGZFJUFWKTIKS-QFIPXVFZSA-N 0 1 414.553 4.360 20 0 HIADMN Cc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)C2)cc1 ZINC000490060839 903749809 /nfs/dbraw/zinc/74/98/09/903749809.db2.gz JHTYRWDTZKWTML-GMAHTHKFSA-N 0 1 406.570 4.037 20 0 HIADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000490061221 903751154 /nfs/dbraw/zinc/75/11/54/903751154.db2.gz NZCOOOQXXKZPDM-GOSISDBHSA-N 0 1 420.498 4.077 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000490098519 903770190 /nfs/dbraw/zinc/77/01/90/903770190.db2.gz CKCMVXLWRPTFKT-IBGZPJMESA-N 0 1 412.921 4.401 20 0 HIADMN C[C@H](CN1CCCC1=O)N[C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000490115125 903773661 /nfs/dbraw/zinc/77/36/61/903773661.db2.gz VCZCGEMJMFNBQB-VLIAUNLRSA-N 0 1 405.311 4.278 20 0 HIADMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000490120685 903776715 /nfs/dbraw/zinc/77/67/15/903776715.db2.gz WAHPVHBLINQIMT-IERDGZPVSA-N 0 1 423.582 4.391 20 0 HIADMN COc1ccc([C@H](NCc2cccc(OCC(=O)N(C)C)c2)c2ccc(F)cc2)cc1 ZINC000490120705 903776856 /nfs/dbraw/zinc/77/68/56/903776856.db2.gz WGPMFWRDAJWZRY-RUZDIDTESA-N 0 1 422.500 4.181 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2F)nc1)c1ccsc1 ZINC000490145175 903791543 /nfs/dbraw/zinc/79/15/43/903791543.db2.gz JKTNMDCINUIAQC-KRWDZBQOSA-N 0 1 400.479 4.499 20 0 HIADMN Cc1ccc([C@H](NCCOC2CCCCC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000490150958 903794638 /nfs/dbraw/zinc/79/46/38/903794638.db2.gz ODRPWDRPIXYJEC-QHCPKHFHSA-N 0 1 401.572 4.427 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)N3CCCCC3)c2)n[nH]1 ZINC000490160245 903801169 /nfs/dbraw/zinc/80/11/69/903801169.db2.gz XLDZMQDGHBFHCX-HOCLYGCPSA-N 0 1 412.538 4.135 20 0 HIADMN COc1ccc([C@@H](NCc2ccc(N3CCO[C@H](C)C3)nc2)c2ccccc2)cc1 ZINC000490173937 903811722 /nfs/dbraw/zinc/81/17/22/903811722.db2.gz ZHQLVCBIOOPFLO-CLOONOSVSA-N 0 1 403.526 4.195 20 0 HIADMN CC1CCN(CCN[C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000490191027 903818798 /nfs/dbraw/zinc/81/87/98/903818798.db2.gz OXPHFKAEACYXRK-QFIPXVFZSA-N 0 1 421.006 4.154 20 0 HIADMN CCCS(=O)(=O)NC1CCN([C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000490201167 903824117 /nfs/dbraw/zinc/82/41/17/903824117.db2.gz IAQGAKPZPFXKNY-GOSISDBHSA-N 0 1 402.560 4.334 20 0 HIADMN Cc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1C(=O)N1CCCCC1 ZINC000490202754 903825590 /nfs/dbraw/zinc/82/55/90/903825590.db2.gz PIIAYDAMSDSCCZ-NRFANRHFSA-N 0 1 424.545 4.173 20 0 HIADMN Brc1cccc2c1CCC[C@@H]2NCc1ccncc1OC[C@H]1CCOC1 ZINC000490236512 903845472 /nfs/dbraw/zinc/84/54/72/903845472.db2.gz GFTZVKPNULPRKA-YWZLYKJASA-N 0 1 417.347 4.427 20 0 HIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(OCC(F)(F)F)nc1 ZINC000490245919 903850416 /nfs/dbraw/zinc/85/04/16/903850416.db2.gz OGFMGOLPYFQZCS-UHFFFAOYSA-N 0 1 404.270 4.170 20 0 HIADMN CN(C)[C@@H](CNC(=O)C1(c2cc(F)cc(Br)c2)CC1)c1cccc(F)c1 ZINC000506056565 914757685 /nfs/dbraw/zinc/75/76/85/914757685.db2.gz VNNMEXWOAXYBAP-SFHVURJKSA-N 0 1 423.301 4.178 20 0 HIADMN Cc1cc(Br)cc2c1[C@H](NCc1ccncc1OC[C@H]1CCOC1)CC2 ZINC000490295876 903884298 /nfs/dbraw/zinc/88/42/98/903884298.db2.gz AXNSBKUHGQGJRS-HNAYVOBHSA-N 0 1 417.347 4.345 20 0 HIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000490297682 903885102 /nfs/dbraw/zinc/88/51/02/903885102.db2.gz CZQOIBLLDWMBSX-UHFFFAOYSA-N 0 1 416.403 4.073 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)[nH]c2c1 ZINC000490298866 903886587 /nfs/dbraw/zinc/88/65/87/903886587.db2.gz KJVTWMDIFXTYBC-VGOFRKELSA-N 0 1 421.520 4.383 20 0 HIADMN COc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1OC(F)F ZINC000490301750 903889532 /nfs/dbraw/zinc/88/95/32/903889532.db2.gz QGGZKIBTVCRHEQ-UHFFFAOYSA-N 0 1 401.291 4.444 20 0 HIADMN COc1ccc(-c2cc3[nH]c(-c4cccc(OC[C@H](C)O)c4)nc(=O)c3s2)cc1 ZINC000506056927 914760912 /nfs/dbraw/zinc/76/09/12/914760912.db2.gz QCGUSMAPBMKWDY-ZDUSSCGKSA-N 0 1 408.479 4.087 20 0 HIADMN COc1ccc(-c2cc3[nH]c(-c4cccc(OC[C@@H](C)O)c4)nc(=O)c3s2)cc1 ZINC000506056926 914761891 /nfs/dbraw/zinc/76/18/91/914761891.db2.gz QCGUSMAPBMKWDY-CYBMUJFWSA-N 0 1 408.479 4.087 20 0 HIADMN Cc1sc([C@H](C)NC(=O)CN(C)[C@@H]2CCSC2)nc1-c1ccc(Cl)cc1 ZINC000490398820 903984367 /nfs/dbraw/zinc/98/43/67/903984367.db2.gz NJGMLTSFPPCFQA-BLLLJJGKSA-N 0 1 410.008 4.386 20 0 HIADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)[nH]c1-c1ccccc1 ZINC000490418500 903997527 /nfs/dbraw/zinc/99/75/27/903997527.db2.gz RAHQRJKOZKQKDC-AWEZNQCLSA-N 0 1 417.918 4.148 20 0 HIADMN CCOc1ccc(-c2nc(CS(=O)(=O)c3nc(C)c(-c4ccccc4)[nH]3)co2)cc1 ZINC000490418124 903997684 /nfs/dbraw/zinc/99/76/84/903997684.db2.gz MZQDNZMMOUVNNA-UHFFFAOYSA-N 0 1 423.494 4.413 20 0 HIADMN Cc1nc(S(=O)(=O)Cc2ccc(F)c(Br)c2)[nH]c1-c1ccccc1 ZINC000490463248 904023718 /nfs/dbraw/zinc/02/37/18/904023718.db2.gz DJOVJTCBVPKBLL-UHFFFAOYSA-N 0 1 409.280 4.261 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cc(F)cc(Br)c1F)c1ccc(F)cc1 ZINC000490473866 904028786 /nfs/dbraw/zinc/02/87/86/904028786.db2.gz XVZGJHRERNSNAA-OAHLLOKOSA-N 0 1 416.241 4.291 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1cc(F)cc(Br)c1F ZINC000490496279 904048132 /nfs/dbraw/zinc/04/81/32/904048132.db2.gz QBACSAYZKLGHKS-UHFFFAOYSA-N 0 1 401.255 4.412 20 0 HIADMN COc1ccccc1-c1ncc(CNCc2ccc(N3CCC(C)CC3)nc2)cn1 ZINC000490557064 904099211 /nfs/dbraw/zinc/09/92/11/904099211.db2.gz PELXOPVCVVCHFH-UHFFFAOYSA-N 0 1 403.530 4.073 20 0 HIADMN COc1ccccc1-c1ncc(CNCc2ccc(OCC(F)(F)F)cc2)cn1 ZINC000490566208 904105347 /nfs/dbraw/zinc/10/53/47/904105347.db2.gz GTUZRDWLBZAULQ-UHFFFAOYSA-N 0 1 403.404 4.383 20 0 HIADMN Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1 ZINC000490580746 904113138 /nfs/dbraw/zinc/11/31/38/904113138.db2.gz BDLMPOCZCYSIDL-UHFFFAOYSA-N 0 1 412.375 4.237 20 0 HIADMN COc1ccc(CCC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1OC ZINC000490610400 904134247 /nfs/dbraw/zinc/13/42/47/904134247.db2.gz QXZWGMAGKBEPHK-UHFFFAOYSA-N 0 1 420.391 4.079 20 0 HIADMN CCN(c1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cn1)C(C)C ZINC000490613067 904137212 /nfs/dbraw/zinc/13/72/12/904137212.db2.gz WDXYUTLFBGOOTL-UHFFFAOYSA-N 0 1 418.423 4.373 20 0 HIADMN CC(C)(CCNC(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C1CC1 ZINC000490667543 904164302 /nfs/dbraw/zinc/16/43/02/904164302.db2.gz DIHGHPIBFZUKBI-UHFFFAOYSA-N 0 1 417.513 4.020 20 0 HIADMN CC(C)(CCNC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C1CC1 ZINC000490667543 904164314 /nfs/dbraw/zinc/16/43/14/904164314.db2.gz DIHGHPIBFZUKBI-UHFFFAOYSA-N 0 1 417.513 4.020 20 0 HIADMN COc1ccc([C@H](CNC(=O)N[C@@H](c2ccccc2C)C2CC2)N(C)C)cc1OC ZINC000490875306 904298791 /nfs/dbraw/zinc/29/87/91/904298791.db2.gz GXZWMPLUVKVFQC-NZQKXSOJSA-N 0 1 411.546 4.065 20 0 HIADMN CCn1c2cc(F)ccc2nc1NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000490929904 904323741 /nfs/dbraw/zinc/32/37/41/904323741.db2.gz ZOJDOGIWLLIDEG-UHFFFAOYSA-N 0 1 410.478 4.020 20 0 HIADMN Cc1nn(C)c2ncc(CN(Cc3cc(C)nc(N4CCCCC4)n3)CC(C)C)cc12 ZINC000491028401 904379112 /nfs/dbraw/zinc/37/91/12/904379112.db2.gz NOGYZWYSPJDLNS-UHFFFAOYSA-N 0 1 421.593 4.024 20 0 HIADMN Cc1nc2n(n1)C[C@H](N[C@H](c1ccccc1)c1ccc(Br)cc1F)CC2 ZINC000491038955 904390825 /nfs/dbraw/zinc/39/08/25/904390825.db2.gz QJWKHJCLSNXTNQ-OXQOHEQNSA-N 0 1 415.310 4.182 20 0 HIADMN C[C@@H](NC(=O)N1Cc2cccc(Cl)c2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000491050996 904395843 /nfs/dbraw/zinc/39/58/43/904395843.db2.gz INYZSBXAGKNGGT-OAHLLOKOSA-N 0 1 416.928 4.017 20 0 HIADMN CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCn2cc(C)nc21)c1ccccc1Cl ZINC000506108277 914807127 /nfs/dbraw/zinc/80/71/27/914807127.db2.gz SWWDLAUZISKYGK-YLJYHZDGSA-N 0 1 417.985 4.105 20 0 HIADMN CCOc1c(Cl)cc(CN2CCC[C@H](c3nnc4ccccn43)C2)cc1OC ZINC000506128270 914815031 /nfs/dbraw/zinc/81/50/31/914815031.db2.gz CEOMGIUSEJTUHW-INIZCTEOSA-N 0 1 400.910 4.170 20 0 HIADMN Cc1nn(Cc2ccccc2)c(C)c1CN(C)Cc1ccccc1N1CCOCC1 ZINC000506124047 914812477 /nfs/dbraw/zinc/81/24/77/914812477.db2.gz DRSNVCXSCNOPTF-UHFFFAOYSA-N 0 1 404.558 4.017 20 0 HIADMN CC(C)N(C)C(=O)C1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000491182699 904470360 /nfs/dbraw/zinc/47/03/60/904470360.db2.gz NUCYMBDZUCQQGT-UHFFFAOYSA-N 0 1 404.352 4.076 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)N2CCCC2)cc1 ZINC000491193856 904475635 /nfs/dbraw/zinc/47/56/35/904475635.db2.gz GNIKCOJLWWADJL-JOCHJYFZSA-N 0 1 407.558 4.184 20 0 HIADMN COc1ccc(CN(CC(=O)Nc2ccccc2C(F)(F)F)[C@H](CO)C(C)C)cc1 ZINC000491261688 904507856 /nfs/dbraw/zinc/50/78/56/904507856.db2.gz VNMMYCJOAWBQBX-HXUWFJFHSA-N 0 1 424.463 4.172 20 0 HIADMN COc1ccc(-c2nc(CN3CCC[C@@H](c4nnc5ccccn54)C3)cs2)cc1 ZINC000506138880 914819651 /nfs/dbraw/zinc/81/96/51/914819651.db2.gz VEWFXHSWNZCSHP-QGZVFWFLSA-N 0 1 405.527 4.241 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CN[C@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC000491316112 904532309 /nfs/dbraw/zinc/53/23/09/904532309.db2.gz KDAHGVXUKIFEAX-RRQZXNHTSA-N 0 1 422.548 4.048 20 0 HIADMN CS(=O)(=O)c1cccc([C@@H](NCCc2ccccc2F)c2ccc(F)cc2F)c1 ZINC000491354702 904550516 /nfs/dbraw/zinc/55/05/16/904550516.db2.gz CCZCZVRFOHPIEF-JOCHJYFZSA-N 0 1 419.468 4.429 20 0 HIADMN COc1ccc([C@@H](N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)c2nccn2C)cc1 ZINC000491357210 904554440 /nfs/dbraw/zinc/55/44/40/904554440.db2.gz XCQFIHOLUBDZRD-MHECFPHRSA-N 0 1 400.526 4.455 20 0 HIADMN Cc1ccc(OCCN[C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491356869 904555015 /nfs/dbraw/zinc/55/50/15/904555015.db2.gz SCSGVQJRJSFAHH-XMMPIXPASA-N 0 1 409.551 4.465 20 0 HIADMN Cc1nc(CCN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)cs1 ZINC000491364756 904560474 /nfs/dbraw/zinc/56/04/74/904560474.db2.gz AXNNFAKTBNEION-FQEVSTJZSA-N 0 1 422.522 4.055 20 0 HIADMN CC[C@H](NCc1cnnn1Cc1ccccc1)c1cc(F)cc(Br)c1 ZINC000491390398 904573877 /nfs/dbraw/zinc/57/38/77/904573877.db2.gz USJXRNGMQAYLSJ-IBGZPJMESA-N 0 1 403.299 4.469 20 0 HIADMN Cn1c2ccccc2cc(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)c1=O ZINC000491460133 904608548 /nfs/dbraw/zinc/60/85/48/904608548.db2.gz WOKJNTNJIFBHQD-UHFFFAOYSA-N 0 1 400.526 4.312 20 0 HIADMN Cn1c2ccccc2cc(CNCc2cc3ccccc3nc2N2CCCCC2)c1=O ZINC000491471784 904615121 /nfs/dbraw/zinc/61/51/21/904615121.db2.gz OBWZRMSQNXGFJA-UHFFFAOYSA-N 0 1 412.537 4.367 20 0 HIADMN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000506164906 914830635 /nfs/dbraw/zinc/83/06/35/914830635.db2.gz PXPIHMUVCDHCTB-IYWMVGAKSA-N 0 1 401.576 4.001 20 0 HIADMN CN(c1ccccc1)c1ccc(CN[C@H](CO)c2ccc(Br)cc2)cn1 ZINC000491572508 904657117 /nfs/dbraw/zinc/65/71/17/904657117.db2.gz MZHHPAYPKRRSJR-HXUWFJFHSA-N 0 1 412.331 4.435 20 0 HIADMN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1cccc(Cl)c1Br ZINC000491582639 904661891 /nfs/dbraw/zinc/66/18/91/904661891.db2.gz ANLNKZCOPIOBQV-UHFFFAOYSA-N 0 1 412.696 4.089 20 0 HIADMN O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000506180522 914836146 /nfs/dbraw/zinc/83/61/46/914836146.db2.gz WYTUQTLHFJDAFE-QFIPXVFZSA-N 0 1 416.525 4.386 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H](C)n4ccc5ccccc5c4=O)C3)[nH]c2c1 ZINC000491829525 904704131 /nfs/dbraw/zinc/70/41/31/904704131.db2.gz DHTHIZKBFHXXPF-PKOBYXMFSA-N 0 1 414.509 4.153 20 0 HIADMN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000491884089 904720673 /nfs/dbraw/zinc/72/06/73/904720673.db2.gz YFLJFGHTLASDKF-CRAIPNDOSA-N 0 1 411.373 4.423 20 0 HIADMN CCCc1ccc(-c2ccc(NC(=O)C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc2)cc1 ZINC000491888751 904721040 /nfs/dbraw/zinc/72/10/40/904721040.db2.gz IGAOXTGWESRWTR-INIZCTEOSA-N 0 1 404.514 4.024 20 0 HIADMN C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)cs1 ZINC000491930115 904733536 /nfs/dbraw/zinc/73/35/36/904733536.db2.gz IOQPXLQAUNLLHZ-JTQLQIEISA-N 0 1 408.770 4.289 20 0 HIADMN C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(Br)cs1 ZINC000491930122 904734976 /nfs/dbraw/zinc/73/49/76/904734976.db2.gz IOQPXLQAUNLLHZ-SNVBAGLBSA-N 0 1 408.770 4.289 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cnc5c(F)cc(F)cc5c4O)C3)[nH]c2c1 ZINC000491939428 904737649 /nfs/dbraw/zinc/73/76/49/904737649.db2.gz MACJCQHEXUQFNT-ZDUSSCGKSA-N 0 1 422.435 4.011 20 0 HIADMN COc1cc(Br)c(CN[C@H](C)[C@@H]2OCCc3sccc32)cc1OC ZINC000492021212 904762882 /nfs/dbraw/zinc/76/28/82/904762882.db2.gz FMOKJSPRASUFFG-ZMZPIMSZSA-N 0 1 412.349 4.320 20 0 HIADMN COC[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc(Cl)cc1 ZINC000492049727 904775856 /nfs/dbraw/zinc/77/58/56/904775856.db2.gz SATMOJABAKWNNC-RBUKOAKNSA-N 0 1 405.926 4.147 20 0 HIADMN 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CCC[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)CCN1Cc1ccccc1 ZINC000497930061 907395451 /nfs/dbraw/zinc/39/54/51/907395451.db2.gz KWRLEVNYKPHHMU-GPXNEJASSA-N 0 1 424.589 4.055 20 0 HIADMN O=S(=O)(c1ccc(Cl)c2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000497937811 907403120 /nfs/dbraw/zinc/40/31/20/907403120.db2.gz WROXWJSVLUTCEO-CQSZACIVSA-N 0 1 416.934 4.057 20 0 HIADMN Cc1cccc2nc(CNC(=O)N(C)CCCc3cc(-c4ccccc4)no3)[nH]c21 ZINC000497936546 907403189 /nfs/dbraw/zinc/40/31/89/907403189.db2.gz FYCSBGOCCAAOCA-UHFFFAOYSA-N 0 1 403.486 4.301 20 0 HIADMN COc1ccc(CNC(=O)NCc2nc3cccc(C)c3[nH]2)c(OC2CCCC2)c1 ZINC000497951981 907421363 /nfs/dbraw/zinc/42/13/63/907421363.db2.gz RZQQHRAGHQOMMO-UHFFFAOYSA-N 0 1 408.502 4.201 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2sc(C(C)(C)C)nc2C)N2CCCC2)cc1 ZINC000497971356 907442718 /nfs/dbraw/zinc/44/27/18/907442718.db2.gz LMLITRGTTYKCIH-SFHVURJKSA-N 0 1 401.576 4.325 20 0 HIADMN O=C(Nc1nc(-c2cccs2)ns1)c1ccc(CN2CCSCC2)cc1 ZINC000497977606 907450540 /nfs/dbraw/zinc/45/05/40/907450540.db2.gz ULWSWZVKXGCYAE-UHFFFAOYSA-N 0 1 402.570 4.068 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3C)c2C)N2CCCC2)cc1 ZINC000497981019 907456363 /nfs/dbraw/zinc/45/63/63/907456363.db2.gz GNCLDQBGTUCOTM-XMMPIXPASA-N 0 1 418.541 4.065 20 0 HIADMN Cc1cn(-c2ccc(F)cc2)nc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000512823848 921327735 /nfs/dbraw/zinc/32/77/35/921327735.db2.gz YBXZFDVUHFNSPG-LJQANCHMSA-N 0 1 406.505 4.056 20 0 HIADMN CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccncc1 ZINC000498015961 907510467 /nfs/dbraw/zinc/51/04/67/907510467.db2.gz BCPSRDRDRHETMB-PMACEKPBSA-N 0 1 405.464 4.231 20 0 HIADMN C[C@H](c1ccccn1)N(C)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512825148 921330192 /nfs/dbraw/zinc/33/01/92/921330192.db2.gz BVJUXDQYOMEJCL-QAPCUYQASA-N 0 1 406.452 4.077 20 0 HIADMN C[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512826807 921331252 /nfs/dbraw/zinc/33/12/52/921331252.db2.gz KBJSJMCPAZJBSR-KXBFYZLASA-N 0 1 406.452 4.077 20 0 HIADMN C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512826604 921331791 /nfs/dbraw/zinc/33/17/91/921331791.db2.gz KBJSJMCPAZJBSR-BEFAXECRSA-N 0 1 406.452 4.077 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)N1CCCC1 ZINC000498036278 907541160 /nfs/dbraw/zinc/54/11/60/907541160.db2.gz PQDQYGHXLNNEES-DYXWJJEUSA-N 0 1 400.469 4.030 20 0 HIADMN CC[C@H](CNC(=O)CSc1ccc(C(F)(F)F)cn1)N1CCc2ccccc2C1 ZINC000498046483 907556463 /nfs/dbraw/zinc/55/64/63/907556463.db2.gz KRLCXDCEBKNZJA-GOSISDBHSA-N 0 1 423.504 4.146 20 0 HIADMN CC(C)[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(C)CC1 ZINC000498048784 907559655 /nfs/dbraw/zinc/55/96/55/907559655.db2.gz UIJKBLICKNKJGB-SFHVURJKSA-N 0 1 405.995 4.070 20 0 HIADMN C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000498068819 907577145 /nfs/dbraw/zinc/57/71/45/907577145.db2.gz XPQINTRNQPYBEJ-GHTZIAJQSA-N 0 1 401.551 4.035 20 0 HIADMN CN(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1Cc2ccccc2C1 ZINC000512836834 921340616 /nfs/dbraw/zinc/34/06/16/921340616.db2.gz COELAJYYCRIGQH-HXUWFJFHSA-N 0 1 417.475 4.089 20 0 HIADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000498145892 907669819 /nfs/dbraw/zinc/66/98/19/907669819.db2.gz ISEJWMAKJQPJQD-QFIPXVFZSA-N 0 1 412.961 4.169 20 0 HIADMN C[C@H](C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)[C@@H]1OCCc2sccc21 ZINC000498179233 907711811 /nfs/dbraw/zinc/71/18/11/907711811.db2.gz JJGRYIWZQQDIGS-KNBMTAEXSA-N 0 1 422.554 4.189 20 0 HIADMN CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)nc1 ZINC000498178866 907712092 /nfs/dbraw/zinc/71/20/92/907712092.db2.gz FYCRMYBJZHDDKV-QGZVFWFLSA-N 0 1 405.502 4.064 20 0 HIADMN O=C(c1c(Cl)cncc1Cl)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000498179658 907714471 /nfs/dbraw/zinc/71/44/71/907714471.db2.gz OFUYWATVVNADEJ-ZDUSSCGKSA-N 0 1 402.285 4.193 20 0 HIADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CCC[C@H]1c1ccncc1 ZINC000512844741 921346781 /nfs/dbraw/zinc/34/67/81/921346781.db2.gz JCGKMLFDCFXWDR-PMACEKPBSA-N 0 1 418.463 4.221 20 0 HIADMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000512845314 921349042 /nfs/dbraw/zinc/34/90/42/921349042.db2.gz KQGIQDAPXMBSEM-UHFFFAOYSA-N 0 1 404.451 4.224 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2c(C)cccc2F)CC1 ZINC000498218903 907747826 /nfs/dbraw/zinc/74/78/26/907747826.db2.gz NLGHBYWIGWXQOT-MRXNPFEDSA-N 0 1 402.489 4.298 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2c(C)cccc2F)CC1 ZINC000498218897 907747843 /nfs/dbraw/zinc/74/78/43/907747843.db2.gz NLGHBYWIGWXQOT-INIZCTEOSA-N 0 1 402.489 4.298 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC000498265589 907803015 /nfs/dbraw/zinc/80/30/15/907803015.db2.gz ANXFHYANFIOEAE-QZTJIDSGSA-N 0 1 423.582 4.155 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)Cc3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000498268603 907805262 /nfs/dbraw/zinc/80/52/62/907805262.db2.gz ONTHYOBLNYVNOH-PMACEKPBSA-N 0 1 402.538 4.308 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3cccc4ccccc43)cc2)C[C@H](C)O1 ZINC000498268602 907805467 /nfs/dbraw/zinc/80/54/67/907805467.db2.gz ONTHYOBLNYVNOH-BGYRXZFFSA-N 0 1 402.538 4.308 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)N1CCCCC1 ZINC000498272287 907808839 /nfs/dbraw/zinc/80/88/39/907808839.db2.gz OJCVDSBWWMUWOK-URVUXULASA-N 0 1 414.496 4.420 20 0 HIADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000498271406 907808850 /nfs/dbraw/zinc/80/88/50/907808850.db2.gz UWZAXTVDXBAABX-MRXNPFEDSA-N 0 1 424.936 4.068 20 0 HIADMN Cc1nc(C(C)(C)C)sc1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000498271625 907809218 /nfs/dbraw/zinc/80/92/18/907809218.db2.gz WOJUAKAKGSZESO-HZPDHXFCSA-N 0 1 415.603 4.288 20 0 HIADMN Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000498279540 907814899 /nfs/dbraw/zinc/81/48/99/907814899.db2.gz NNDZCAUASOKZJK-HOTGVXAUSA-N 0 1 410.489 4.420 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000498287717 907819577 /nfs/dbraw/zinc/81/95/77/907819577.db2.gz MUSVJSWUABGGHP-VQDLLJBESA-N 0 1 412.961 4.369 20 0 HIADMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000498298122 907826411 /nfs/dbraw/zinc/82/64/11/907826411.db2.gz FOOFNNVBTQWVNX-VWLOTQADSA-N 0 1 416.569 4.421 20 0 HIADMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)n1 ZINC000498300291 907827392 /nfs/dbraw/zinc/82/73/92/907827392.db2.gz VUKGEKWTJPUQEG-SNVBAGLBSA-N 0 1 407.257 4.193 20 0 HIADMN CN1CCO[C@@H]([C@H](NCc2ccc(Br)cc2)c2ccc(Cl)cc2)C1 ZINC000498360170 907857412 /nfs/dbraw/zinc/85/74/12/907857412.db2.gz XKXCYTQFAKOZQZ-RTBURBONSA-N 0 1 409.755 4.264 20 0 HIADMN CC[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)[C@@H](O)C(F)(F)F ZINC000498372869 907863431 /nfs/dbraw/zinc/86/34/31/907863431.db2.gz JBHGVOOSWYBIPT-DLBZAZTESA-N 0 1 400.828 4.384 20 0 HIADMN CN1CCO[C@H]([C@@H](NCc2ccc(Oc3cnccn3)cc2)c2ccc(Cl)cc2)C1 ZINC000498375066 907865229 /nfs/dbraw/zinc/86/52/29/907865229.db2.gz TWUGASYMEDFYQW-GMAHTHKFSA-N 0 1 424.932 4.084 20 0 HIADMN CCc1nc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)nn1-c1ccccc1Cl ZINC000498391362 907876084 /nfs/dbraw/zinc/87/60/84/907876084.db2.gz XIPDMXJNJSHRBR-QGZVFWFLSA-N 0 1 421.932 4.108 20 0 HIADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000498418184 907892689 /nfs/dbraw/zinc/89/26/89/907892689.db2.gz XRHJNVSIEMOVEM-UHFFFAOYSA-N 0 1 410.474 4.284 20 0 HIADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccccc3Sc3ccccc3)[nH]c21 ZINC000498447202 907911552 /nfs/dbraw/zinc/91/15/52/907911552.db2.gz FGBUANCVEYYRLW-UHFFFAOYSA-N 0 1 416.506 4.277 20 0 HIADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cccc(CSC4CCCC4)c3)[nH]c21 ZINC000498449248 907914047 /nfs/dbraw/zinc/91/40/47/907914047.db2.gz VYJCSJQGGHRCNO-UHFFFAOYSA-N 0 1 422.554 4.302 20 0 HIADMN CCC(C)(C)OCc1cccc(NC(=O)C(=O)NCc2nc3cccc(C)c3[nH]2)c1C ZINC000498479619 907948978 /nfs/dbraw/zinc/94/89/78/907948978.db2.gz ASEAFTLTJPMPPZ-UHFFFAOYSA-N 0 1 422.529 4.140 20 0 HIADMN COc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1Oc1ccc(C)nn1 ZINC000498481566 907950295 /nfs/dbraw/zinc/95/02/95/907950295.db2.gz PNNWMVFODSEQSO-UHFFFAOYSA-N 0 1 419.890 4.349 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)n[nH]1 ZINC000512865777 921367506 /nfs/dbraw/zinc/36/75/06/921367506.db2.gz FNTLKFAIUITEHJ-RKDXNWHRSA-N 0 1 405.371 4.176 20 0 HIADMN CCc1cccc2c(C(=O)[C@H](N[C@H]3CCC[C@H]3C(=O)NC)c3ccccc3)c[nH]c21 ZINC000498496727 907970068 /nfs/dbraw/zinc/97/00/68/907970068.db2.gz TTWIBBDGAPEBPL-UNWVZKJWSA-N 0 1 403.526 4.159 20 0 HIADMN CCN(CCc1cccs1)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498529506 907999242 /nfs/dbraw/zinc/99/92/42/907999242.db2.gz MSRCEFRKIXMBSG-YADHBBJMSA-N 0 1 413.587 4.309 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(OC)ccc3Cl)CCN2C2CC2)c1 ZINC000498534594 908002399 /nfs/dbraw/zinc/00/23/99/908002399.db2.gz AVLVSQUFVGMVJR-PZJWPPBQSA-N 0 1 415.921 4.457 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(OC(F)F)cc3)CCN2C2CC2)c1 ZINC000498534880 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20 0 HIADMN Cc1cc(C2CCN(C(=O)CCCOc3ccccc3Br)CC2)n[nH]1 ZINC000537542705 938319631 /nfs/dbraw/zinc/31/96/31/938319631.db2.gz FAHBGLFWMVAIDT-UHFFFAOYSA-N 0 1 406.324 4.046 20 0 HIADMN CCc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)[nH]c(C)c1C(C)=O ZINC000537544611 938319860 /nfs/dbraw/zinc/31/98/60/938319860.db2.gz VNRRIBHBFTYIJY-KRWDZBQOSA-N 0 1 411.550 4.274 20 0 HIADMN COc1ccc(Cl)cc1CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537548083 938320177 /nfs/dbraw/zinc/32/01/77/938320177.db2.gz CLCMOADWKAMFLQ-INIZCTEOSA-N 0 1 410.905 4.082 20 0 HIADMN CCC(CC)n1nc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1C ZINC000537549280 938320577 /nfs/dbraw/zinc/32/05/77/938320577.db2.gz VTUWEBCICJOXAT-SFHVURJKSA-N 0 1 406.534 4.358 20 0 HIADMN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000537549432 938320896 /nfs/dbraw/zinc/32/08/96/938320896.db2.gz ZUENAICCAPUWGG-KRWDZBQOSA-N 0 1 413.481 4.054 20 0 HIADMN O=C(c1cccn1Cc1cccs1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 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Cc1cc(CN2CCC([C@H](O)C(F)(F)F)CC2)cc(C)c1OCc1ccccn1 ZINC000537649976 938347299 /nfs/dbraw/zinc/34/72/99/938347299.db2.gz SKOZXTDFVCCWOP-NRFANRHFSA-N 0 1 408.464 4.413 20 0 HIADMN COc1ccccc1COC1CCN(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000537683767 938353087 /nfs/dbraw/zinc/35/30/87/938353087.db2.gz QCEXXEJAFLXCJB-HXUWFJFHSA-N 0 1 410.558 4.170 20 0 HIADMN O=C(CSCc1ccncc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000537688411 938354923 /nfs/dbraw/zinc/35/49/23/938354923.db2.gz QBNWVUAGEPTYQO-UHFFFAOYSA-N 0 1 416.375 4.484 20 0 HIADMN COc1ccc(S[C@H](C)C(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)cc1 ZINC000537728574 938364028 /nfs/dbraw/zinc/36/40/28/938364028.db2.gz SJVBATFJEKWLGA-VGOFRKELSA-N 0 1 414.571 4.138 20 0 HIADMN COc1cccc([C@H](CNC(=O)NCc2cc(Cl)sc2Cl)N(C)C)c1 ZINC000537821006 938383885 /nfs/dbraw/zinc/38/38/85/938383885.db2.gz ZDICMFPXKXKIOH-AWEZNQCLSA-N 0 1 402.347 4.166 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N1CCCC[C@@H]1c1nc(C)no1)c1ccccc1Cl ZINC000563291896 945170415 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C[C@H](NC[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCCC2 ZINC000537884683 938399170 /nfs/dbraw/zinc/39/91/70/938399170.db2.gz HLUGDZPQODLVPU-JSGCOSHPSA-N 0 1 400.466 4.131 20 0 HIADMN C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1nc2c(s1)CCCC2 ZINC000537885026 938399479 /nfs/dbraw/zinc/39/94/79/938399479.db2.gz XNRLZUAJMGARGU-JKSUJKDBSA-N 0 1 402.583 4.325 20 0 HIADMN CC(C)Cn1cc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)c(C(F)F)n1 ZINC000537909145 938408635 /nfs/dbraw/zinc/40/86/35/938408635.db2.gz SYBVCXFPOIBKQG-HNNXBMFYSA-N 0 1 405.493 4.045 20 0 HIADMN COCCC1(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CC1 ZINC000537911315 938409606 /nfs/dbraw/zinc/40/96/06/938409606.db2.gz QIWQWJNAPCJUMF-UHFFFAOYSA-N 0 1 406.355 4.155 20 0 HIADMN CC(C)Cn1cc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(C(F)F)n1 ZINC000537913733 938411276 /nfs/dbraw/zinc/41/12/76/938411276.db2.gz ZMAXIRDOWIRFCX-MRXNPFEDSA-N 0 1 409.481 4.418 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)s1 ZINC000537944838 938428178 /nfs/dbraw/zinc/42/81/78/938428178.db2.gz OVQXJLMYDKVCRE-JLTOFOAXSA-N 0 1 410.580 4.331 20 0 HIADMN CCN(CC)C(=O)Nc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3OC)C2=O)cc1 ZINC000537955106 938431856 /nfs/dbraw/zinc/43/18/56/938431856.db2.gz GZWIZBDFHVBQTM-PXNSSMCTSA-N 0 1 424.545 4.025 20 0 HIADMN C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCc1ccn(C2CCCC2)n1 ZINC000537956391 938432168 /nfs/dbraw/zinc/43/21/68/938432168.db2.gz ORWCLIOHEXLZEG-CQSZACIVSA-N 0 1 410.440 4.404 20 0 HIADMN C[C@H](NC[C@H](CO)Cc1ccccc1C(F)(F)F)c1ncc(Br)s1 ZINC000537957979 938433072 /nfs/dbraw/zinc/43/30/72/938433072.db2.gz BFNHNRIZCGNMAT-WDEREUQCSA-N 0 1 423.298 4.426 20 0 HIADMN C[C@H](N[C@@H](CO)c1ccc(Br)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000537960766 938435567 /nfs/dbraw/zinc/43/55/67/938435567.db2.gz IPGTTZNFRIAVKM-SGTLLEGYSA-N 0 1 403.320 4.063 20 0 HIADMN C[C@H](NCc1ccccc1OC1CCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000537968789 938439570 /nfs/dbraw/zinc/43/95/70/938439570.db2.gz XBSZNNSVWFGDTC-KRWDZBQOSA-N 0 1 400.544 4.009 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H]2COc3c2ccc(C)c3C)cc1 ZINC000537976832 938445124 /nfs/dbraw/zinc/44/51/24/938445124.db2.gz LFSBHEAIEMMCPY-DYESRHJHSA-N 0 1 402.560 4.118 20 0 HIADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3cc(C)ccc3OC(F)F)C2=O)cc1 ZINC000537983063 938447141 /nfs/dbraw/zinc/44/71/41/938447141.db2.gz VECLYVDMOLFXDO-BEFAXECRSA-N 0 1 404.457 4.057 20 0 HIADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3oc4ccc(OC)cc4c3C)C2=O)cc1 ZINC000537986921 938449656 /nfs/dbraw/zinc/44/96/56/938449656.db2.gz KRJNQOVWPUHZRM-IERDGZPVSA-N 0 1 408.498 4.210 20 0 HIADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000537987950 938450056 /nfs/dbraw/zinc/45/00/56/938450056.db2.gz SBFAWOYPYMVWEI-ORAYPTAESA-N 0 1 408.420 4.179 20 0 HIADMN Cc1nc(C(C)(C)C)sc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000537988235 938450994 /nfs/dbraw/zinc/45/09/94/938450994.db2.gz WBKXFEIGKHDANI-OAHLLOKOSA-N 0 1 421.632 4.384 20 0 HIADMN C[C@@H](CC(=O)NCCc1ccccc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000537991668 938452860 /nfs/dbraw/zinc/45/28/60/938452860.db2.gz XOGSFGQIABBCEV-CPJSRVTESA-N 0 1 415.537 4.094 20 0 HIADMN C[C@H](N[C@@H]1CCOc2c(Cl)cccc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000537991644 938452990 /nfs/dbraw/zinc/45/29/90/938452990.db2.gz WRHHVZBFWSSGEW-IFXJQAMLSA-N 0 1 406.935 4.054 20 0 HIADMN C[C@@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1I ZINC000538017560 938463601 /nfs/dbraw/zinc/46/36/01/938463601.db2.gz GWOGILKEPDQIBG-LLVKDONJSA-N 0 1 422.245 4.066 20 0 HIADMN C[C@@H](NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1I ZINC000538017560 938463606 /nfs/dbraw/zinc/46/36/06/938463606.db2.gz GWOGILKEPDQIBG-LLVKDONJSA-N 0 1 422.245 4.066 20 0 HIADMN CN(C(=O)c1cnc(Oc2ccccc2)cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000538020817 938465518 /nfs/dbraw/zinc/46/55/18/938465518.db2.gz JXLDOUJPHSFDRB-FQEVSTJZSA-N 0 1 402.498 4.006 20 0 HIADMN C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000538020474 938465979 /nfs/dbraw/zinc/46/59/79/938465979.db2.gz DXEHZHQFHHRYJQ-PXNSSMCTSA-N 0 1 406.542 4.215 20 0 HIADMN 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20 0 HIADMN C[C@@H](CCCC(F)(F)F)NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000426094874 856104906 /nfs/dbraw/zinc/10/49/06/856104906.db2.gz XQDWQKKKQDHHBN-GXFFZTMASA-N 0 1 423.361 4.333 20 0 HIADMN C[C@@H](CCCC(F)(F)F)NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000426101991 856108375 /nfs/dbraw/zinc/10/83/75/856108375.db2.gz QGUQDWSTGQQPKJ-HOCLYGCPSA-N 0 1 409.456 4.482 20 0 HIADMN CCOc1cc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)ccc1OC(F)F ZINC000426173219 856154271 /nfs/dbraw/zinc/15/42/71/856154271.db2.gz RYBNNQMCZHWTEI-UHFFFAOYSA-N 0 1 403.429 4.120 20 0 HIADMN COc1ccccc1[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccco1 ZINC000426224219 856187216 /nfs/dbraw/zinc/18/72/16/856187216.db2.gz GQDBGZHWEFAKCP-WMZHIEFXSA-N 0 1 423.513 4.497 20 0 HIADMN COc1ccc([C@H](CNC(=O)N[C@H]2CCOC3(CCCC3)C2)N2CCCCC2)cc1 ZINC000426246936 856200479 /nfs/dbraw/zinc/20/04/79/856200479.db2.gz WZRQJYMLIZEHTH-UNMCSNQZSA-N 0 1 415.578 4.013 20 0 HIADMN Cc1cc(CN[C@@H]2C[C@H](C)c3c2cccc3Br)nc(N2CCCC2)n1 ZINC000426288076 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COC[C@H](c1ccc(Cl)cc1)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000426511931 856327783 /nfs/dbraw/zinc/32/77/83/856327783.db2.gz VEKWOTLHZNNKMO-LJQANCHMSA-N 0 1 413.905 4.321 20 0 HIADMN COC(=O)[C@H](C)Oc1ccc(CNCc2ccnc(Oc3ccccc3F)c2)cc1 ZINC000426552489 856345406 /nfs/dbraw/zinc/34/54/06/856345406.db2.gz JZOBGJVZWYMTJF-INIZCTEOSA-N 0 1 410.445 4.243 20 0 HIADMN COC(=O)[C@@H](C)Oc1ccc(CN[C@@H]2CSc3ccc(Br)cc32)cc1 ZINC000426579382 856359009 /nfs/dbraw/zinc/35/90/09/856359009.db2.gz MGDXZMNIOFZTJD-SJKOYZFVSA-N 0 1 422.344 4.326 20 0 HIADMN COc1cc(C)c(CN(C)C(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1OC ZINC000426609167 856372748 /nfs/dbraw/zinc/37/27/48/856372748.db2.gz XDUXDKMGZVWTGC-UHFFFAOYSA-N 0 1 405.907 4.389 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(=O)NC4CC4)c3)[nH]n2)c(C)c1 ZINC000426627554 856381288 /nfs/dbraw/zinc/38/12/88/856381288.db2.gz HOXPYYHJZAPISW-UHFFFAOYSA-N 0 1 408.889 4.491 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c[nH]cc1-c1ccccc1F ZINC000426684124 856411869 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GSKNJSXNEQASHF-PZJWPPBQSA-N 0 1 407.562 4.227 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(S[C@H]3CCN(c4cccc(Cl)c4)C3=O)n2)o1 ZINC000427117557 856649249 /nfs/dbraw/zinc/64/92/49/856649249.db2.gz MXRPJXISGCAYAL-PTZVLDCSSA-N 0 1 400.891 4.428 20 0 HIADMN CC(C)c1nc(C[S@@](=O)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n[nH]1 ZINC000427179608 856695007 /nfs/dbraw/zinc/69/50/07/856695007.db2.gz RIWUIFKGMGBCJX-LJAQVGFWSA-N 0 1 405.527 4.230 20 0 HIADMN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000427199862 856709630 /nfs/dbraw/zinc/70/96/30/856709630.db2.gz MFGMIGXKMSYRRT-UHFFFAOYSA-N 0 1 417.231 4.356 20 0 HIADMN CCN(CCNC(=O)c1csc(-c2ccc(F)c(F)c2)n1)CCC(F)(F)F ZINC000427206477 856713110 /nfs/dbraw/zinc/71/31/10/856713110.db2.gz RXUPWXZMPFJWPN-UHFFFAOYSA-N 0 1 407.408 4.092 20 0 HIADMN CCN(CCNC(=O)c1cc(Br)cc2cccnc21)CCC(F)(F)F ZINC000427217418 856717980 /nfs/dbraw/zinc/71/79/80/856717980.db2.gz QTEWRSXISGWYPB-UHFFFAOYSA-N 0 1 418.257 4.001 20 0 HIADMN CCN(CCNC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)CCC(F)(F)F 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CCOCCC1(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)CCC1 ZINC000432654216 859276377 /nfs/dbraw/zinc/27/63/77/859276377.db2.gz PCZBHJULXRHWFV-UHFFFAOYSA-N 0 1 401.551 4.037 20 0 HIADMN COC(=O)c1cc([C@H](C)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)oc1C ZINC000432829923 859377762 /nfs/dbraw/zinc/37/77/62/859377762.db2.gz RSCRTGXEYYCKEU-GOEBONIOSA-N 0 1 417.481 4.108 20 0 HIADMN Cc1ccc(-c2ccc(C)c(NC(=O)NC[C@@H]3C[C@H](O)CN3Cc3ccccc3)c2)o1 ZINC000432991901 859467126 /nfs/dbraw/zinc/46/71/26/859467126.db2.gz HIOHRBGUXSWKMK-VXKWHMMOSA-N 0 1 419.525 4.320 20 0 HIADMN O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCC(CO)(c2ccccc2)CC1 ZINC000433051258 859500168 /nfs/dbraw/zinc/50/01/68/859500168.db2.gz GORLLIJNRYNDLQ-VWLOTQADSA-N 0 1 414.549 4.070 20 0 HIADMN O=C(Cc1csc2ccc(Br)cc12)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433096293 859519477 /nfs/dbraw/zinc/51/94/77/859519477.db2.gz HMUKRBTVOVOBAQ-UHFFFAOYSA-N 0 1 414.288 4.025 20 0 HIADMN C[C@H](N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1nc(C(F)(F)F)cs1 ZINC000467632800 881430817 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Cc1cccc(F)c1S(=O)(=O)Nc1noc(-c2ccccc2)c1Br ZINC000438972286 864436905 /nfs/dbraw/zinc/43/69/05/864436905.db2.gz IGQYMPGXPCLHPA-UHFFFAOYSA-N 0 1 411.252 4.352 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000438983306 864446412 /nfs/dbraw/zinc/44/64/12/864446412.db2.gz BDPMFHNSJGOUNS-DYESRHJHSA-N 0 1 412.530 4.371 20 0 HIADMN CC(C)(C)c1ccc(S(=O)(=O)CCN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000439003560 864456529 /nfs/dbraw/zinc/45/65/29/864456529.db2.gz OYQITSMWHBODFS-BDTNDASRSA-N 0 1 407.620 4.163 20 0 HIADMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000439009014 864461625 /nfs/dbraw/zinc/46/16/25/864461625.db2.gz WNNYKIYXGMKREH-MZYLBHOOSA-N 0 1 422.573 4.094 20 0 HIADMN C[N@@H+](Cc1cc2c(cc1Br)OCCO2)C1CCN(c2ccccc2)CC1 ZINC000439011756 864463558 /nfs/dbraw/zinc/46/35/58/864463558.db2.gz QYOWETBERSQYLB-UHFFFAOYSA-N 0 1 417.347 4.321 20 0 HIADMN CN(Cc1cc2c(cc1Br)OCCO2)C1CCN(c2ccccc2)CC1 ZINC000439011756 864463563 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C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000464765227 878005711 /nfs/dbraw/zinc/00/57/11/878005711.db2.gz ZQLHPTXMZPADMZ-RTBURBONSA-N 0 1 423.582 4.255 20 0 HIADMN CC(C)OCc1ccccc1CNC(=O)CN1CC[C@@H](CSc2ccccc2)C1 ZINC000464764217 878008396 /nfs/dbraw/zinc/00/83/96/878008396.db2.gz FZUSQCVGCFLEDI-HXUWFJFHSA-N 0 1 412.599 4.342 20 0 HIADMN COc1ccc(-c2nnc(CN(CCc3ccc(C)cc3)C[C@H]3CCCO3)o2)cc1 ZINC000464776214 878019318 /nfs/dbraw/zinc/01/93/18/878019318.db2.gz KWDCALFOUFTZIH-JOCHJYFZSA-N 0 1 407.514 4.277 20 0 HIADMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464777619 878021559 /nfs/dbraw/zinc/02/15/59/878021559.db2.gz WDIGACWDHAMBPP-MSOLQXFVSA-N 0 1 412.555 4.223 20 0 HIADMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464777621 878021633 /nfs/dbraw/zinc/02/16/33/878021633.db2.gz WDIGACWDHAMBPP-ROUUACIJSA-N 0 1 412.555 4.223 20 0 HIADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)C1 ZINC000464782048 878028826 /nfs/dbraw/zinc/02/88/26/878028826.db2.gz XITDIGJSSGRDBL-NUJGCVRESA-N 0 1 401.532 4.156 20 0 HIADMN Cc1cccc([C@H]2CCCCN2CC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1C ZINC000464782728 878030958 /nfs/dbraw/zinc/03/09/58/878030958.db2.gz ZSAJOUFSORBVEV-RCZVLFRGSA-N 0 1 405.586 4.473 20 0 HIADMN COc1ccccc1N1CC[C@@H](N[C@H](Cc2ccc(C)cc2)c2ccccn2)C1=O ZINC000464785333 878031337 /nfs/dbraw/zinc/03/13/37/878031337.db2.gz NUTXCABIETXFSU-FGZHOGPDSA-N 0 1 401.510 4.078 20 0 HIADMN COc1ccccc1N1CC[C@@H](N[C@@H](Cc2ccc(C)cc2)c2ccccn2)C1=O ZINC000464785335 878032228 /nfs/dbraw/zinc/03/22/28/878032228.db2.gz NUTXCABIETXFSU-YADHBBJMSA-N 0 1 401.510 4.078 20 0 HIADMN CC(C)(C)c1csc(CCNC(=O)c2cc(Br)cc3nc[nH]c32)n1 ZINC000503325463 912302777 /nfs/dbraw/zinc/30/27/77/912302777.db2.gz UALLZWCMSSVSAH-UHFFFAOYSA-N 0 1 407.337 4.052 20 0 HIADMN O=C(N[C@H](c1cccc(F)c1)C1CCCC1)NC1CCN(Cc2ccncc2)CC1 ZINC000464834417 878094933 /nfs/dbraw/zinc/09/49/33/878094933.db2.gz WHQUIWHTVGXFFV-QHCPKHFHSA-N 0 1 410.537 4.416 20 0 HIADMN CCSCC[C@H](C)N(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000464846793 878120404 /nfs/dbraw/zinc/12/04/04/878120404.db2.gz CBKFGMKCKLLWGX-DOTOQJQBSA-N 0 1 405.589 4.482 20 0 HIADMN CCCCOC1CCN(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000464846397 878120691 /nfs/dbraw/zinc/12/06/91/878120691.db2.gz AVMJKRPOPCUVEA-UHFFFAOYSA-N 0 1 412.496 4.478 20 0 HIADMN CC[C@H](NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)OC)c1ccc(Cl)cc1 ZINC000464877445 878169274 /nfs/dbraw/zinc/16/92/74/878169274.db2.gz VMGPTIKYHWZDNA-MFMILTCTSA-N 0 1 402.922 4.047 20 0 HIADMN O=C(CN(Cc1ccccc1)CC1CCOCC1)Nc1nc(-c2ccco2)cs1 ZINC000464892446 878194546 /nfs/dbraw/zinc/19/45/46/878194546.db2.gz YCIIGSVYXFYHPJ-UHFFFAOYSA-N 0 1 411.527 4.270 20 0 HIADMN C[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CCN1Cc1ccccc1 ZINC000464896175 878200789 /nfs/dbraw/zinc/20/07/89/878200789.db2.gz NQRDXOATODGTTG-FQEVSTJZSA-N 0 1 414.553 4.098 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1 ZINC000464936780 878268981 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CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc(F)c2F)CC1 ZINC000503361820 912336418 /nfs/dbraw/zinc/33/64/18/912336418.db2.gz BJSFINLYRSGZKC-CQSZACIVSA-N 0 1 406.452 4.129 20 0 HIADMN CCOc1cccc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)c1OC(F)F ZINC000464999482 878354274 /nfs/dbraw/zinc/35/42/74/878354274.db2.gz CZZWDSFILWOECN-UHFFFAOYSA-N 0 1 403.429 4.120 20 0 HIADMN CCN1CCN([C@H]2CCN(c3nc(-c4ccccc4C(F)(F)F)cs3)C2)CC1 ZINC000465053943 878416683 /nfs/dbraw/zinc/41/66/83/878416683.db2.gz YFCWVGHLZFGITJ-HNNXBMFYSA-N 0 1 410.509 4.045 20 0 HIADMN CCO[C@H](CC(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1)C1=CCCC1 ZINC000465076134 878436185 /nfs/dbraw/zinc/43/61/85/878436185.db2.gz BSCYTUPAASNFED-JTHBVZDNSA-N 0 1 400.563 4.244 20 0 HIADMN CCC[C@H](NC(=O)[C@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503375220 912356501 /nfs/dbraw/zinc/35/65/01/912356501.db2.gz KLERLACVVFZCBL-RRPUWOKSSA-N 0 1 408.590 4.445 20 0 HIADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1cccc2cnccc21 ZINC000465172133 878557860 /nfs/dbraw/zinc/55/78/60/878557860.db2.gz AZPRVCXEOFABSQ-UHFFFAOYSA-N 0 1 423.520 4.204 20 0 HIADMN CCO[C@@H](CC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1)C1=CCCC1 ZINC000465176135 878563237 /nfs/dbraw/zinc/56/32/37/878563237.db2.gz OOTYKZANVWDATB-JPYJTQIMSA-N 0 1 417.569 4.050 20 0 HIADMN Cc1ccc(OCc2nc(CC(=O)NCc3nc4ccc(C)cc4[nH]3)cs2)cc1 ZINC000465187891 878579182 /nfs/dbraw/zinc/57/91/82/878579182.db2.gz SDLHLOADDHDJRS-UHFFFAOYSA-N 0 1 406.511 4.074 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)[nH]c2c1 ZINC000465193633 878591799 /nfs/dbraw/zinc/59/17/99/878591799.db2.gz PIEYTWKMLYEBQP-UHFFFAOYSA-N 0 1 400.269 4.294 20 0 HIADMN COc1ccc(CN(C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1C ZINC000503385864 912366981 /nfs/dbraw/zinc/36/69/81/912366981.db2.gz KMZUCSXEJSINAA-UHFFFAOYSA-N 0 1 415.965 4.463 20 0 HIADMN CC(C)(CNC(=O)N1CCC(CCN2CCOCC2)CC1)Cc1cccc(Cl)c1 ZINC000465230332 878647283 /nfs/dbraw/zinc/64/72/83/878647283.db2.gz JFGBCQWWWGGUHW-UHFFFAOYSA-N 0 1 422.013 4.053 20 0 HIADMN CC(C)c1noc(-c2ccc(NC(=O)NCCN3CCc4ccccc4C3)cc2)n1 ZINC000503387908 912368702 /nfs/dbraw/zinc/36/87/02/912368702.db2.gz PJTISQSSNMCCNM-UHFFFAOYSA-N 0 1 405.502 4.040 20 0 HIADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000465243272 878662617 /nfs/dbraw/zinc/66/26/17/878662617.db2.gz RWTYZDNMGVDUHB-NRFANRHFSA-N 0 1 412.509 4.039 20 0 HIADMN O=C(Nc1ccccc1CCC(F)(F)F)NC1CCN(Cc2ccccn2)CC1 ZINC000465245139 878667068 /nfs/dbraw/zinc/66/70/68/878667068.db2.gz SZPXKZHZKIQLKF-UHFFFAOYSA-N 0 1 406.452 4.363 20 0 HIADMN Cc1sc2nc([C@@H](C)N3CCC[C@@H](c4ncc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389901 912373837 /nfs/dbraw/zinc/37/38/37/912373837.db2.gz INDLNPNYBIJIEB-GDBMZVCRSA-N 0 1 410.591 4.364 20 0 HIADMN Fc1ccc(-n2nc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)c3c2CCC3)cc1 ZINC000503406050 912385321 /nfs/dbraw/zinc/38/53/21/912385321.db2.gz ALTKDYOWJNGZRC-GOSISDBHSA-N 0 1 419.548 4.413 20 0 HIADMN CCSCC[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000465397437 878834278 /nfs/dbraw/zinc/83/42/78/878834278.db2.gz ANSAARXWQNKCPC-NQIIRXRSSA-N 0 1 407.624 4.395 20 0 HIADMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000465405764 878841185 /nfs/dbraw/zinc/84/11/85/878841185.db2.gz MEAVPMBIJYKCDN-RXVVDRJESA-N 0 1 407.518 4.053 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)N(C)C)cc1OC ZINC000465405937 878841318 /nfs/dbraw/zinc/84/13/18/878841318.db2.gz RNGBZBQUEOEJTL-UHOSZYNNSA-N 0 1 415.534 4.082 20 0 HIADMN CC(C)(NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000465409146 878844373 /nfs/dbraw/zinc/84/43/73/878844373.db2.gz XYKRROQBNYBMFE-LBPRGKRZSA-N 0 1 416.469 4.126 20 0 HIADMN CN(C)[C@@H](CNC(=O)N1CC[C@@H](CSc2ccccc2)C1)c1cccc(F)c1 ZINC000465422129 878851224 /nfs/dbraw/zinc/85/12/24/878851224.db2.gz JAIQGVPFTBNXGX-UTKZUKDTSA-N 0 1 401.551 4.252 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)N(C)C)c1 ZINC000465430732 878861686 /nfs/dbraw/zinc/86/16/86/878861686.db2.gz JGDBAJOAKNHWLR-DLBZAZTESA-N 0 1 424.328 4.038 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)N1CCCC1 ZINC000465434327 878866440 /nfs/dbraw/zinc/86/64/40/878866440.db2.gz QCWVAJRKNGIZBS-UYAOXDASSA-N 0 1 414.575 4.048 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)NC[C@@H](C)Sc1ccccc1)N1CCCC1 ZINC000465434040 878866459 /nfs/dbraw/zinc/86/64/59/878866459.db2.gz PBVVUXHXDFNVFJ-WIYYLYMNSA-N 0 1 413.587 4.312 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](c1ncc(C)s1)C1CC1)N1CCCC1 ZINC000465434325 878866637 /nfs/dbraw/zinc/86/66/37/878866637.db2.gz QCWVAJRKNGIZBS-QUCCMNQESA-N 0 1 414.575 4.048 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000465436871 878869491 /nfs/dbraw/zinc/86/94/91/878869491.db2.gz VPPZSFIOBDAEIE-PUHATCMVSA-N 0 1 413.537 4.204 20 0 HIADMN COc1cccc([C@H](CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)N2CCCC2)c1 ZINC000465464651 878898115 /nfs/dbraw/zinc/89/81/15/878898115.db2.gz FHKXMESVWWEALA-URXFXBBRSA-N 0 1 407.558 4.106 20 0 HIADMN C[C@@H]1CN(CCCNC(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)C[C@H](C)O1 ZINC000465564207 879037467 /nfs/dbraw/zinc/03/74/67/879037467.db2.gz HZRSOUFKIQAUMQ-HDICACEKSA-N 0 1 411.521 4.064 20 0 HIADMN CC(C)[C@H](CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1)N1CCN(C)CC1 ZINC000465575245 879050685 /nfs/dbraw/zinc/05/06/85/879050685.db2.gz QODGWXMXWBBCDF-BWKNWUBXSA-N 0 1 422.617 4.328 20 0 HIADMN Cc1cnc([C@@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C2CC2)s1 ZINC000465633212 879144894 /nfs/dbraw/zinc/14/48/94/879144894.db2.gz HCKHMTPNPFJHIK-IBGZPJMESA-N 0 1 402.539 4.006 20 0 HIADMN C[C@@H]1C[C@@H]1[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000465644658 879163034 /nfs/dbraw/zinc/16/30/34/879163034.db2.gz ADNKNDBNVTURIY-URZJWIJPSA-N 0 1 412.965 4.396 20 0 HIADMN CCC(CC)c1cc(CNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)on1 ZINC000465656213 879180922 /nfs/dbraw/zinc/18/09/22/879180922.db2.gz PYKASORPLWWQFM-UHFFFAOYSA-N 0 1 402.514 4.181 20 0 HIADMN COc1ccc(C[C@@H]2CCCN(C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)C2)cc1 ZINC000465701276 879265526 /nfs/dbraw/zinc/26/55/26/879265526.db2.gz YXKZUYNTXPVSOZ-CVDCTZTESA-N 0 1 413.537 4.101 20 0 HIADMN Cc1ccc2nc(CNC(=O)N[C@@H](C)c3ccc(OCC(F)(F)F)cc3)[nH]c2c1 ZINC000465725019 879302281 /nfs/dbraw/zinc/30/22/81/879302281.db2.gz MYTBDZLSOKKLMI-ZDUSSCGKSA-N 0 1 406.408 4.373 20 0 HIADMN O=C(CN1CCC(c2ccc(Br)cc2)CC1)N1CCc2sccc2C1 ZINC000503436248 912442695 /nfs/dbraw/zinc/44/26/95/912442695.db2.gz JTDWQLJMLPWMCQ-UHFFFAOYSA-N 0 1 419.388 4.275 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccco1 ZINC000465809895 879426362 /nfs/dbraw/zinc/42/63/62/879426362.db2.gz JXNJUAAVKMDQEA-CABCVRRESA-N 0 1 412.317 4.402 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccco1 ZINC000465809909 879427055 /nfs/dbraw/zinc/42/70/55/879427055.db2.gz JXNJUAAVKMDQEA-LSDHHAIUSA-N 0 1 412.317 4.402 20 0 HIADMN CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1)c1ccco1 ZINC000465810589 879429184 /nfs/dbraw/zinc/42/91/84/879429184.db2.gz KGTSLRDRWRUFCF-XJUOHMSHSA-N 0 1 413.562 4.438 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Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000467459626 881268734 /nfs/dbraw/zinc/26/87/34/881268734.db2.gz QYQNBTOCFDOCAH-DYESRHJHSA-N 0 1 404.518 4.403 20 0 HIADMN CCOc1ccc(-c2nc(CC(=O)NCCc3nc4ccc(F)cc4[nH]3)cs2)cc1 ZINC000467468460 881283322 /nfs/dbraw/zinc/28/33/22/881283322.db2.gz SCNFWCFGLBKFJA-UHFFFAOYSA-N 0 1 424.501 4.126 20 0 HIADMN O=C(Nc1ccc(Br)c(Cl)c1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467469028 881284991 /nfs/dbraw/zinc/28/49/91/881284991.db2.gz QSURFBWQURFCPA-AWEZNQCLSA-N 0 1 406.671 4.132 20 0 HIADMN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3nc4ccc(F)cc4[nH]3)c12 ZINC000467498768 881315026 /nfs/dbraw/zinc/31/50/26/881315026.db2.gz LOLHOKAJNMILHP-UHFFFAOYSA-N 0 1 401.401 4.144 20 0 HIADMN O=C(NCc1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1)Nc1ccccc1Cl ZINC000467515837 881331428 /nfs/dbraw/zinc/33/14/28/881331428.db2.gz BBHIRTZZXUSATG-INIZCTEOSA-N 0 1 423.904 4.443 20 0 HIADMN Cc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1NC(=O)c1ccco1 ZINC000469059593 883135174 /nfs/dbraw/zinc/13/51/74/883135174.db2.gz NPYHLGBQEYDRQR-FQEVSTJZSA-N 0 1 419.481 4.478 20 0 HIADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000469062201 883137976 /nfs/dbraw/zinc/13/79/76/883137976.db2.gz RVFLBLWPOAASCT-RPBOFIJWSA-N 0 1 405.586 4.232 20 0 HIADMN Cc1[nH]c(S(=O)(=O)Cc2coc(-c3ccc(C)cc3)n2)nc1Cc1ccccc1 ZINC000503585978 912672800 /nfs/dbraw/zinc/67/28/00/912672800.db2.gz HBXBLLFZTQEZAE-UHFFFAOYSA-N 0 1 407.495 4.246 20 0 HIADMN COc1cc(C)c([C@@H](C)NC(=O)c2cc(Br)cc3nc[nH]c32)cc1OC ZINC000503588421 912675770 /nfs/dbraw/zinc/67/57/70/912675770.db2.gz HYXKPMMTYSHNIE-LLVKDONJSA-N 0 1 418.291 4.142 20 0 HIADMN Cc1nnc(SCCC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)[nH]1 ZINC000469106720 883199863 /nfs/dbraw/zinc/19/98/63/883199863.db2.gz QATMZXRGNNSBPE-SNVBAGLBSA-N 0 1 405.524 4.044 20 0 HIADMN CCOc1ccc(C2=CCN(C(=O)c3n[nH]c(CC)c3Br)CC2)cc1 ZINC000469112699 883204325 /nfs/dbraw/zinc/20/43/25/883204325.db2.gz UITUYZWHLJKHAR-UHFFFAOYSA-N 0 1 404.308 4.063 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000469137792 883233424 /nfs/dbraw/zinc/23/34/24/883233424.db2.gz VKHKEDQUBOEIOT-UHFFFAOYSA-N 0 1 404.341 4.201 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469174604 883274169 /nfs/dbraw/zinc/27/41/69/883274169.db2.gz IMIIOBXDUGXHCN-VBKZILBWSA-N 0 1 404.505 4.067 20 0 HIADMN Cc1n[nH]c(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Br)c2)c1C ZINC000469185749 883283701 /nfs/dbraw/zinc/28/37/01/883283701.db2.gz STENAPUTTXLMJS-GOSISDBHSA-N 0 1 402.267 4.448 20 0 HIADMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000469265584 883362043 /nfs/dbraw/zinc/36/20/43/883362043.db2.gz XPSIMWJWPJUZEC-UHFFFAOYSA-N 0 1 424.407 4.303 20 0 HIADMN O=C(Nc1cccc2c1OCCC2=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000503605734 912702943 /nfs/dbraw/zinc/70/29/43/912702943.db2.gz ARHPAIGDBPFCJW-UHFFFAOYSA-N 0 1 412.243 4.057 20 0 HIADMN CO[C@H](CCNC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)C(F)(F)F ZINC000469342075 883457531 /nfs/dbraw/zinc/45/75/31/883457531.db2.gz USGVHMDRVBRVPE-ZIAGYGMSSA-N 0 1 404.820 4.030 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cccc21 ZINC000469344731 883462252 /nfs/dbraw/zinc/46/22/52/883462252.db2.gz HWVLHXMDADZFJS-OAQYLSRUSA-N 0 1 402.498 4.387 20 0 HIADMN C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000469347369 883464793 /nfs/dbraw/zinc/46/47/93/883464793.db2.gz YKGBFBZKFDNIEC-UZLBHIALSA-N 0 1 415.509 4.405 20 0 HIADMN COc1c(Cl)cc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1Cl ZINC000469349913 883469167 /nfs/dbraw/zinc/46/91/67/883469167.db2.gz WHPJYHCGHABZDG-UHFFFAOYSA-N 0 1 408.329 4.153 20 0 HIADMN CC(C)n1cc(Br)cc1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000469351090 883472929 /nfs/dbraw/zinc/47/29/29/883472929.db2.gz SOGVWLSPQFPUAW-INIZCTEOSA-N 0 1 406.324 4.469 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(F)c(F)cc3Br)cccc21 ZINC000469360404 883482781 /nfs/dbraw/zinc/48/27/81/883482781.db2.gz YMWOONAVQJCOLO-MRXNPFEDSA-N 0 1 411.246 4.365 20 0 HIADMN COc1ccc(Br)c(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000469364260 883487540 /nfs/dbraw/zinc/48/75/40/883487540.db2.gz YYFJZGHAAIUDRU-QGZVFWFLSA-N 0 1 405.292 4.095 20 0 HIADMN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000469364710 883488113 /nfs/dbraw/zinc/48/81/13/883488113.db2.gz QJNGZBWTOFZHCW-FZKQIMNGSA-N 0 1 408.420 4.497 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(COc4ccccc4F)on3)cccc21 ZINC000469364216 883488423 /nfs/dbraw/zinc/48/84/23/883488423.db2.gz YVWWDIIROOPIIW-LJQANCHMSA-N 0 1 411.433 4.030 20 0 HIADMN Cc1[nH]c(S(=O)(=O)Cc2csc(Br)c2)nc1Cc1ccccc1 ZINC000503621667 912718268 /nfs/dbraw/zinc/71/82/68/912718268.db2.gz XEPIMAARLBIFMX-UHFFFAOYSA-N 0 1 411.346 4.107 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469453321 883656263 /nfs/dbraw/zinc/65/62/63/883656263.db2.gz XOHWJFDIVNZVIN-SFHVURJKSA-N 0 1 408.424 4.088 20 0 HIADMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000469458610 883667057 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20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cnc([C@H]2CCCO2)s1)c1cccc(C(F)(F)F)c1 ZINC000469494838 883735730 /nfs/dbraw/zinc/73/57/30/883735730.db2.gz YOSYAAIAERHCAD-LSDHHAIUSA-N 0 1 413.465 4.046 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1ccc(OC(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000469495155 883738038 /nfs/dbraw/zinc/73/80/38/883738038.db2.gz CQTHLAHGUGHTEG-INIZCTEOSA-N 0 1 402.363 4.340 20 0 HIADMN COc1ccc(C[C@H](NCc2cc(-c3cnn(C)c3)no2)c2ccccc2)cc1OC ZINC000469524069 883793149 /nfs/dbraw/zinc/79/31/49/883793149.db2.gz UGGVNJXOLQGCDL-NRFANRHFSA-N 0 1 418.497 4.166 20 0 HIADMN Cn1cc(-c2cc(CN3CCC[C@@H](Oc4ccc(Cl)c(Cl)c4)C3)on2)cn1 ZINC000469535501 883804593 /nfs/dbraw/zinc/80/45/93/883804593.db2.gz MWGHWZZAZHVBKO-OAHLLOKOSA-N 0 1 407.301 4.425 20 0 HIADMN Cc1csc(C(=O)Nc2cc(F)cc(Cl)c2O)c1I ZINC000469557672 883813436 /nfs/dbraw/zinc/81/34/36/883813436.db2.gz AOMHHPLNOAGCEN-UHFFFAOYSA-N 0 1 411.623 4.412 20 0 HIADMN Brc1ccc(Cc2noc([C@H]3CCCN3CC[C@@H]3CCCO3)n2)cc1 ZINC000469611433 883833732 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HIADMN CN1CCN(Cc2cccc(C(=O)Nc3nc4ccccc4n3C3CCCC3)c2)CC1 ZINC000469689789 883872323 /nfs/dbraw/zinc/87/23/23/883872323.db2.gz ZPNADNGJMKTKOE-UHFFFAOYSA-N 0 1 417.557 4.151 20 0 HIADMN CC(C)Oc1ccc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)nc1 ZINC000469736604 883894365 /nfs/dbraw/zinc/89/43/65/883894365.db2.gz XDSHDHBZZXKJCE-FOIQADDNSA-N 0 1 405.901 4.084 20 0 HIADMN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N(C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469742601 883898600 /nfs/dbraw/zinc/89/86/00/883898600.db2.gz CFIRNMZTOLMMEG-FZMZJTMJSA-N 0 1 413.349 4.070 20 0 HIADMN C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000503660579 912765489 /nfs/dbraw/zinc/76/54/89/912765489.db2.gz XADQOULAOHDFKB-OAHLLOKOSA-N 0 1 417.912 4.075 20 0 HIADMN COc1cccc(Cl)c1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469768428 883940686 /nfs/dbraw/zinc/94/06/86/883940686.db2.gz KPHIIDAURUAZPL-OAHLLOKOSA-N 0 1 400.828 4.400 20 0 HIADMN CC(C)Cn1ccc2c1cccc2C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000469768497 883940871 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/nfs/dbraw/zinc/77/41/38/885774138.db2.gz RXYVGGLBGKFMNW-UHFFFAOYSA-N 0 1 408.476 4.404 20 0 HIADMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2noc(-c3scnc3C)n2)n1 ZINC000471206365 885777975 /nfs/dbraw/zinc/77/79/75/885777975.db2.gz BWMZKWYWBPOUKQ-UHFFFAOYSA-N 0 1 420.907 4.241 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2nnc(-c3cc(F)ccc3C)s2)n[nH]1 ZINC000471356748 885978671 /nfs/dbraw/zinc/97/86/71/885978671.db2.gz KRXDFWROHSOMRX-MWLCHTKSSA-N 0 1 403.487 4.167 20 0 HIADMN CCc1ccc(-c2noc([C@H](C)NC(=O)NC[C@@H](c3ccco3)N3CCCC3)n2)cc1 ZINC000471382029 886030060 /nfs/dbraw/zinc/03/00/60/886030060.db2.gz NKIQHPZFDKVQKZ-LPHOPBHVSA-N 0 1 423.517 4.089 20 0 HIADMN Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000471500882 886202985 /nfs/dbraw/zinc/20/29/85/886202985.db2.gz PGGKBKKQZFEIEV-OAHLLOKOSA-N 0 1 418.490 4.074 20 0 HIADMN COc1cc(NC(=O)c2ccc(CN3CCSCC3)cc2)ccc1Br ZINC000471515251 886217732 /nfs/dbraw/zinc/21/77/32/886217732.db2.gz ITZXMZLHDWEOKF-UHFFFAOYSA-N 0 1 421.360 4.259 20 0 HIADMN O=S(=O)(Nc1ccc(Cl)cc1-n1cccn1)c1ccccc1Br ZINC000471566414 886276099 /nfs/dbraw/zinc/27/60/99/886276099.db2.gz KBQBCVHKAMLZFT-UHFFFAOYSA-N 0 1 412.696 4.089 20 0 HIADMN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc(F)c(Br)c1 ZINC000471601103 886314099 /nfs/dbraw/zinc/31/40/99/886314099.db2.gz HDSDVIMGCKDTHR-GFCCVEGCSA-N 0 1 405.271 4.136 20 0 HIADMN Brc1ccc2c(c1)[C@H](NCc1n[nH]c(COc3ccccc3)n1)CCC2 ZINC000471603319 886316922 /nfs/dbraw/zinc/31/69/22/886316922.db2.gz SPWFTIGDJGYLNK-GOSISDBHSA-N 0 1 413.319 4.313 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)N2CCCC2)c1 ZINC000471604841 886321241 /nfs/dbraw/zinc/32/12/41/886321241.db2.gz DLJUQUKINDTUEG-XMMPIXPASA-N 0 1 407.558 4.252 20 0 HIADMN Fc1ccc(Br)c2c1CC[C@H]2NCc1n[nH]c(COc2ccccc2)n1 ZINC000471613976 886330750 /nfs/dbraw/zinc/33/07/50/886330750.db2.gz SXJDJTWQVSIDKO-MRXNPFEDSA-N 0 1 417.282 4.062 20 0 HIADMN COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnc(COc3ccccc3)[n-]2)cc1F ZINC000471615935 886332517 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419.533 4.208 20 0 HIADMN COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(C)cc1C ZINC000471856593 886628715 /nfs/dbraw/zinc/62/87/15/886628715.db2.gz LXLJSWIUBVMYDZ-IBGZPJMESA-N 0 1 419.485 4.244 20 0 HIADMN COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(C)cc1C ZINC000471856593 886628723 /nfs/dbraw/zinc/62/87/23/886628723.db2.gz LXLJSWIUBVMYDZ-IBGZPJMESA-N 0 1 419.485 4.244 20 0 HIADMN Cn1ccc2cccc(NC(=O)N3CCC[C@H](c4nnc(-c5ccccc5)[nH]4)C3)c21 ZINC000471873860 886652438 /nfs/dbraw/zinc/65/24/38/886652438.db2.gz PRJXOMMZBUAQEY-SFHVURJKSA-N 0 1 400.486 4.375 20 0 HIADMN Cn1ccc2cccc(NC(=O)N[C@@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)c21 ZINC000471878651 886659151 /nfs/dbraw/zinc/65/91/51/886659151.db2.gz ZKXIPRBEAZIDMZ-MRXNPFEDSA-N 0 1 414.391 4.226 20 0 HIADMN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000471894393 886677225 /nfs/dbraw/zinc/67/72/25/886677225.db2.gz XTSMCYNRZJDVMB-UWJYYQICSA-N 0 1 409.509 4.364 20 0 HIADMN O=C(NCc1cc(Br)ccc1F)NC[C@H](c1ccco1)N1CCCCC1 ZINC000504188126 913071088 /nfs/dbraw/zinc/07/10/88/913071088.db2.gz HVPUNRHUHPQJEW-QGZVFWFLSA-N 0 1 424.314 4.208 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C(C)=O)c(C)c3)CCN2C2CC2)c1 ZINC000471929461 886722727 /nfs/dbraw/zinc/72/27/27/886722727.db2.gz DXNHLDYULPMWKP-PKTZIBPZSA-N 0 1 407.514 4.306 20 0 HIADMN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000471934173 886730556 /nfs/dbraw/zinc/73/05/56/886730556.db2.gz NRMNRSJKUTVBIY-UHFFFAOYSA-N 0 1 410.437 4.072 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc4ccn(C)c4c3)CCN2C2CC2)c1 ZINC000471963917 886791884 /nfs/dbraw/zinc/79/18/84/886791884.db2.gz LEGAVQGGOBEGTH-JTHBVZDNSA-N 0 1 404.514 4.286 20 0 HIADMN O=S(=O)(Nc1cc(F)cc(Cl)c1O)c1ccc(OC(F)F)c(Cl)c1 ZINC000471992659 886818636 /nfs/dbraw/zinc/81/86/36/886818636.db2.gz PHIJLFDGSMDGIG-UHFFFAOYSA-N 0 1 402.177 4.240 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3nc4ccsc4s3)CCN2C2CC2)c1 ZINC000472001666 886826152 /nfs/dbraw/zinc/82/61/52/886826152.db2.gz IKVFPXPRQGOXRB-DOTOQJQBSA-N 0 1 414.556 4.466 20 0 HIADMN COc1ccc(CNC[C@H](OC(C)C)c2ccccc2OC)c(Br)c1O ZINC000472049437 886862841 /nfs/dbraw/zinc/86/28/41/886862841.db2.gz RFYHHUAADJIHEW-SFHVURJKSA-N 0 1 424.335 4.428 20 0 HIADMN CCn1nc(CNCCC(=O)Nc2cc(Br)ccc2C)c2ccccc21 ZINC000472049623 886863986 /nfs/dbraw/zinc/86/39/86/886863986.db2.gz SBKAOIAVTBOJKW-UHFFFAOYSA-N 0 1 415.335 4.246 20 0 HIADMN O=C(Cc1[nH]nc2ccccc21)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000504218373 913093884 /nfs/dbraw/zinc/09/38/84/913093884.db2.gz ISBXQLWJMAPLAN-MRXNPFEDSA-N 0 1 417.309 4.424 20 0 HIADMN COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c(OCC2CC2)c1 ZINC000472132593 886925017 /nfs/dbraw/zinc/92/50/17/886925017.db2.gz NGAXBLITEZXRIM-LJQANCHMSA-N 0 1 400.544 4.112 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2ccc(OC)cc2OCC2CC2)N2CCCC2)c1 ZINC000472146511 886945324 /nfs/dbraw/zinc/94/53/24/886945324.db2.gz XZEHKRCZLKFABZ-QHCPKHFHSA-N 0 1 424.541 4.060 20 0 HIADMN CC(C)OCC[C@H](O)CN[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000472148941 886946807 /nfs/dbraw/zinc/94/68/07/886946807.db2.gz AZTYHJJCDDHVOU-BBRMVZONSA-N 0 1 413.381 4.399 20 0 HIADMN CC(C)OCC[C@@H](O)CN[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000472148944 886947062 /nfs/dbraw/zinc/94/70/62/886947062.db2.gz AZTYHJJCDDHVOU-XJKSGUPXSA-N 0 1 413.381 4.399 20 0 HIADMN OC1(CN(Cc2n[nH]c(C3CC3)n2)Cc2cccc(Br)c2)CCCCC1 ZINC000472150475 886948669 /nfs/dbraw/zinc/94/86/69/886948669.db2.gz DDGDDKXCKHBSSI-UHFFFAOYSA-N 0 1 419.367 4.142 20 0 HIADMN COCCC1(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCCC1 ZINC000472153484 886951295 /nfs/dbraw/zinc/95/12/95/886951295.db2.gz HXSJBBYUGZFUJO-UHFFFAOYSA-N 0 1 422.013 4.448 20 0 HIADMN Cc1ccc(SC[C@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000472159196 886957611 /nfs/dbraw/zinc/95/76/11/886957611.db2.gz RKKMIYKUCYDVAP-IBGZPJMESA-N 0 1 412.603 4.358 20 0 HIADMN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000472186508 886986335 /nfs/dbraw/zinc/98/63/35/886986335.db2.gz GLMJUCULEFLZOX-UGFHNGPFSA-N 0 1 411.390 4.290 20 0 HIADMN CCCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504234707 913106380 /nfs/dbraw/zinc/10/63/80/913106380.db2.gz FCFPMTVDSMOLGB-QZTJIDSGSA-N 0 1 410.562 4.294 20 0 HIADMN O=C(Cc1csc2ccc(Br)cc12)N1CCC(c2cnc[nH]2)CC1 ZINC000472247963 887058528 /nfs/dbraw/zinc/05/85/28/887058528.db2.gz UUYFTLOZHHQODW-UHFFFAOYSA-N 0 1 404.333 4.336 20 0 HIADMN C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCC[C@@H](CC(N)=O)C1 ZINC000472281781 887100470 /nfs/dbraw/zinc/10/04/70/887100470.db2.gz XERGJIZQMUXMAG-WMZOPIPTSA-N 0 1 410.949 4.386 20 0 HIADMN Cc1c2cc(F)ccc2oc1S(=O)(=O)N(c1cccc(F)c1)C1CCN(C)CC1 ZINC000472300504 887121719 /nfs/dbraw/zinc/12/17/19/887121719.db2.gz QZIIXYCKPIBMLG-UHFFFAOYSA-N 0 1 420.481 4.309 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ncoc1-c1ccc(F)cc1 ZINC000472328700 887162916 /nfs/dbraw/zinc/16/29/16/887162916.db2.gz QQHSQEQTNJYWOA-UHFFFAOYSA-N 0 1 401.195 4.372 20 0 HIADMN C[C@@H]1CCN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)[C@H]1c1cccc(F)c1 ZINC000472362883 887199509 /nfs/dbraw/zinc/19/95/09/887199509.db2.gz XGKFXTSBAMKJLW-HOYKHHGWSA-N 0 1 423.532 4.086 20 0 HIADMN COc1cc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c(C)c(OC)c1 ZINC000504264608 913125769 /nfs/dbraw/zinc/12/57/69/913125769.db2.gz JGYVOKKYEGPPIE-UHFFFAOYSA-N 0 1 411.527 4.365 20 0 HIADMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000504270383 913129473 /nfs/dbraw/zinc/12/94/73/913129473.db2.gz GQISWSXDVOHZLH-UHFFFAOYSA-N 0 1 415.544 4.147 20 0 HIADMN COc1ccc(CN(C)C(=O)CNC2(c3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000472442308 887291704 /nfs/dbraw/zinc/29/17/04/887291704.db2.gz LKUKRJRGWWLFCO-UHFFFAOYSA-N 0 1 423.340 4.248 20 0 HIADMN C[C@H](C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1ccc(Cl)c(Cl)c1 ZINC000472500324 887369088 /nfs/dbraw/zinc/36/90/88/887369088.db2.gz MTUNJELHTKJHJA-LBPRGKRZSA-N 0 1 419.312 4.449 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)Nc3cccc4ccn(C)c43)c2C1 ZINC000472527270 887398488 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CNC(=O)c1cccc(CNCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)c1 ZINC000478337789 893574720 /nfs/dbraw/zinc/57/47/20/893574720.db2.gz GZUJMMPUKLIXRE-UHFFFAOYSA-N 0 1 410.949 4.473 20 0 HIADMN COCC[C@H](NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)c1ccc(Cl)c(Cl)c1 ZINC000505044161 913785730 /nfs/dbraw/zinc/78/57/30/913785730.db2.gz MDOYNFVYXXWVLS-ABAIWWIYSA-N 0 1 414.337 4.373 20 0 HIADMN CN(Cc1ccc(F)cc1Br)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000478465964 893791622 /nfs/dbraw/zinc/79/16/22/893791622.db2.gz CWXIGMHXJDBTPB-QGZVFWFLSA-N 0 1 424.314 4.160 20 0 HIADMN Cn1cc(Nc2cccc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)c2)cn1 ZINC000478468473 893794289 /nfs/dbraw/zinc/79/42/89/893794289.db2.gz OBZLNTHMNZMYDD-UHFFFAOYSA-N 0 1 423.948 4.212 20 0 HIADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1cc(OCC(F)F)ccn1 ZINC000478513279 893822404 /nfs/dbraw/zinc/82/24/04/893822404.db2.gz GCCHYXFGUNPDBK-UHFFFAOYSA-N 0 1 407.598 4.099 20 0 HIADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000478528849 893833001 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C[C@H](NCc1ccnc(N2CCCC2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480332986 895736658 /nfs/dbraw/zinc/73/66/58/895736658.db2.gz UXENVEDSCBHLRN-SFHVURJKSA-N 0 1 413.587 4.249 20 0 HIADMN Cc1ccc([C@H](CN[C@@H](C)c2ccc(F)cc2Br)N2CCOCC2)o1 ZINC000480388559 895795353 /nfs/dbraw/zinc/79/53/53/895795353.db2.gz WPXPYVJICVBKHD-KSSFIOAISA-N 0 1 411.315 4.214 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3OC(F)(F)F)n2)cc1 ZINC000480424566 895819869 /nfs/dbraw/zinc/81/98/69/895819869.db2.gz AKXYAHFMPBLUQK-UHFFFAOYSA-N 0 1 408.405 4.410 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccnn2C2CCCC2)CC1 ZINC000480443357 895831825 /nfs/dbraw/zinc/83/18/25/895831825.db2.gz VBZXUBBQEVGGEI-UHFFFAOYSA-N 0 1 401.942 4.046 20 0 HIADMN CSc1cc(Br)ccc1CN[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000480467997 895851102 /nfs/dbraw/zinc/85/11/02/895851102.db2.gz HSKJOJRBRIHSRR-KRWDZBQOSA-N 0 1 423.351 4.201 20 0 HIADMN O=C1[C@H](NCc2ccc(Cl)c(C(F)(F)F)c2)CCN1Cc1ccc(F)cc1 ZINC000480502180 895871560 /nfs/dbraw/zinc/87/15/60/895871560.db2.gz VTXPQSQANHBWJL-QGZVFWFLSA-N 0 1 400.803 4.389 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCOc3cccc4ccccc43)n2)cc1 ZINC000480511312 895878369 /nfs/dbraw/zinc/87/83/69/895878369.db2.gz CQMMXJDTNLPSMU-UHFFFAOYSA-N 0 1 418.522 4.221 20 0 HIADMN CCCCCNC(=O)C1CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000480511070 895878859 /nfs/dbraw/zinc/87/88/59/895878859.db2.gz JXIHMTBBKFMOJS-UHFFFAOYSA-N 0 1 413.537 4.318 20 0 HIADMN CC[C@H](C)n1nc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1C ZINC000480547426 895907257 /nfs/dbraw/zinc/90/72/57/895907257.db2.gz SVPYHCRWSOEYHM-HNNXBMFYSA-N 0 1 412.515 4.216 20 0 HIADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000480547196 895907417 /nfs/dbraw/zinc/90/74/17/895907417.db2.gz CALCQJLBKOHGEV-SFHVURJKSA-N 0 1 413.537 4.174 20 0 HIADMN CN(Cc1nc2ccc(Br)cc2[nH]1)Cc1nccn1Cc1ccccc1 ZINC000480562635 895923343 /nfs/dbraw/zinc/92/33/43/895923343.db2.gz XUKDWXKCDCMEIW-UHFFFAOYSA-N 0 1 410.319 4.202 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)[C@H]4CCC(=O)[C@H](C)C4)cc3)CC2)c1 ZINC000480576736 895937024 /nfs/dbraw/zinc/93/70/24/895937024.db2.gz DXZVPOAVNWODEX-IRLDBZIGSA-N 0 1 419.569 4.261 20 0 HIADMN CCOC(=O)c1sc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)nc1C(C)C ZINC000480579063 895939228 /nfs/dbraw/zinc/93/92/28/895939228.db2.gz KWNPWSOWQRMGGI-LBPRGKRZSA-N 0 1 404.536 4.033 20 0 HIADMN CC1(C)CC[C@H](CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)O1 ZINC000480579785 895940478 /nfs/dbraw/zinc/94/04/78/895940478.db2.gz LRVFYKLUBVWNAY-XMMPIXPASA-N 0 1 408.586 4.368 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)[C@@H]4CCC(=O)C[C@@H]4C)cc3)CC2)c1 ZINC000480592619 895954230 /nfs/dbraw/zinc/95/42/30/895954230.db2.gz AZKIEENDMYQPBH-NBGIEHNGSA-N 0 1 419.569 4.261 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000480618150 895986232 /nfs/dbraw/zinc/98/62/32/895986232.db2.gz WHICYHWBQFZUQW-ZIAGYGMSSA-N 0 1 405.491 4.150 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000480655709 896024533 /nfs/dbraw/zinc/02/45/33/896024533.db2.gz XPEPVPPRZTWVDJ-RTBURBONSA-N 0 1 411.502 4.082 20 0 HIADMN COc1cc([C@H](C)NCc2ccc(-c3cccc(F)c3F)o2)ccc1OCCO ZINC000480667963 896032894 /nfs/dbraw/zinc/03/28/94/896032894.db2.gz SBNLFTDZRUOHFB-AWEZNQCLSA-N 0 1 403.425 4.455 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCc1nc2cccc(Cl)c2n1C ZINC000480674470 896038088 /nfs/dbraw/zinc/03/80/88/896038088.db2.gz YAILGBFCOWMBCV-GFCCVEGCSA-N 0 1 421.328 4.396 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)[nH]n2)cc1 ZINC000480678117 896041289 /nfs/dbraw/zinc/04/12/89/896041289.db2.gz GMKOOJSKAIBHST-UHFFFAOYSA-N 0 1 416.437 4.491 20 0 HIADMN CN1CCC[C@H](CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)[C@H]1c1cccs1 ZINC000480679745 896042882 /nfs/dbraw/zinc/04/28/82/896042882.db2.gz JPUFKUIDIGSBTH-KDOFPFPSSA-N 0 1 416.971 4.043 20 0 HIADMN C[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(F)cc1Cl ZINC000480680135 896043026 /nfs/dbraw/zinc/04/30/26/896043026.db2.gz KIGTUPLMBADZBH-GFCCVEGCSA-N 0 1 400.878 4.009 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3cc(Br)ccc3OC)[nH]n2)c1 ZINC000480681348 896044736 /nfs/dbraw/zinc/04/47/36/896044736.db2.gz ZFQAGKLDKDTIGT-UHFFFAOYSA-N 0 1 402.248 4.109 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000480698757 896060270 /nfs/dbraw/zinc/06/02/70/896060270.db2.gz NZZNUHKKBDZKMA-RTBURBONSA-N 0 1 416.587 4.288 20 0 HIADMN O=C1[C@@H](N2CCN(CCc3cccs3)CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000480699539 896060505 /nfs/dbraw/zinc/06/05/05/896060505.db2.gz GDIOWHMSSSKDGR-IBGZPJMESA-N 0 1 424.397 4.021 20 0 HIADMN C[C@H](CC(=O)Nc1cccc(Cl)c1)N[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000480702433 896063281 /nfs/dbraw/zinc/06/32/81/896063281.db2.gz WFXUBBDEBQGPNX-SZNDQCEHSA-N 0 1 400.885 4.309 20 0 HIADMN CCN(C)C(=O)CN[C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000480712223 896074018 /nfs/dbraw/zinc/07/40/18/896074018.db2.gz IQCBBOVIVLUGFD-AWEZNQCLSA-N 0 1 408.365 4.018 20 0 HIADMN CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000480727228 896087995 /nfs/dbraw/zinc/08/79/95/896087995.db2.gz JTJGLPUKJJOZGG-CQSZACIVSA-N 0 1 405.336 4.448 20 0 HIADMN CC[C@@H](NCc1ccnc(OC2CCCC2)c1)c1ccccc1OCC(=O)N(C)C ZINC000480770038 896133307 /nfs/dbraw/zinc/13/33/07/896133307.db2.gz QZXALVVPUDSQGH-OAQYLSRUSA-N 0 1 411.546 4.111 20 0 HIADMN C[C@@H](NCc1cccnc1N(C)C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480771138 896133410 /nfs/dbraw/zinc/13/34/10/896133410.db2.gz BDPBYGZYRFQPEI-GOSISDBHSA-N 0 1 401.514 4.225 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3cccc(OC(F)F)c3)n2)cc1 ZINC000480792203 896160883 /nfs/dbraw/zinc/16/08/83/896160883.db2.gz BPBVOFOBMSCJKL-CYBMUJFWSA-N 0 1 418.469 4.351 20 0 HIADMN C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480796191 896164707 /nfs/dbraw/zinc/16/47/07/896164707.db2.gz POQIBTNFKQXKAX-LJQANCHMSA-N 0 1 421.516 4.487 20 0 HIADMN COc1ccc([C@H](CNC(=O)NCc2nccc3ccccc32)N2CCCCC2)cc1 ZINC000505377118 914039946 /nfs/dbraw/zinc/03/99/46/914039946.db2.gz LZTBHWSDOCVIIT-DEOSSOPVSA-N 0 1 418.541 4.270 20 0 HIADMN CC(C)(C)OC(=O)[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000480869291 896231927 /nfs/dbraw/zinc/23/19/27/896231927.db2.gz PDTROKZPFIRYPZ-SFHVURJKSA-N 0 1 416.319 4.498 20 0 HIADMN C[C@@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1ccc(Br)s1 ZINC000480890458 896246681 /nfs/dbraw/zinc/24/66/81/896246681.db2.gz SCXZERWAOYUBIF-CYBMUJFWSA-N 0 1 419.348 4.197 20 0 HIADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480893508 896250166 /nfs/dbraw/zinc/25/01/66/896250166.db2.gz CJMLAHLXNSRPCX-UZLBHIALSA-N 0 1 402.560 4.492 20 0 HIADMN CC[C@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1Br ZINC000480893143 896250895 /nfs/dbraw/zinc/25/08/95/896250895.db2.gz BMNLFQCRACAZGH-IBGZPJMESA-N 0 1 410.377 4.495 20 0 HIADMN COc1ccccc1COc1cccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1C ZINC000480911160 896268579 /nfs/dbraw/zinc/26/85/79/896268579.db2.gz SPTGLHRTFNNWHV-HNNXBMFYSA-N 0 1 408.502 4.367 20 0 HIADMN C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cnn(Cc2ccccc2)c1 ZINC000480920745 896278084 /nfs/dbraw/zinc/27/80/84/896278084.db2.gz MVMXPIZPDZYNHL-IBGZPJMESA-N 0 1 411.509 4.430 20 0 HIADMN COc1ccc2cc([C@@H](C)NCc3cccc(S(=O)(=O)NC(C)C)c3)ccc2c1 ZINC000481025176 896352393 /nfs/dbraw/zinc/35/23/93/896352393.db2.gz QHPGNSFKWHJJSP-QGZVFWFLSA-N 0 1 412.555 4.386 20 0 HIADMN CC(C)NS(=O)(=O)c1cccc(CN[C@H]2CCSc3c(Cl)cccc32)c1 ZINC000481024611 896352959 /nfs/dbraw/zinc/35/29/59/896352959.db2.gz PIDZIQUKWFJXEN-SFHVURJKSA-N 0 1 410.992 4.353 20 0 HIADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000481034765 896362604 /nfs/dbraw/zinc/36/26/04/896362604.db2.gz IGBGRIJQOZHQCP-ZDUSSCGKSA-N 0 1 419.547 4.017 20 0 HIADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 ZINC000481044279 896370673 /nfs/dbraw/zinc/37/06/73/896370673.db2.gz VIANKZVCUCZJFF-HNNXBMFYSA-N 0 1 415.584 4.186 20 0 HIADMN COc1ccc([C@H](NC(=O)c2ccc(CN3CCSCC3)cc2)C(F)(F)F)cc1 ZINC000505398775 914062677 /nfs/dbraw/zinc/06/26/77/914062677.db2.gz ZATBEYVDDSKKOK-IBGZPJMESA-N 0 1 424.488 4.277 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)NC[C@@](C)(CO)Cc2ccccc2)c1 ZINC000481118266 896445478 /nfs/dbraw/zinc/44/54/78/896445478.db2.gz WTPATVGZYKMWCU-MHZLTWQESA-N 0 1 416.565 4.290 20 0 HIADMN CC(C)C[C@@H](CO)N(C)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000481129660 896456776 /nfs/dbraw/zinc/45/67/76/896456776.db2.gz WWIMRAOFGFHHPB-NSHDSACASA-N 0 1 408.371 4.088 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000481135778 896463504 /nfs/dbraw/zinc/46/35/04/896463504.db2.gz HMUIHULCWFKXAD-SNVBAGLBSA-N 0 1 407.305 4.272 20 0 HIADMN CC(=O)N[C@@H](C)C1CCN([C@@H](C)c2nnc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000481141530 896469834 /nfs/dbraw/zinc/46/98/34/896469834.db2.gz PLLMZXKENVDFEP-RYUDHWBXSA-N 0 1 411.333 4.341 20 0 HIADMN C[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1nc(-c2cccc(F)c2)no1 ZINC000481175776 896512436 /nfs/dbraw/zinc/51/24/36/896512436.db2.gz JOLRMOOOZCTQKP-SNVBAGLBSA-N 0 1 416.254 4.365 20 0 HIADMN Cc1ccc(OC(F)F)c([C@H](C)NCc2ccccc2OCCN2CCOCC2)c1 ZINC000481186580 896532959 /nfs/dbraw/zinc/53/29/59/896532959.db2.gz DQDUMTHWYHTGFK-SFHVURJKSA-N 0 1 420.500 4.158 20 0 HIADMN C[C@H]1C[C@H](NCc2ccccc2OCCN2CCOCC2)c2ccsc2S1 ZINC000481188643 896536134 /nfs/dbraw/zinc/53/61/34/896536134.db2.gz JGTBBDSNXBEBIG-LPHOPBHVSA-N 0 1 404.601 4.174 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)n[nH]1 ZINC000481216446 896568384 /nfs/dbraw/zinc/56/83/84/896568384.db2.gz WESHMUFLTAICBD-QMMMGPOBSA-N 0 1 405.218 4.252 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)n[nH]1 ZINC000481216445 896568647 /nfs/dbraw/zinc/56/86/47/896568647.db2.gz WESHMUFLTAICBD-MRVPVSSYSA-N 0 1 405.218 4.252 20 0 HIADMN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)o1 ZINC000481235200 896584874 /nfs/dbraw/zinc/58/48/74/896584874.db2.gz NTQWYWDANKHAPU-QRWLVFNGSA-N 0 1 412.534 4.008 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(CN4CCSCC4)cc3C)n[nH]2)c1 ZINC000481237326 896587149 /nfs/dbraw/zinc/58/71/49/896587149.db2.gz BVXUCUWNPZCQTF-UHFFFAOYSA-N 0 1 422.554 4.195 20 0 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COc1ccc([C@H](NC(=O)CN[C@H](C)c2ccc(OC(F)F)cc2)C(C)C)cc1 ZINC000538119946 938508512 /nfs/dbraw/zinc/50/85/12/938508512.db2.gz YFVHBRNKDRXQTQ-QVKFZJNVSA-N 0 1 406.473 4.461 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc(Br)cc1F)c1cccc(OC(F)F)c1 ZINC000538121622 938509230 /nfs/dbraw/zinc/50/92/30/938509230.db2.gz ZSZZEFQNIOLNAS-JTQLQIEISA-N 0 1 417.225 4.479 20 0 HIADMN CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000538122174 938509594 /nfs/dbraw/zinc/50/95/94/938509594.db2.gz QNLMOAGUPIRZQA-VQIMIIECSA-N 0 1 404.514 4.281 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccccc1F)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000538124739 938511258 /nfs/dbraw/zinc/51/12/58/938511258.db2.gz ILFNCVJGFDJNSG-MRXNPFEDSA-N 0 1 423.463 4.435 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000538128584 938512896 /nfs/dbraw/zinc/51/28/96/938512896.db2.gz NZOYKMGJSSZGGD-WBVHZDCISA-N 0 1 419.529 4.125 20 0 HIADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000538128513 938513225 /nfs/dbraw/zinc/51/32/25/938513225.db2.gz KYRFHNWMKIBMQQ-DFBJGRDBSA-N 0 1 415.537 4.396 20 0 HIADMN COc1ccccc1NC(=O)CN[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538130887 938515273 /nfs/dbraw/zinc/51/52/73/938515273.db2.gz SLKRKVMPFIZUPS-QGZVFWFLSA-N 0 1 403.482 4.237 20 0 HIADMN CC(C)[N@H+](Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C[C@H]1CCCCO1 ZINC000538132061 938515906 /nfs/dbraw/zinc/51/59/06/938515906.db2.gz SJFHASKXRYCWSA-LJQANCHMSA-N 0 1 408.589 4.328 20 0 HIADMN C[C@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)c1c[nH]c2ncccc12 ZINC000538152209 938524074 /nfs/dbraw/zinc/52/40/74/938524074.db2.gz ULESMELWDRIGFB-IRXDYDNUSA-N 0 1 400.482 4.459 20 0 HIADMN COc1cc([C@H](C)NCC(=O)NCCc2ccc(Cl)cc2)ccc1OC(C)C ZINC000538152664 938524471 /nfs/dbraw/zinc/52/44/71/938524471.db2.gz FLRLWNQLVYXDSF-INIZCTEOSA-N 0 1 404.938 4.145 20 0 HIADMN COc1cc(-c2nnc(CN[C@@H](C)C(C)(C)c3ccccc3)o2)cc(OC)c1OC ZINC000538152460 938524541 /nfs/dbraw/zinc/52/45/41/938524541.db2.gz BZBIJBAVZLWKLO-HNNXBMFYSA-N 0 1 411.502 4.218 20 0 HIADMN COc1ccccc1[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000538153321 938524806 /nfs/dbraw/zinc/52/48/06/938524806.db2.gz QCEBZTCXWRVXNA-DLBZAZTESA-N 0 1 400.519 4.019 20 0 HIADMN CC(C)c1ccc(CCNC(=O)CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000538152459 938524982 /nfs/dbraw/zinc/52/49/82/938524982.db2.gz BCYVELWWFZAXMM-GOSISDBHSA-N 0 1 407.558 4.168 20 0 HIADMN C[C@@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1Oc1ccccc1 ZINC000538160686 938530347 /nfs/dbraw/zinc/53/03/47/938530347.db2.gz MERKANKBEHRECQ-MRXNPFEDSA-N 0 1 407.495 4.152 20 0 HIADMN CCc1nc(NC(=O)CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)sc1C ZINC000538164036 938532204 /nfs/dbraw/zinc/53/22/04/938532204.db2.gz TVSLDCUJLKRYFM-NSHDSACASA-N 0 1 401.454 4.244 20 0 HIADMN CC[C@@H](N[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1ccc2c(c1)OCCO2 ZINC000538175084 938535803 /nfs/dbraw/zinc/53/58/03/938535803.db2.gz IVELGWRVZHPGQH-RDTXWAMCSA-N 0 1 422.481 4.475 20 0 HIADMN O=S(=O)(CCCN[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000538176995 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20 0 HIADMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c(F)c1 ZINC000538194975 938548653 /nfs/dbraw/zinc/54/86/53/938548653.db2.gz NADSEMKFABDHFM-INIZCTEOSA-N 0 1 406.461 4.071 20 0 HIADMN CC[C@H](C)[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000538199232 938551592 /nfs/dbraw/zinc/55/15/92/938551592.db2.gz YIYYDVXGAZQBPN-VBKZILBWSA-N 0 1 408.951 4.059 20 0 HIADMN O=C(NC[C@@H]1CCCO1)c1cccc(CN[C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000538205417 938553497 /nfs/dbraw/zinc/55/34/97/938553497.db2.gz GIKCQZXKGWZXFS-FPOVZHCZSA-N 0 1 414.933 4.252 20 0 HIADMN Cc1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1Oc1ccncc1 ZINC000538223425 938563537 /nfs/dbraw/zinc/56/35/37/938563537.db2.gz NLUXOGUYRKEKCG-UHFFFAOYSA-N 0 1 417.509 4.391 20 0 HIADMN C[C@@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NCCc1ccc(F)cc1 ZINC000538225018 938564171 /nfs/dbraw/zinc/56/41/71/938564171.db2.gz PUPZPOYOPFANNM-JKSUJKDBSA-N 0 1 402.485 4.152 20 0 HIADMN COC(=O)c1ccsc1N1CC[C@@H](N[C@@H](C)c2ccc(-c3ccncc3)cc2)C1=O ZINC000538236613 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410.493 4.396 20 0 HIADMN CC(C)n1cnc(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC000538285067 938583107 /nfs/dbraw/zinc/58/31/07/938583107.db2.gz QDQXYSTYPDJHPT-ZDUSSCGKSA-N 0 1 415.359 4.065 20 0 HIADMN COc1ccc(-c2csc(CN[C@H](C)CS(=O)(=O)c3ccccc3)c2)cc1 ZINC000538292126 938584551 /nfs/dbraw/zinc/58/45/51/938584551.db2.gz BSZOXXXBDOZKEF-MRXNPFEDSA-N 0 1 401.553 4.376 20 0 HIADMN COc1cc(CN[C@@H](c2ccc(C)o2)C2CCCC2)ccc1OCC(=O)N(C)C ZINC000538292100 938584594 /nfs/dbraw/zinc/58/45/94/938584594.db2.gz ANEKIFRWGYXJAY-HSZRJFAPSA-N 0 1 400.519 4.085 20 0 HIADMN CCO[C@H](C)c1nc(CN2CCN(C[C@H](C)c3ccc(OC)cc3)CC2)cs1 ZINC000538304901 938588181 /nfs/dbraw/zinc/58/81/81/938588181.db2.gz MNWUFZWZQJZIKX-ZWKOTPCHSA-N 0 1 403.592 4.171 20 0 HIADMN CN1CC[C@@H](NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)[C@H]1c1ccccc1 ZINC000538308834 938589248 /nfs/dbraw/zinc/58/92/48/938589248.db2.gz DRBZSKRJLBZXIF-IAGOWNOFSA-N 0 1 412.383 4.065 20 0 HIADMN CC(C)[C@@H](O)C1(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CC1 ZINC000538326669 938593894 /nfs/dbraw/zinc/59/38/94/938593894.db2.gz UYFXEEDJFNSYOW-CYBMUJFWSA-N 0 1 420.382 4.136 20 0 HIADMN CCC[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(F)cc32)CCN1Cc1ccccc1 ZINC000538332636 938595553 /nfs/dbraw/zinc/59/55/53/938595553.db2.gz JMQVSDFOMUVYGL-IBGZPJMESA-N 0 1 407.489 4.206 20 0 HIADMN COc1ccc(-c2nc3c(s2)[C@H](NCC(=O)NCCc2ccccc2)CCC3)cc1 ZINC000538523633 938641694 /nfs/dbraw/zinc/64/16/94/938641694.db2.gz GQHTXVMXRAADOP-HXUWFJFHSA-N 0 1 421.566 4.145 20 0 HIADMN O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1nc3cc(Cl)ccc3n1Cc1ccccc1)C2 ZINC000538530604 938642672 /nfs/dbraw/zinc/64/26/72/938642672.db2.gz CJMOAWAFAXUDKJ-GAJHUEQPSA-N 0 1 409.917 4.425 20 0 HIADMN Fc1cc2ncnc(NC3CCN(Cc4cccnc4)CC3)c2cc1Br ZINC000563468775 945193148 /nfs/dbraw/zinc/19/31/48/945193148.db2.gz KLJCQNAHVBODPQ-UHFFFAOYSA-N 0 1 416.298 4.003 20 0 HIADMN CCCSc1nsc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000538614215 938661881 /nfs/dbraw/zinc/66/18/81/938661881.db2.gz GGLGQFIGABSFMI-ZDUSSCGKSA-N 0 1 415.548 4.194 20 0 HIADMN CCCSc1nsc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000538614215 938661882 /nfs/dbraw/zinc/66/18/82/938661882.db2.gz GGLGQFIGABSFMI-ZDUSSCGKSA-N 0 1 415.548 4.194 20 0 HIADMN O=C(Nc1cccc(N2CCCC2)c1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000538614054 938661887 /nfs/dbraw/zinc/66/18/87/938661887.db2.gz BFSDHTQKYNGCBY-FQEVSTJZSA-N 0 1 402.502 4.441 20 0 HIADMN O=C(Nc1cccc(N2CCCC2)c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000538614054 938661890 /nfs/dbraw/zinc/66/18/90/938661890.db2.gz BFSDHTQKYNGCBY-FQEVSTJZSA-N 0 1 402.502 4.441 20 0 HIADMN O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000538617910 938662657 /nfs/dbraw/zinc/66/26/57/938662657.db2.gz IHJVMCNWPKGOEC-MJGOQNOKSA-N 0 1 419.485 4.008 20 0 HIADMN O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000538617910 938662660 /nfs/dbraw/zinc/66/26/60/938662660.db2.gz IHJVMCNWPKGOEC-MJGOQNOKSA-N 0 1 419.485 4.008 20 0 HIADMN CCCOc1c(Br)cc(C(=O)Nc2cc(C(C)=O)ccc2O)cc1OC ZINC000538646647 938672404 /nfs/dbraw/zinc/67/24/04/938672404.db2.gz NZCCRYPYCXMUKM-UHFFFAOYSA-N 0 1 422.275 4.407 20 0 HIADMN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538651494 938673399 /nfs/dbraw/zinc/67/33/99/938673399.db2.gz HOSBLGZGZLHPBP-KRWDZBQOSA-N 0 1 414.431 4.439 20 0 HIADMN C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000538651548 938673416 /nfs/dbraw/zinc/67/34/16/938673416.db2.gz GAWHZYGJCLXWFL-FXAWDEMLSA-N 0 1 403.530 4.307 20 0 HIADMN COc1nc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc2ccccc21 ZINC000538651271 938673423 /nfs/dbraw/zinc/67/34/23/938673423.db2.gz DYPAZVBLCABEOH-GOSISDBHSA-N 0 1 413.481 4.048 20 0 HIADMN O=C(C[C@@H]1CCOc2ccccc21)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538652927 938673915 /nfs/dbraw/zinc/67/39/15/938673915.db2.gz RPISAQHHLGEUKR-RBUKOAKNSA-N 0 1 402.498 4.134 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000538657302 938675435 /nfs/dbraw/zinc/67/54/35/938675435.db2.gz PGCFLOLZRXJXTN-UHFFFAOYSA-N 0 1 407.433 4.436 20 0 HIADMN O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538663301 938677722 /nfs/dbraw/zinc/67/77/22/938677722.db2.gz VDKMWJKJPYQPLA-GOSISDBHSA-N 0 1 413.485 4.069 20 0 HIADMN COc1ccc(-c2nc(CN3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)no2)cc1 ZINC000538664298 938678215 /nfs/dbraw/zinc/67/82/15/938678215.db2.gz NPJWBKTXHRRDLB-GOSISDBHSA-N 0 1 422.533 4.291 20 0 HIADMN COc1ccc(-c2nc(CN3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)no2)cc1 ZINC000538664298 938678218 /nfs/dbraw/zinc/67/82/18/938678218.db2.gz NPJWBKTXHRRDLB-GOSISDBHSA-N 0 1 422.533 4.291 20 0 HIADMN COc1ccc(F)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538664160 938678356 /nfs/dbraw/zinc/67/83/56/938678356.db2.gz LDUZFDSRQUEZQD-HNNXBMFYSA-N 0 1 401.486 4.412 20 0 HIADMN CC(C)Oc1ncccc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538665847 938680258 /nfs/dbraw/zinc/68/02/58/938680258.db2.gz MLKCVEXYUXOHKS-QGZVFWFLSA-N 0 1 412.538 4.446 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)N2CCCC2)c1 ZINC000538668642 938680958 /nfs/dbraw/zinc/68/09/58/938680958.db2.gz WUKNWCUXVVULFQ-HXUWFJFHSA-N 0 1 421.463 4.091 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)N3CCC[C@H]3c3cccc(C)n3)CCN2C2CC2)c1 ZINC000538710301 938687753 /nfs/dbraw/zinc/68/77/53/938687753.db2.gz RETXHKQKVMOICC-KMDXXIMOSA-N 0 1 420.557 4.223 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)N3CCC[C@@H]3c3cccc(C)n3)CCN2C2CC2)c1 ZINC000538710302 938687889 /nfs/dbraw/zinc/68/78/89/938687889.db2.gz RETXHKQKVMOICC-RBZQAINGSA-N 0 1 420.557 4.223 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCC(C2CC2)C2CC2)c2cc(F)ccc2F)c1 ZINC000538712942 938687987 /nfs/dbraw/zinc/68/79/87/938687987.db2.gz HWJRTUPSVKWFMJ-QFIPXVFZSA-N 0 1 405.510 4.484 20 0 HIADMN C[C@H](C[C@@H]1CCCO1)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000538714838 938688422 /nfs/dbraw/zinc/68/84/22/938688422.db2.gz DJWHRPHJEITORV-DAESXHAQSA-N 0 1 409.498 4.005 20 0 HIADMN COc1ccc(-c2n[nH]cc2CN(C)Cc2cc(OC)c(OC)cc2SC)cc1 ZINC000538720385 938690837 /nfs/dbraw/zinc/69/08/37/938690837.db2.gz WIRWVDNFDVQMKM-UHFFFAOYSA-N 0 1 413.543 4.456 20 0 HIADMN O[C@H]([C@H]1CCCN1Cc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC000538732779 938695691 /nfs/dbraw/zinc/69/56/91/938695691.db2.gz RSYAEHWSEAJOJM-ZIAGYGMSSA-N 0 1 421.282 4.460 20 0 HIADMN C[C@@H](c1cccnc1)N1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000538740060 938698355 /nfs/dbraw/zinc/69/83/55/938698355.db2.gz GHRRTWYTBAFDMM-KRWDZBQOSA-N 0 1 415.463 4.165 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000538752391 938702737 /nfs/dbraw/zinc/70/27/37/938702737.db2.gz GCRRNFYXYGRJAZ-QGZVFWFLSA-N 0 1 408.468 4.090 20 0 HIADMN Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000538758904 938703628 /nfs/dbraw/zinc/70/36/28/938703628.db2.gz SCGKWXBLKLTQRN-IBGZPJMESA-N 0 1 424.511 4.461 20 0 HIADMN CCOc1cc(CN2CC[C@H](CN(CC)CC(F)(F)F)C2)cc(Cl)c1OC ZINC000538761682 938704280 /nfs/dbraw/zinc/70/42/80/938704280.db2.gz UAINGPCQXOGDOX-CQSZACIVSA-N 0 1 408.892 4.453 20 0 HIADMN COc1cc(-c2noc(CN3CCC[C@@H]3Cn3cnc4ccccc43)n2)ccc1C ZINC000538783829 938709907 /nfs/dbraw/zinc/70/99/07/938709907.db2.gz KMLKZBVBRWOPIP-GOSISDBHSA-N 0 1 403.486 4.068 20 0 HIADMN COc1ccccc1COC1CCN([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000538786928 938711290 /nfs/dbraw/zinc/71/12/90/938711290.db2.gz VEXMBSCUJYUEFN-MOPGFXCFSA-N 0 1 408.542 4.043 20 0 HIADMN CCn1c(SCC(=O)Nc2ccc3c(C)[nH]nc3c2)nnc1-c1cccc(C)c1 ZINC000538808971 938718143 /nfs/dbraw/zinc/71/81/43/938718143.db2.gz DMOGDRAUWHIHJC-UHFFFAOYSA-N 0 1 406.515 4.189 20 0 HIADMN Cc1nc(-c2cc3c(s2)CCN(C[C@@H](O)COCc2ccccc2F)C3)cs1 ZINC000538952790 938747334 /nfs/dbraw/zinc/74/73/34/938747334.db2.gz FFXIPSZKMFJJLV-QGZVFWFLSA-N 0 1 418.559 4.255 20 0 HIADMN C[C@H](CCO)N(CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccccc1 ZINC000538954534 938747833 /nfs/dbraw/zinc/74/78/33/938747833.db2.gz QKGKWHVWAFXELS-NTKDMRAZSA-N 0 1 408.567 4.227 20 0 HIADMN COc1ccc(CN(CC(=O)N(C)c2nccs2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000538955684 938748474 /nfs/dbraw/zinc/74/84/74/938748474.db2.gz KEEMIQXLIDIMKX-AEFFLSMTSA-N 0 1 417.575 4.204 20 0 HIADMN Nc1nc(CCN2CCC(C(=O)c3ccccc3)CC2)nc2sc3c(c21)CCCC3 ZINC000538978386 938757589 /nfs/dbraw/zinc/75/75/89/938757589.db2.gz XVQHPDIMOUBPKU-UHFFFAOYSA-N 0 1 420.582 4.290 20 0 HIADMN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000538979935 938757923 /nfs/dbraw/zinc/75/79/23/938757923.db2.gz GZMUXVDSQXIOJQ-LBPRGKRZSA-N 0 1 403.408 4.288 20 0 HIADMN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000538980570 938758034 /nfs/dbraw/zinc/75/80/34/938758034.db2.gz OPTZMARAWMALQK-DIFFPNOSSA-N 0 1 404.417 4.407 20 0 HIADMN CN(C)[C@H](CNC(=O)N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000538995507 938763139 /nfs/dbraw/zinc/76/31/39/938763139.db2.gz OJJGLPSYMFNRLA-CEWLAPEOSA-N 0 1 401.938 4.020 20 0 HIADMN Cc1ncc(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)s1 ZINC000539008681 938767483 /nfs/dbraw/zinc/76/74/83/938767483.db2.gz BFVFMTYFTUNANU-UHFFFAOYSA-N 0 1 405.352 4.304 20 0 HIADMN O=S(=O)(c1ccc(CN[C@@H]2CCSc3c(F)cccc32)cc1)N1CCCCC1 ZINC000539020338 938771168 /nfs/dbraw/zinc/77/11/68/938771168.db2.gz JFHIEIUFIBJYFO-HXUWFJFHSA-N 0 1 420.575 4.327 20 0 HIADMN COc1cc([C@@H](C)N[C@@H](CO)c2ccc(Br)cc2)ccc1OC(F)F ZINC000539042702 938778634 /nfs/dbraw/zinc/77/86/34/938778634.db2.gz GLTTWXJFLRPISX-ABAIWWIYSA-N 0 1 416.262 4.443 20 0 HIADMN CCc1nc2c(s1)[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)CCC2 ZINC000539045475 938780855 /nfs/dbraw/zinc/78/08/55/938780855.db2.gz AGVLTJPNMMMCGV-HBFSDRIKSA-N 0 1 405.995 4.398 20 0 HIADMN Cc1c([C@@H](C)NCCc2nnc(-c3ccccc3)o2)nnn1-c1cccc(Cl)c1 ZINC000539046910 938781653 /nfs/dbraw/zinc/78/16/53/938781653.db2.gz JNUWWZYHYQQVFO-CQSZACIVSA-N 0 1 408.893 4.172 20 0 HIADMN C[C@@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1cc(F)cc(F)c1 ZINC000539052561 938783842 /nfs/dbraw/zinc/78/38/42/938783842.db2.gz MAWZYZRAHZIQDR-QGZVFWFLSA-N 0 1 422.541 4.377 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCCS(=O)(=O)c1ccc(F)cc1 ZINC000539059510 938786913 /nfs/dbraw/zinc/78/69/13/938786913.db2.gz PKVRDDDJYMOIMJ-AWEZNQCLSA-N 0 1 404.532 4.382 20 0 HIADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccccc2OCc2ccccc2)cc1 ZINC000539064347 938789733 /nfs/dbraw/zinc/78/97/33/938789733.db2.gz BNRVPXJWXVTGLT-SFHVURJKSA-N 0 1 410.539 4.025 20 0 HIADMN C[C@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000539091472 938801444 /nfs/dbraw/zinc/80/14/44/938801444.db2.gz WGSNQTJZZFOEPR-YJBOKZPZSA-N 0 1 420.912 4.004 20 0 HIADMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(OC[C@@H]3CCCCO3)c(F)c2)c1 ZINC000539092852 938801651 /nfs/dbraw/zinc/80/16/51/938801651.db2.gz GAPNOONGOZKEFA-UTKZUKDTSA-N 0 1 414.521 4.374 20 0 HIADMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(OC[C@H]3CCCCO3)c(F)c2)c1 ZINC000539092844 938801788 /nfs/dbraw/zinc/80/17/88/938801788.db2.gz GAPNOONGOZKEFA-DYESRHJHSA-N 0 1 414.521 4.374 20 0 HIADMN CCc1ccc([C@@H](NC(=O)CN2CCC(C)(COC)CC2)c2cccs2)cc1 ZINC000539098095 938802502 /nfs/dbraw/zinc/80/25/02/938802502.db2.gz DIXPFGHJNJZPNS-JOCHJYFZSA-N 0 1 400.588 4.265 20 0 HIADMN Cc1c(NS(=O)(=O)c2cccc(Br)c2C)[nH]nc1-c1ccccc1 ZINC000539112444 938804763 /nfs/dbraw/zinc/80/47/63/938804763.db2.gz GXLIUTUITJLZOU-UHFFFAOYSA-N 0 1 406.305 4.257 20 0 HIADMN COCCOc1c(Cl)cc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000539116503 938805257 /nfs/dbraw/zinc/80/52/57/938805257.db2.gz HRVICRJCVMEWTN-UHFFFAOYSA-N 0 1 412.241 4.098 20 0 HIADMN Fc1ccc(-c2n[nH]c(CN[C@H]3CCCOc4ccc(Br)cc43)n2)cc1 ZINC000539119549 938805356 /nfs/dbraw/zinc/80/53/56/938805356.db2.gz RGXQQAKMZFHXBY-INIZCTEOSA-N 0 1 417.282 4.377 20 0 HIADMN CCCN1C(=O)CCc2cc(NC(=O)NC[C@H](c3ccco3)N(CC)CC)ccc21 ZINC000539131385 938808207 /nfs/dbraw/zinc/80/82/07/938808207.db2.gz HRJCZCWBYPGWPD-HXUWFJFHSA-N 0 1 412.534 4.173 20 0 HIADMN COCCOc1c(Cl)cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1Cl ZINC000539145503 938810953 /nfs/dbraw/zinc/81/09/53/938810953.db2.gz MIUDOFGOBRXTJM-UHFFFAOYSA-N 0 1 407.253 4.112 20 0 HIADMN CC[C@H](CSC)N(C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539180279 938816426 /nfs/dbraw/zinc/81/64/26/938816426.db2.gz AULPDAKPUYJNAI-RKVPGOIHSA-N 0 1 401.979 4.255 20 0 HIADMN CC[C@H](CSC)N(C)C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539180278 938816497 /nfs/dbraw/zinc/81/64/97/938816497.db2.gz AULPDAKPUYJNAI-IIDMSEBBSA-N 0 1 401.979 4.255 20 0 HIADMN COC[C@@H](N[C@@H](C)c1ccc(OCc2nccn2C)cc1)c1ccc(F)c(F)c1 ZINC000539197965 938818202 /nfs/dbraw/zinc/81/82/02/938818202.db2.gz JFLCYIPQLFWJPO-YCRPNKLZSA-N 0 1 401.457 4.316 20 0 HIADMN COC[C@H](N[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000539197228 938818239 /nfs/dbraw/zinc/81/82/39/938818239.db2.gz RYVXPWOPOLVWMK-VLIAUNLRSA-N 0 1 410.892 4.333 20 0 HIADMN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(F)cc1F ZINC000539205470 938819030 /nfs/dbraw/zinc/81/90/30/938819030.db2.gz ISGDRCWLBINAAL-MRXNPFEDSA-N 0 1 422.382 4.231 20 0 HIADMN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc(F)c1 ZINC000539206167 938819144 /nfs/dbraw/zinc/81/91/44/938819144.db2.gz QSCRGIGPBCSRLY-INIZCTEOSA-N 0 1 418.419 4.482 20 0 HIADMN COc1ccc([C@@H](NCc2ccccc2S(=O)(=O)N2CCCCC2)C2CC2)cc1 ZINC000539215086 938819766 /nfs/dbraw/zinc/81/97/66/938819766.db2.gz IAYPPIISOAQACB-QHCPKHFHSA-N 0 1 414.571 4.111 20 0 HIADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000539216264 938820142 /nfs/dbraw/zinc/82/01/42/938820142.db2.gz CCJXRLUQHISUDM-AUUYWEPGSA-N 0 1 410.967 4.434 20 0 HIADMN CCN(C(=O)CN[C@H](C)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000539223263 938821178 /nfs/dbraw/zinc/82/11/78/938821178.db2.gz BYGKVDMALBBXGR-CVEARBPZSA-N 0 1 418.509 4.112 20 0 HIADMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000539224928 938821181 /nfs/dbraw/zinc/82/11/81/938821181.db2.gz DCZJFDKJQXSFGY-GVDBMIGSSA-N 0 1 414.546 4.191 20 0 HIADMN COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@H](C)c2cccc(OC(C)C)c2)c1 ZINC000539225385 938821396 /nfs/dbraw/zinc/82/13/96/938821396.db2.gz FLZKNAOMKDRDFG-IAGOWNOFSA-N 0 1 400.519 4.019 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000539225617 938821428 /nfs/dbraw/zinc/82/14/28/938821428.db2.gz DLCLZTDGJCVNFZ-LLVKDONJSA-N 0 1 413.301 4.309 20 0 HIADMN CCOc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(Br)cc2)cc1 ZINC000539248611 938825519 /nfs/dbraw/zinc/82/55/19/938825519.db2.gz WSOXJGKNMRLAQG-OAHLLOKOSA-N 0 1 405.336 4.157 20 0 HIADMN CC[C@H](N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1OC(F)F ZINC000539251129 938826055 /nfs/dbraw/zinc/82/60/55/938826055.db2.gz KPWMFYZUNGOIQX-JCGIZDLHSA-N 0 1 404.457 4.357 20 0 HIADMN CCc1ccc(CNC(=O)CN[C@H](C)c2cccc(OCc3ccccn3)c2)s1 ZINC000539251231 938826116 /nfs/dbraw/zinc/82/61/16/938826116.db2.gz LOMYOPCMORDXKX-QGZVFWFLSA-N 0 1 409.555 4.252 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1cccc(OCc2ccccn2)c1 ZINC000539252266 938826509 /nfs/dbraw/zinc/82/65/09/938826509.db2.gz JUPCRSDYRSUGMQ-GOSISDBHSA-N 0 1 401.510 4.439 20 0 HIADMN C[C@@H](NCC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1Oc1ccccc1 ZINC000539256460 938827940 /nfs/dbraw/zinc/82/79/40/938827940.db2.gz CZIMIOAWCBNQGS-GOSISDBHSA-N 0 1 417.509 4.470 20 0 HIADMN Cc1c2ccccc2oc1[C@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000539259076 938828635 /nfs/dbraw/zinc/82/86/35/938828635.db2.gz MHHNNMLQYYKMDK-OAQYLSRUSA-N 0 1 414.527 4.070 20 0 HIADMN CC[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)c1ccccc1OCc1ccccc1Br ZINC000539260354 938828814 /nfs/dbraw/zinc/82/88/14/938828814.db2.gz AGBIOFJHEQJCPO-MRXNPFEDSA-N 0 1 417.307 4.093 20 0 HIADMN CCNC(=O)c1cccc(NC(=O)CN[C@H](c2oc3ccccc3c2C)C(C)C)c1 ZINC000539261349 938829149 /nfs/dbraw/zinc/82/91/49/938829149.db2.gz NMVBXCNJEZKGQG-QFIPXVFZSA-N 0 1 407.514 4.416 20 0 HIADMN COc1ccccc1[C@H](C)NC(=O)CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000539262627 938829243 /nfs/dbraw/zinc/82/92/43/938829243.db2.gz LFZRULGSUPVHKK-GJZGRUSLSA-N 0 1 410.436 4.164 20 0 HIADMN CCOc1ccc([C@@H](C)NCC(=O)N2CCc3sccc3[C@@H]2CC)cc1OC ZINC000539266027 938830082 /nfs/dbraw/zinc/83/00/82/938830082.db2.gz KTBGTXHQXKIFFT-QAPCUYQASA-N 0 1 402.560 4.342 20 0 HIADMN COc1ccc(C)cc1NC(=O)CN[C@@H](COc1ccccc1F)c1ccccc1 ZINC000539267016 938830113 /nfs/dbraw/zinc/83/01/13/938830113.db2.gz DXTUTGUUGWEZPX-NRFANRHFSA-N 0 1 408.473 4.491 20 0 HIADMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc(C)ccc2OC)cc1OCC ZINC000539268506 938830424 /nfs/dbraw/zinc/83/04/24/938830424.db2.gz QEEOKDVRUXMRHV-IRXDYDNUSA-N 0 1 400.519 4.479 20 0 HIADMN COc1ccc([C@@H](C)NCC(=O)Nc2cc(C)nn2C(C)(C)C)cc1Br ZINC000539269867 938830763 /nfs/dbraw/zinc/83/07/63/938830763.db2.gz LRTITMBLZYSRMO-CYBMUJFWSA-N 0 1 423.355 4.007 20 0 HIADMN C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCO2 ZINC000539271335 938831100 /nfs/dbraw/zinc/83/11/00/938831100.db2.gz ZTBGELXFEYOKEB-JTQLQIEISA-N 0 1 400.784 4.377 20 0 HIADMN COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000539279700 938832518 /nfs/dbraw/zinc/83/25/18/938832518.db2.gz SOALUVQGJHNYIH-HSZRJFAPSA-N 0 1 417.484 4.224 20 0 HIADMN CCOc1cccc([C@@H](C)NCC(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000539279008 938832605 /nfs/dbraw/zinc/83/26/05/938832605.db2.gz ZRPZFWKGAQCKQG-DYESRHJHSA-N 0 1 412.530 4.117 20 0 HIADMN C[C@@H](N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)Nc1cccc(F)c1 ZINC000539286532 938833960 /nfs/dbraw/zinc/83/39/60/938833960.db2.gz LITMWEGAMMKRSN-HZPDHXFCSA-N 0 1 406.461 4.151 20 0 HIADMN CN(C(=O)CN[C@H](CCCO)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000539296695 938835563 /nfs/dbraw/zinc/83/55/63/938835563.db2.gz JFYDMANDJMAFQP-XMMPIXPASA-N 0 1 402.538 4.338 20 0 HIADMN COc1ccc(CNC(=O)CN[C@H](C)c2ccc(SC(C)C)cc2)cc1OC ZINC000539304133 938837371 /nfs/dbraw/zinc/83/73/71/938837371.db2.gz BEXJZGQHPKENGP-MRXNPFEDSA-N 0 1 402.560 4.171 20 0 HIADMN COC(=O)c1ccccc1N(C)C(=O)CN[C@H](C)c1ccc(SC(C)C)cc1 ZINC000539304068 938837387 /nfs/dbraw/zinc/83/73/87/938837387.db2.gz UODZJCYSYRVVMU-MRXNPFEDSA-N 0 1 400.544 4.287 20 0 HIADMN Cc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cccc(N3CCCC3=O)c2)C2CC2)cc1 ZINC000539309709 938838601 /nfs/dbraw/zinc/83/86/01/938838601.db2.gz XBCIKTKNUNGHBT-AVRWGWEMSA-N 0 1 405.542 4.040 20 0 HIADMN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 ZINC000539310506 938838825 /nfs/dbraw/zinc/83/88/25/938838825.db2.gz DOTPNPYFHUNGNO-IRXDYDNUSA-N 0 1 413.949 4.337 20 0 HIADMN C[C@@H](NCC(=O)NCCc1cccc2cccnc21)c1ccc(-c2cccnc2)cc1 ZINC000539324232 938841431 /nfs/dbraw/zinc/84/14/31/938841431.db2.gz KTHIHBVTBGQISR-LJQANCHMSA-N 0 1 410.521 4.306 20 0 HIADMN Cc1cccc(OCCCNC(=O)CN[C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000539337711 938844360 /nfs/dbraw/zinc/84/43/60/938844360.db2.gz URTNARSBJLGAGJ-FQEVSTJZSA-N 0 1 403.526 4.293 20 0 HIADMN CC[C@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cccc(Cl)c3Cl)ccc2NC1=O ZINC000539358015 938847900 /nfs/dbraw/zinc/84/79/00/938847900.db2.gz JJWPURAAVHNVCF-BDJLRTHQSA-N 0 1 422.312 4.392 20 0 HIADMN Cc1c([C@@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000539370201 938850130 /nfs/dbraw/zinc/85/01/30/938850130.db2.gz XIOGIILFRBYHAL-CVEARBPZSA-N 0 1 412.484 4.329 20 0 HIADMN COc1ccccc1[C@H](CC(C)C)NCC(=O)NCCc1nc2ccccc2s1 ZINC000539376534 938851241 /nfs/dbraw/zinc/85/12/41/938851241.db2.gz IQFAOZICLFEOFM-IBGZPJMESA-N 0 1 411.571 4.341 20 0 HIADMN Cc1cccc(Cc2cnc(NC(=O)CN[C@H](c3cnn(C)c3)C(C)(C)C)s2)c1 ZINC000539377440 938851527 /nfs/dbraw/zinc/85/15/27/938851527.db2.gz NAOGOWLECHTHEG-HXUWFJFHSA-N 0 1 411.575 4.091 20 0 HIADMN Cn1cc([C@@H](NCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C(C)(C)C)cn1 ZINC000539378913 938851574 /nfs/dbraw/zinc/85/15/74/938851574.db2.gz HDIWBSFZAMNNHH-DHIUTWEWSA-N 0 1 422.598 4.333 20 0 HIADMN CCC[C@H]1CN(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)CCN1Cc1ccccc1 ZINC000539459873 938864064 /nfs/dbraw/zinc/86/40/64/938864064.db2.gz YLSYQJYJMVULBV-ADXZGYQBSA-N 0 1 417.550 4.082 20 0 HIADMN COc1cc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc(OC)c1Br ZINC000539463090 938864422 /nfs/dbraw/zinc/86/44/22/938864422.db2.gz ZSVNTAKVYHIISD-UHFFFAOYSA-N 0 1 408.277 4.170 20 0 HIADMN Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000539505317 938870081 /nfs/dbraw/zinc/87/00/81/938870081.db2.gz UAHXIVHECQNPFI-SFTDATJTSA-N 0 1 415.969 4.147 20 0 HIADMN Cc1[nH]c(SCC(=O)N(Cc2ccccc2)CC(C)(C)O)nc1Cc1ccccc1 ZINC000539527820 938873540 /nfs/dbraw/zinc/87/35/40/938873540.db2.gz WIOHBALSDFDONP-UHFFFAOYSA-N 0 1 423.582 4.201 20 0 HIADMN CCC(CC)n1nc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1C ZINC000539581285 938883254 /nfs/dbraw/zinc/88/32/54/938883254.db2.gz QBWLXNHOAFLRQG-UHFFFAOYSA-N 0 1 406.534 4.358 20 0 HIADMN Cc1cc2ncc([C@@H](C)Nc3ccc(NC(=O)CN4CCCCCC4)cc3)c(C)n2n1 ZINC000539637640 938891978 /nfs/dbraw/zinc/89/19/78/938891978.db2.gz AMHZJQZVCNJZGC-GOSISDBHSA-N 0 1 420.561 4.334 20 0 HIADMN Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1[C@@H](C)C1CC1 ZINC000539674613 938898657 /nfs/dbraw/zinc/89/86/57/938898657.db2.gz LKHBLHJUEDNUCB-KXBFYZLASA-N 0 1 420.479 4.186 20 0 HIADMN O=C(CCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1)c1ccc(F)cc1 ZINC000539717674 938911165 /nfs/dbraw/zinc/91/11/65/938911165.db2.gz KNIZUJLBSPLKOG-UHFFFAOYSA-N 0 1 408.517 4.302 20 0 HIADMN O=C(COc1cccc(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539743561 938918515 /nfs/dbraw/zinc/91/85/15/938918515.db2.gz HCSASSQOMGODGG-MRXNPFEDSA-N 0 1 402.926 4.291 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000539743663 938918628 /nfs/dbraw/zinc/91/86/28/938918628.db2.gz BULHQAGZFOLGSI-MOPGFXCFSA-N 0 1 401.482 4.159 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)[nH]n2)o1 ZINC000539744754 938918874 /nfs/dbraw/zinc/91/88/74/938918874.db2.gz KIDWJWCCFQCDQP-INIZCTEOSA-N 0 1 408.506 4.164 20 0 HIADMN Cc1nnc(-c2ccccc2C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)o1 ZINC000539745682 938919195 /nfs/dbraw/zinc/91/91/95/938919195.db2.gz XHWCOEQKEUNZHR-QGZVFWFLSA-N 0 1 420.517 4.231 20 0 HIADMN O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539750188 938920261 /nfs/dbraw/zinc/92/02/61/938920261.db2.gz AJNTXWRVXCXOHQ-VDZJLULYSA-N 0 1 408.452 4.260 20 0 HIADMN O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539750722 938920342 /nfs/dbraw/zinc/92/03/42/938920342.db2.gz CHZQAHNKHHJDIM-AEFFLSMTSA-N 0 1 422.916 4.082 20 0 HIADMN C[C@H]1CCN(c2cc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)ccn2)C1 ZINC000539750871 938920362 /nfs/dbraw/zinc/92/03/62/938920362.db2.gz GGBIUUVJRBNPTQ-FXAWDEMLSA-N 0 1 422.577 4.113 20 0 HIADMN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539750211 938920382 /nfs/dbraw/zinc/92/03/82/938920382.db2.gz DKAPUVMRAUQTLQ-FQEVSTJZSA-N 0 1 424.508 4.257 20 0 HIADMN O=C(c1coc(Br)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539750851 938920494 /nfs/dbraw/zinc/92/04/94/938920494.db2.gz FORZKUGWMVPBAL-ZDUSSCGKSA-N 0 1 407.312 4.228 20 0 HIADMN O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539750183 938920575 /nfs/dbraw/zinc/92/05/75/938920575.db2.gz AJNTXWRVXCXOHQ-HHXXYDBFSA-N 0 1 408.452 4.260 20 0 HIADMN O=C(COc1ccccc1Cl)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 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O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000541219956 939486269 /nfs/dbraw/zinc/48/62/69/939486269.db2.gz GIRXLGOEZVKBHK-UHFFFAOYSA-N 0 1 420.275 4.406 20 0 HIADMN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cccc(CN(C)Cc3ccccc3)c2)n1 ZINC000541260870 939488139 /nfs/dbraw/zinc/48/81/39/939488139.db2.gz VRXJYXQMNNRIJQ-SFHVURJKSA-N 0 1 422.529 4.071 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC(=O)N(C)c3ccccc32)c1 ZINC000541263143 939488311 /nfs/dbraw/zinc/48/83/11/939488311.db2.gz WNJHCNUEHUXFSW-UHFFFAOYSA-N 0 1 413.521 4.332 20 0 HIADMN C[C@@H](N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccc(OCC2CC2)c(F)c1 ZINC000541300786 939490103 /nfs/dbraw/zinc/49/01/03/939490103.db2.gz HWVCAOGTCQULEV-BFUOFWGJSA-N 0 1 424.438 4.381 20 0 HIADMN Cc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2cnc(C)[nH]c2=O)cc1C ZINC000541380061 939501377 /nfs/dbraw/zinc/50/13/77/939501377.db2.gz KEXNXJYTHLBXLA-UHFFFAOYSA-N 0 1 413.525 4.309 20 0 HIADMN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)CCSc2nnc(C)[nH]2)c1 ZINC000541447114 939518519 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/nfs/dbraw/zinc/71/02/39/939710239.db2.gz RLUUWAUZDWWOPG-UHFFFAOYSA-N 0 1 406.660 4.245 20 0 HIADMN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)CCc1cccc(F)c1 ZINC000542131418 939724743 /nfs/dbraw/zinc/72/47/43/939724743.db2.gz XQFPAKQVLFZPOG-OAHLLOKOSA-N 0 1 413.493 4.335 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1 ZINC000542215680 939760525 /nfs/dbraw/zinc/76/05/25/939760525.db2.gz YGPUYINPKWRRJO-UHFFFAOYSA-N 0 1 414.509 4.314 20 0 HIADMN C[C@H](CN(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1nccs1 ZINC000542237668 939770235 /nfs/dbraw/zinc/77/02/35/939770235.db2.gz BJSRZJGCEMLPCT-XUWXXGDYSA-N 0 1 424.973 4.374 20 0 HIADMN COc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1OC1CCCC1 ZINC000542326375 939800958 /nfs/dbraw/zinc/80/09/58/939800958.db2.gz RKPQHVUJVFFPQE-FQEVSTJZSA-N 0 1 400.494 4.188 20 0 HIADMN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000542352805 939806166 /nfs/dbraw/zinc/80/61/66/939806166.db2.gz TUZZFWIOVWIHOV-QHCPKHFHSA-N 0 1 410.945 4.154 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O=C([C@@H](Cc1ccccc1)N[C@H]1CCc2sc(Br)cc21)N1CCCC1 ZINC000559753711 944043651 /nfs/dbraw/zinc/04/36/51/944043651.db2.gz QLHRKLQYWMWOJG-DLBZAZTESA-N 0 1 419.388 4.321 20 0 HIADMN O=C([C@H](Cc1ccccc1)N[C@H]1CCc2sc(Br)cc21)N1CCCC1 ZINC000559753713 944044052 /nfs/dbraw/zinc/04/40/52/944044052.db2.gz QLHRKLQYWMWOJG-IRXDYDNUSA-N 0 1 419.388 4.321 20 0 HIADMN Cc1ccc(CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)c(OCCC(C)C)c1 ZINC000559773787 944047858 /nfs/dbraw/zinc/04/78/58/944047858.db2.gz IKOFDPKUNDBODQ-JOCHJYFZSA-N 0 1 416.587 4.235 20 0 HIADMN Fc1ccc([C@H](Nc2ccc3c(c2)N(CC(F)F)CCS3)c2nnc[nH]2)cc1 ZINC000559842298 944064868 /nfs/dbraw/zinc/06/48/68/944064868.db2.gz FDFRMKKWWYKNTL-SFHVURJKSA-N 0 1 405.449 4.323 20 0 HIADMN CCOc1cc(CNCc2ccnc(N3CCCC3)c2)cc(Br)c1OC ZINC000559852455 944068025 /nfs/dbraw/zinc/06/80/25/944068025.db2.gz BDAUSERYHFZKMS-UHFFFAOYSA-N 0 1 420.351 4.141 20 0 HIADMN COC(=O)c1csc([C@H](C)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC000559901272 944080001 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CC(C)c1cc(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c2ccccc2n1 ZINC000560045007 944138893 /nfs/dbraw/zinc/13/88/93/944138893.db2.gz GAMUOWRAFAJNAR-RUZDIDTESA-N 0 1 416.569 4.077 20 0 HIADMN Fc1ccc([C@H](NCc2cccc(I)c2)[C@@H]2CCCO2)cc1 ZINC000560048034 944139732 /nfs/dbraw/zinc/13/97/32/944139732.db2.gz IAKNQXOSLVDCPM-ROUUACIJSA-N 0 1 411.258 4.440 20 0 HIADMN Cc1ccc(CNCc2cccc(I)c2)c(O[C@H]2CCOC2)c1 ZINC000560079741 944151740 /nfs/dbraw/zinc/15/17/40/944151740.db2.gz DJHXSEQTOAAKKN-SFHVURJKSA-N 0 1 423.294 4.057 20 0 HIADMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000560149359 944179069 /nfs/dbraw/zinc/17/90/69/944179069.db2.gz CGYKQDMSZGEAKR-GOSISDBHSA-N 0 1 401.388 4.309 20 0 HIADMN FCCCCCN1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000560157494 944181656 /nfs/dbraw/zinc/18/16/56/944181656.db2.gz WHUCXYZPCYFDNA-UHFFFAOYSA-N 0 1 400.420 4.013 20 0 HIADMN O=C1[C@@H](N[C@@H](c2cncc(Br)c2)C2CC2)CCN1c1cccc(Cl)c1 ZINC000560177908 944188458 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ZINC000436369507 861706699 /nfs/dbraw/zinc/70/66/99/861706699.db2.gz NLQHGTXXPPTAHP-UHFFFAOYSA-N 0 1 422.529 4.020 20 0 HIADMN COc1ccc(OCc2nc(CNC[C@@H]3Cc4ccccc4N(C)C3)cs2)cc1 ZINC000436376431 861718323 /nfs/dbraw/zinc/71/83/23/861718323.db2.gz BMTHKRICBQMAPY-KRWDZBQOSA-N 0 1 409.555 4.129 20 0 HIADMN O=C(NNC(=O)c1sccc1-c1ccccc1)c1ccc(Br)s1 ZINC000024306191 846811600 /nfs/dbraw/zinc/81/16/00/846811600.db2.gz ZAFMKUYQMAEHIN-UHFFFAOYSA-N 0 1 407.314 4.314 20 0 HIADMN COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000024400462 846821031 /nfs/dbraw/zinc/82/10/31/846821031.db2.gz UEMHFBBYCQQFJC-AWEZNQCLSA-N 0 1 420.918 4.444 20 0 HIADMN O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025038065 846910685 /nfs/dbraw/zinc/91/06/85/846910685.db2.gz OCLKRWCVZUKXFW-VWLOTQADSA-N 0 1 407.477 4.197 20 0 HIADMN COc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000025167240 846936128 /nfs/dbraw/zinc/93/61/28/846936128.db2.gz WNKIKSXFSZVAKT-UHFFFAOYSA-N 0 1 422.915 4.463 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O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000025862340 847048221 /nfs/dbraw/zinc/04/82/21/847048221.db2.gz LNXOJEUXBBPGSC-UHFFFAOYSA-N 0 1 410.320 4.075 20 0 HIADMN CN(CCCOc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000025903699 847054871 /nfs/dbraw/zinc/05/48/71/847054871.db2.gz HSEGTTJHJVTJKG-UHFFFAOYSA-N 0 1 414.303 4.380 20 0 HIADMN C[C@@H](CNC(=O)CCSc1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000025941847 847059600 /nfs/dbraw/zinc/05/96/00/847059600.db2.gz YXAPJSSLAIOYDC-INIZCTEOSA-N 0 1 411.596 4.342 20 0 HIADMN C[C@H](CNC(=O)CCSc1nc2ccccc2s1)N1CCc2ccccc2C1 ZINC000025941852 847060184 /nfs/dbraw/zinc/06/01/84/847060184.db2.gz YXAPJSSLAIOYDC-MRXNPFEDSA-N 0 1 411.596 4.342 20 0 HIADMN O=c1nc(CSc2nc(-c3ccccc3)n[nH]2)[nH]c2scc(-c3ccco3)c21 ZINC000026047289 847077063 /nfs/dbraw/zinc/07/70/63/847077063.db2.gz FQDLFWNJNVVSQI-UHFFFAOYSA-N 0 1 407.480 4.322 20 0 HIADMN CCOC(=O)CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000026130090 847092669 /nfs/dbraw/zinc/09/26/69/847092669.db2.gz LCYAWJGSCOZCGR-IBGZPJMESA-N 0 1 419.403 4.131 20 0 HIADMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 ZINC000026535588 847165161 /nfs/dbraw/zinc/16/51/61/847165161.db2.gz QBTUNUOCCISRNM-UHFFFAOYSA-N 0 1 422.915 4.359 20 0 HIADMN COCc1cccc(NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)c1 ZINC000026547133 847166716 /nfs/dbraw/zinc/16/67/16/847166716.db2.gz LQFGNDFQRQQWBL-UHFFFAOYSA-N 0 1 420.712 4.058 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000026567947 847171573 /nfs/dbraw/zinc/17/15/73/847171573.db2.gz DORIMDPUOXOOTG-UHFFFAOYSA-N 0 1 415.537 4.431 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)CN(CCc2ccccc2)Cc2ccccc2)cc1 ZINC000026648631 847181183 /nfs/dbraw/zinc/18/11/83/847181183.db2.gz LXRDJUQNWVKRBY-UHFFFAOYSA-N 0 1 401.510 4.328 20 0 HIADMN CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)C1 ZINC000027155206 847257223 /nfs/dbraw/zinc/25/72/23/847257223.db2.gz IDWGCBCWBFXBQT-QGZVFWFLSA-N 0 1 416.543 4.067 20 0 HIADMN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027236103 847270823 /nfs/dbraw/zinc/27/08/23/847270823.db2.gz GNXPOKUVHGTAHW-QGZVFWFLSA-N 0 1 410.514 4.046 20 0 HIADMN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC[C@H](c1ccco1)N1CCCC1 ZINC000027336097 847284429 /nfs/dbraw/zinc/28/44/29/847284429.db2.gz UKAQYBXGQDKCBM-GOSISDBHSA-N 0 1 415.440 4.099 20 0 HIADMN O=C(CCc1nc(-c2ccccc2)no1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027344644 847286198 /nfs/dbraw/zinc/28/61/98/847286198.db2.gz AJBPMKCCRHANNA-FQEVSTJZSA-N 0 1 424.932 4.276 20 0 HIADMN Cc1ccccc1CN1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000027388814 847293877 /nfs/dbraw/zinc/29/38/77/847293877.db2.gz IZTHCKQAHQQQME-UHFFFAOYSA-N 0 1 414.553 4.406 20 0 HIADMN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027417010 847299733 /nfs/dbraw/zinc/29/97/33/847299733.db2.gz ISBFRQHKDUCQBS-HXUWFJFHSA-N 0 1 407.558 4.163 20 0 HIADMN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027418165 847300880 /nfs/dbraw/zinc/30/08/80/847300880.db2.gz GFMIQPPSMSZGCO-OALUTQOASA-N 0 1 405.542 4.094 20 0 HIADMN C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc2ccccc2c1 ZINC000027571231 847322459 /nfs/dbraw/zinc/32/24/59/847322459.db2.gz JTMYLUAVCLGMHN-AUSIDOKSSA-N 0 1 415.537 4.368 20 0 HIADMN COc1cccc([C@@H](CNC(=O)CCc2ncc(-c3ccc(C)cc3)o2)N(C)C)c1 ZINC000027595598 847325917 /nfs/dbraw/zinc/32/59/17/847325917.db2.gz UGBBOGCDZMMTAQ-OAQYLSRUSA-N 0 1 407.514 4.010 20 0 HIADMN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000027594237 847326141 /nfs/dbraw/zinc/32/61/41/847326141.db2.gz DJMVAYAHZBPEGF-MRXNPFEDSA-N 0 1 415.490 4.074 20 0 HIADMN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1cc(Cl)cc(Cl)c1 ZINC000027597779 847326282 /nfs/dbraw/zinc/32/62/82/847326282.db2.gz KSGVBWMEEOWSQP-UHFFFAOYSA-N 0 1 409.298 4.457 20 0 HIADMN O=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000027626930 847329662 /nfs/dbraw/zinc/32/96/62/847329662.db2.gz ZRYKRAOTTFHCBF-UHFFFAOYSA-N 0 1 424.906 4.271 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)C3CC3)cc2)N2CCCCC2)cc1 ZINC000027667479 847334139 /nfs/dbraw/zinc/33/41/39/847334139.db2.gz ANIILNDEMFYEJG-QHCPKHFHSA-N 0 1 421.541 4.001 20 0 HIADMN Cc1nc(COc2cccc(C(=O)NC[C@H](c3cccs3)N(C)C)c2)cs1 ZINC000027678324 847337152 /nfs/dbraw/zinc/33/71/52/847337152.db2.gz DFVDRLUJDKCIAM-GOSISDBHSA-N 0 1 401.557 4.125 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000028339252 847409761 /nfs/dbraw/zinc/40/97/61/847409761.db2.gz KKVOPVOGSGNENA-KGLIPLIRSA-N 0 1 418.335 4.394 20 0 HIADMN COc1cccc(NC(=O)[C@H](NCCN2CCc3ccccc3C2)c2ccccc2)c1 ZINC000028340704 847409783 /nfs/dbraw/zinc/40/97/83/847409783.db2.gz KKEFUWZHYGKQTR-RUZDIDTESA-N 0 1 415.537 4.023 20 0 HIADMN CC[C@H](CNC(=O)N1CCC(C(=O)c2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000028392726 847414912 /nfs/dbraw/zinc/41/49/12/847414912.db2.gz YWFLLFKDBRHGQE-XMMPIXPASA-N 0 1 419.569 4.128 20 0 HIADMN COc1ccc(/C=C/C(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1OC ZINC000028669875 847443019 /nfs/dbraw/zinc/44/30/19/847443019.db2.gz IEGGZXJZAPFVJG-ACCUITESSA-N 0 1 416.521 4.215 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC2CCCCC2)c1 ZINC000028734509 847453473 /nfs/dbraw/zinc/45/34/73/847453473.db2.gz NEBWYVNITJUDJR-UHFFFAOYSA-N 0 1 416.543 4.115 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000028779589 847459316 /nfs/dbraw/zinc/45/93/16/847459316.db2.gz RJXXLDJOQBWDOM-ZDUSSCGKSA-N 0 1 401.536 4.005 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)Sc2n[nH]c(CCC3CCCC3)n2)c1 ZINC000028779589 847459320 /nfs/dbraw/zinc/45/93/20/847459320.db2.gz RJXXLDJOQBWDOM-ZDUSSCGKSA-N 0 1 401.536 4.005 20 0 HIADMN Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000028789600 847460223 /nfs/dbraw/zinc/46/02/23/847460223.db2.gz NEMJZMUTARQNDY-UHFFFAOYSA-N 0 1 417.469 4.145 20 0 HIADMN Cc1ccc(-n2ccn(CN3CCN(CCc4ccccc4)CC3)c2=S)cc1C ZINC000028812610 847465025 /nfs/dbraw/zinc/46/50/25/847465025.db2.gz QEHFEUPBJAGWGI-UHFFFAOYSA-N 0 1 406.599 4.443 20 0 HIADMN S=c1[nH]c(-c2ccc(Cl)cc2)nn1CN1CCN(CCc2ccccc2)CC1 ZINC000028812528 847465187 /nfs/dbraw/zinc/46/51/87/847465187.db2.gz IBDLARBZXMRMQG-UHFFFAOYSA-N 0 1 413.978 4.079 20 0 HIADMN Cc1ccc(-n2ncc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c2C(C)C)cc1 ZINC000028840493 847466964 /nfs/dbraw/zinc/46/69/64/847466964.db2.gz PVSIQKLGTVXPER-QFIPXVFZSA-N 0 1 408.521 4.476 20 0 HIADMN CCc1ccc2nc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)sc2c1 ZINC000028835194 847467222 /nfs/dbraw/zinc/46/72/22/847467222.db2.gz CFUCOPGZZKNJCL-UHFFFAOYSA-N 0 1 410.524 4.260 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1 ZINC000028855593 847469355 /nfs/dbraw/zinc/46/93/55/847469355.db2.gz ROBRUKCAVQIPCE-UHFFFAOYSA-N 0 1 403.467 4.346 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)n2)cc1 ZINC000028855557 847469513 /nfs/dbraw/zinc/46/95/13/847469513.db2.gz NUHYYQRDSAPBCZ-UHFFFAOYSA-N 0 1 403.490 4.481 20 0 HIADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000028899688 847475736 /nfs/dbraw/zinc/47/57/36/847475736.db2.gz LZGFUFUFKCGMJW-UHFFFAOYSA-N 0 1 401.308 4.389 20 0 HIADMN Cc1ccc(CN2CCCN(C(=O)c3ccc(N4CCCCCC4)nc3)CC2)cc1 ZINC000029101245 847506321 /nfs/dbraw/zinc/50/63/21/847506321.db2.gz WLCOIMUIKYLHKB-UHFFFAOYSA-N 0 1 406.574 4.119 20 0 HIADMN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000029114388 847508117 /nfs/dbraw/zinc/50/81/17/847508117.db2.gz QEBPLECSBXWTSW-UHFFFAOYSA-N 0 1 403.467 4.411 20 0 HIADMN Cc1ccsc1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029153345 847515610 /nfs/dbraw/zinc/51/56/10/847515610.db2.gz LAPHAQCKGPOOJJ-UHFFFAOYSA-N 0 1 411.493 4.017 20 0 HIADMN COc1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1Br ZINC000029161837 847516729 /nfs/dbraw/zinc/51/67/29/847516729.db2.gz LZQGDZIIZATWRS-UHFFFAOYSA-N 0 1 417.347 4.024 20 0 HIADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N(C)Cc2ccc(Br)cc2)c(C)c1 ZINC000029252882 847530668 /nfs/dbraw/zinc/53/06/68/847530668.db2.gz KXMWUWGQMZHEDN-HNNXBMFYSA-N 0 1 418.335 4.235 20 0 HIADMN CCN(Cc1cccc(C(N)=O)c1)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000029255985 847532009 /nfs/dbraw/zinc/53/20/09/847532009.db2.gz BTRKQOXVJGPZRU-UHFFFAOYSA-N 0 1 410.539 4.457 20 0 HIADMN O=C(NCC1(N2CCSCC2)CCCC1)c1ccccc1C(=O)c1cccs1 ZINC000029368700 847553189 /nfs/dbraw/zinc/55/31/89/847553189.db2.gz AEDKXKUGYGHBRF-UHFFFAOYSA-N 0 1 414.596 4.071 20 0 HIADMN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000029414055 847559733 /nfs/dbraw/zinc/55/97/33/847559733.db2.gz LTPJMYCKGUTTNA-CALCHBBNSA-N 0 1 402.498 4.447 20 0 HIADMN CCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C ZINC000029450592 847565772 /nfs/dbraw/zinc/56/57/72/847565772.db2.gz WIHHDSUPSWBJIC-INIZCTEOSA-N 0 1 404.532 4.065 20 0 HIADMN O=C(CCc1nc(-c2ccco2)no1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000029612519 847587582 /nfs/dbraw/zinc/58/75/82/847587582.db2.gz DZQVJOFJOKHKEF-QFIPXVFZSA-N 0 1 413.437 4.044 20 0 HIADMN COc1ccc(-c2nc(C)c(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)s2)cc1 ZINC000029837432 847629574 /nfs/dbraw/zinc/62/95/74/847629574.db2.gz OHGNHERUQJARDH-LJQANCHMSA-N 0 1 413.518 4.299 20 0 HIADMN CC(C)c1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c2cnn(C(C)C)c2n1 ZINC000029837277 847630085 /nfs/dbraw/zinc/63/00/85/847630085.db2.gz CZYZKRAVBAHXOA-OAQYLSRUSA-N 0 1 411.525 4.307 20 0 HIADMN CCN(CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)C1CC1 ZINC000029912334 847649585 /nfs/dbraw/zinc/64/95/85/847649585.db2.gz WULGWCDROLHYFY-UHFFFAOYSA-N 0 1 405.420 4.381 20 0 HIADMN CCC[C@H](C)N(C)CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000030270130 847695483 /nfs/dbraw/zinc/69/54/83/847695483.db2.gz ADRSNRBGAWUSHO-INIZCTEOSA-N 0 1 413.518 4.015 20 0 HIADMN O=S(=O)(Nc1ccc(F)cc1Br)c1cc(C(F)(F)F)ccc1O ZINC000436476990 861819149 /nfs/dbraw/zinc/81/91/49/861819149.db2.gz KUYDSKRCMWLDFP-UHFFFAOYSA-N 0 1 414.174 4.113 20 0 HIADMN Cc1csc(Oc2ccc(NS(=O)(=O)c3cnc4onc(C)c4c3)cc2F)n1 ZINC000436479570 861819312 /nfs/dbraw/zinc/81/93/12/861819312.db2.gz UUUVFNQZULJGPO-UHFFFAOYSA-N 0 1 420.447 4.028 20 0 HIADMN O=C(Cc1csc(-c2ccccc2Cl)n1)NCCN1CCc2ccccc2C1 ZINC000030318329 847702085 /nfs/dbraw/zinc/70/20/85/847702085.db2.gz OBUZGBGEIZZNAR-UHFFFAOYSA-N 0 1 411.958 4.181 20 0 HIADMN O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1 ZINC000030318347 847702209 /nfs/dbraw/zinc/70/22/09/847702209.db2.gz ZPDQGQHLGZCIDF-UHFFFAOYSA-N 0 1 414.509 4.119 20 0 HIADMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1Br ZINC000030509874 847724714 /nfs/dbraw/zinc/72/47/14/847724714.db2.gz HPTUHQRQZZNQEA-ZIAGYGMSSA-N 0 1 420.351 4.202 20 0 HIADMN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H](c3cccs3)N(C)C)c12 ZINC000030511865 847726211 /nfs/dbraw/zinc/72/62/11/847726211.db2.gz BELSAFSSGGUOKQ-IBGZPJMESA-N 0 1 419.554 4.038 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2coc(Br)c2)N2CCCCC2)cc1 ZINC000030547371 847733919 /nfs/dbraw/zinc/73/39/19/847733919.db2.gz JRALBRWIRALADI-QGZVFWFLSA-N 0 1 407.308 4.008 20 0 HIADMN COc1ccc(CN[C@H](C)c2cccc(NC(C)=O)c2)cc1OCc1cccnc1 ZINC000030630184 847747432 /nfs/dbraw/zinc/74/74/32/847747432.db2.gz BIRKLCYUADHHDI-QGZVFWFLSA-N 0 1 405.498 4.478 20 0 HIADMN Cc1nn(Cc2ccccc2Cl)c(C)c1CNCc1ccc(-n2ccnc2)nc1 ZINC000030655332 847753490 /nfs/dbraw/zinc/75/34/90/847753490.db2.gz SUFWBZOTXLFDIU-UHFFFAOYSA-N 0 1 406.921 4.072 20 0 HIADMN CC(C)(C)c1ccc(CNCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000030659783 847754557 /nfs/dbraw/zinc/75/45/57/847754557.db2.gz LDSBKMUULJYMKT-UHFFFAOYSA-N 0 1 400.588 4.449 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc(C)cc1OC ZINC000436500854 861826645 /nfs/dbraw/zinc/82/66/45/861826645.db2.gz ARVAMFXRQMKGPZ-LJQANCHMSA-N 0 1 422.529 4.248 20 0 HIADMN O=C(NCCc1ccc(C(F)(F)F)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000030985767 847804731 /nfs/dbraw/zinc/80/47/31/847804731.db2.gz XHWRXESEZCNUIN-GOSISDBHSA-N 0 1 409.452 4.367 20 0 HIADMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)N(Cc1ccco1)Cc1ccccc1 ZINC000436520289 861832747 /nfs/dbraw/zinc/83/27/47/861832747.db2.gz DWGMQYZVHNNWKJ-UHFFFAOYSA-N 0 1 420.494 4.091 20 0 HIADMN 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CCOc1cccc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)oc21 ZINC000216278995 853848679 /nfs/dbraw/zinc/84/86/79/853848679.db2.gz PKLIOAZOYNXROB-HUUCEWRRSA-N 0 1 410.470 4.281 20 0 HIADMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2ccccc2C)cc1Br ZINC000218887109 853865016 /nfs/dbraw/zinc/86/50/16/853865016.db2.gz PYZZYORZMFLWNR-CVEARBPZSA-N 0 1 419.363 4.464 20 0 HIADMN COc1c(Br)cc(Br)cc1CNC[C@H](O)c1ccsc1 ZINC000219098674 853867105 /nfs/dbraw/zinc/86/71/05/853867105.db2.gz JASVDGPYLJQIAC-ZDUSSCGKSA-N 0 1 421.154 4.105 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(OC(F)F)cc1 ZINC000219657530 853870966 /nfs/dbraw/zinc/87/09/66/853870966.db2.gz KTGUIJZXGIJPIX-KGLIPLIRSA-N 0 1 406.429 4.127 20 0 HIADMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2Br)c1 ZINC000220348009 853875181 /nfs/dbraw/zinc/87/51/81/853875181.db2.gz NHMZLKQULBCLLN-QWHCGFSZSA-N 0 1 404.308 4.085 20 0 HIADMN CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000227384847 853886020 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CCOc1cccc(CN[C@H](C)c2cc3c(cc2Br)OCCO3)c1O ZINC000236930529 853938989 /nfs/dbraw/zinc/93/89/89/853938989.db2.gz ZTIUYFXGBBOTOY-GFCCVEGCSA-N 0 1 408.292 4.175 20 0 HIADMN CC[C@H](NCc1ccc(OCC(=O)N2CCCC2)c(OC)c1)c1ccc(F)cc1F ZINC000236959819 853943487 /nfs/dbraw/zinc/94/34/87/853943487.db2.gz LXNWIBAWLRYKCZ-FQEVSTJZSA-N 0 1 418.484 4.216 20 0 HIADMN CCNC(=O)c1cccc(CNCc2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 ZINC000236984424 853947093 /nfs/dbraw/zinc/94/70/93/853947093.db2.gz PPJZGEKWKMUMFX-UHFFFAOYSA-N 0 1 422.500 4.453 20 0 HIADMN CCNC(=O)c1cccc(CNCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 ZINC000236983961 853947656 /nfs/dbraw/zinc/94/76/56/853947656.db2.gz YDOGRFDFKDXZGA-UHFFFAOYSA-N 0 1 410.949 4.241 20 0 HIADMN CCS(=O)(=O)CCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000236998061 853949009 /nfs/dbraw/zinc/94/90/09/853949009.db2.gz WIPNILJRKBXIJZ-UHFFFAOYSA-N 0 1 402.343 4.097 20 0 HIADMN CCS(=O)(=O)C[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000237007863 853950510 /nfs/dbraw/zinc/95/05/10/853950510.db2.gz RVRPWKYNUONTHO-QGZVFWFLSA-N 0 1 423.538 4.198 20 0 HIADMN CCOc1cc(CNCC(=O)N2CCCc3ccccc32)ccc1OCC(F)(F)F ZINC000237082839 853962062 /nfs/dbraw/zinc/96/20/62/853962062.db2.gz OTQWMCFGAGCSSW-UHFFFAOYSA-N 0 1 422.447 4.095 20 0 HIADMN COc1cc(CNCc2cc(Br)c(OC)c(OC)c2)ccc1SC ZINC000237106512 853965199 /nfs/dbraw/zinc/96/51/99/853965199.db2.gz OJNWUJMLNMVFOG-UHFFFAOYSA-N 0 1 412.349 4.487 20 0 HIADMN COc1ccc(Br)cc1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000237136194 853970832 /nfs/dbraw/zinc/97/08/32/853970832.db2.gz GYWVWYWDUQWCHC-UHFFFAOYSA-N 0 1 401.098 4.216 20 0 HIADMN CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000237178313 853976287 /nfs/dbraw/zinc/97/62/87/853976287.db2.gz NLHUFVUPNNTKTA-UHFFFAOYSA-N 0 1 415.877 4.469 20 0 HIADMN COCCOc1cccc(CNCc2cc(Br)ccc2OC(F)F)c1 ZINC000237191096 853978872 /nfs/dbraw/zinc/97/88/72/853978872.db2.gz NEESBXWNGFKYAE-UHFFFAOYSA-N 0 1 416.262 4.366 20 0 HIADMN COCCC[N@@H+]1Cc2cccc(NC(=O)[C@](C)(CC(=O)[O-])C3CCCCC3)c2C1 ZINC000237210478 853983346 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O=C(c1cccc(Cl)c1)N1CCCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000302995829 854715059 /nfs/dbraw/zinc/71/50/59/854715059.db2.gz KBOCQESICIWTRG-UHFFFAOYSA-N 0 1 424.932 4.171 20 0 HIADMN CCn1cc(CC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c2ccccc21 ZINC000303026374 854729085 /nfs/dbraw/zinc/72/90/85/854729085.db2.gz MYIPUHGMZMOIRZ-PMACEKPBSA-N 0 1 419.569 4.129 20 0 HIADMN CCN(CC)[C@H](CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)c1ccccc1Cl ZINC000303029979 854731211 /nfs/dbraw/zinc/73/12/11/854731211.db2.gz NVGQMUJDWSBECI-WOJBJXKFSA-N 0 1 422.013 4.266 20 0 HIADMN CN1CCN(Cc2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000303031828 854732435 /nfs/dbraw/zinc/73/24/35/854732435.db2.gz UHQBOKIPUGRGTM-RTWAWAEBSA-N 0 1 417.475 4.195 20 0 HIADMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000437328972 862598981 /nfs/dbraw/zinc/59/89/81/862598981.db2.gz ODTFPXHBQMULCO-UHFFFAOYSA-N 0 1 401.875 4.097 20 0 HIADMN Cc1cccc(N2CCN(CCCNC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)CC2)c1 ZINC000303061537 854744734 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CCCC(=O)Nc1cccc(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)c1C ZINC000409814572 855667974 /nfs/dbraw/zinc/66/79/74/855667974.db2.gz GMKIFFFRFMCVRB-OAQYLSRUSA-N 0 1 412.534 4.167 20 0 HIADMN CC(C)CN1Cc2cccc(NC(=O)C3(c4cncc(Br)c4)CC3)c2C1 ZINC000409840966 855681925 /nfs/dbraw/zinc/68/19/25/855681925.db2.gz VFKZLAZIOMDTRX-UHFFFAOYSA-N 0 1 414.347 4.486 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409990359 855765641 /nfs/dbraw/zinc/76/56/41/855765641.db2.gz DALCTIAECWEURP-UWJYYQICSA-N 0 1 416.363 4.332 20 0 HIADMN COc1cc(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc(C)n1 ZINC000410013590 855779162 /nfs/dbraw/zinc/77/91/62/855779162.db2.gz SYOGXRLRSBLHRN-UHFFFAOYSA-N 0 1 400.307 4.181 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1cccs1 ZINC000410032575 855788339 /nfs/dbraw/zinc/78/83/39/855788339.db2.gz DDCMXLHQSMWIFS-GOSISDBHSA-N 0 1 414.506 4.177 20 0 HIADMN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000410033081 855788702 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Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C[NH+](C)C)ccc3C)c2)n1 ZINC000410333120 855934635 /nfs/dbraw/zinc/93/46/35/855934635.db2.gz PACRVEUROBVHHS-UHFFFAOYSA-N 0 1 401.557 4.289 20 0 HIADMN C[C@H](CCc1ccccc1)NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410348776 855942936 /nfs/dbraw/zinc/94/29/36/855942936.db2.gz ASXWZUCWTNAZQI-HKBOAZHASA-N 0 1 409.574 4.116 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCC(C)(C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000410354438 855945934 /nfs/dbraw/zinc/94/59/34/855945934.db2.gz QBDCIAXLNCKEMX-BGYRXZFFSA-N 0 1 409.574 4.073 20 0 HIADMN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1cc(C(F)(F)F)ccc1Br ZINC000410356718 855947993 /nfs/dbraw/zinc/94/79/93/855947993.db2.gz WYRUFQRKLXRGSM-UHFFFAOYSA-N 0 1 420.210 4.145 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@@H](c3cccs3)C3CC3)cc2)C[C@@H](C)O1 ZINC000410360176 855949644 /nfs/dbraw/zinc/94/96/44/855949644.db2.gz QDXYVDBSUUNWHF-DRSNIGMVSA-N 0 1 413.587 4.308 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC[C@@H]3c3ccccc3)cc2)C[C@H](C)O1 ZINC000410361134 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ISBXDGIKKCUEFG-AWEZNQCLSA-N 0 1 411.237 4.040 20 0 HIADMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000425964459 856020852 /nfs/dbraw/zinc/02/08/52/856020852.db2.gz GKMMOYINPFOWRL-UHFFFAOYSA-N 0 1 418.515 4.023 20 0 HIADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000426000116 856038835 /nfs/dbraw/zinc/03/88/35/856038835.db2.gz BBIDEOTYABBMKZ-UHFFFAOYSA-N 0 1 416.543 4.246 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H]2c3cc(Br)ccc3CC2(C)C)n[nH]1 ZINC000426002485 856040524 /nfs/dbraw/zinc/04/05/24/856040524.db2.gz FZJBYPFTJDWTRR-ABAIWWIYSA-N 0 1 420.355 4.374 20 0 HIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000426024745 856054260 /nfs/dbraw/zinc/05/42/60/856054260.db2.gz XQQDPYWMJVVRFP-OAQYLSRUSA-N 0 1 419.997 4.486 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)n[nH]1 ZINC000426041612 856067336 /nfs/dbraw/zinc/06/73/36/856067336.db2.gz GMBQJLDKPUMNOR-NHYWBVRUSA-N 0 1 420.355 4.374 20 0 HIADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc[nH]c3C)ccc2Cl)cc1 ZINC000426078234 856091633 /nfs/dbraw/zinc/09/16/33/856091633.db2.gz IFHNWICSRLQYIQ-UHFFFAOYSA-N 0 1 419.890 4.038 20 0 HIADMN Cc1nc2c(s1)CCC[C@@H]2C(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000426085379 856096950 /nfs/dbraw/zinc/09/69/50/856096950.db2.gz NAZQBYMFXPZYOS-KRWDZBQOSA-N 0 1 401.601 4.367 20 0 HIADMN Cc1cccc2nc(CCC(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)[nH]c21 ZINC000426095545 856104230 /nfs/dbraw/zinc/10/42/30/856104230.db2.gz FNJWECUOMDFASG-XMMPIXPASA-N 0 1 412.493 4.300 20 0 HIADMN C[C@H](CCCC(F)(F)F)NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000426101989 856108058 /nfs/dbraw/zinc/10/80/58/856108058.db2.gz QGUQDWSTGQQPKJ-GDBMZVCRSA-N 0 1 409.456 4.482 20 0 HIADMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc(OCc3ccccn3)cc2)n[nH]1 ZINC000426109700 856113306 /nfs/dbraw/zinc/11/33/06/856113306.db2.gz CWLMOUDCCAPKER-HXUWFJFHSA-N 0 1 405.502 4.270 20 0 HIADMN Cc1c(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cccc1C(F)(F)F ZINC000426142975 856136971 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COCCN(Cc1ccc(Br)s1)Cc1cn(-c2ccncc2)nc1C ZINC000426375691 856264330 /nfs/dbraw/zinc/26/43/30/856264330.db2.gz GLMZTOWSXCFOBF-UHFFFAOYSA-N 0 1 421.364 4.048 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n[nH]1 ZINC000426496309 856320782 /nfs/dbraw/zinc/32/07/82/856320782.db2.gz BBRNCIWAYVQJOQ-GFCCVEGCSA-N 0 1 401.898 4.033 20 0 HIADMN COc1ccc(-c2cc(-c3nc(-c4ccc(OC(C)(C)C)cn4)no3)[nH]n2)cc1OC ZINC000426608431 856371845 /nfs/dbraw/zinc/37/18/45/856371845.db2.gz AIPUTUAATHCEMM-UHFFFAOYSA-N 0 1 421.457 4.383 20 0 HIADMN CCc1nc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)ccc1C(=O)[O-] ZINC000426638783 856388239 /nfs/dbraw/zinc/38/82/39/856388239.db2.gz SIULCZQPUPEPLU-UHFFFAOYSA-N 0 1 404.514 4.171 20 0 HIADMN Cc1nc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)ccc1C(=O)[O-] ZINC000426665764 856402107 /nfs/dbraw/zinc/40/21/07/856402107.db2.gz YHUYYEGSYJIWBQ-UHFFFAOYSA-N 0 1 409.873 4.284 20 0 HIADMN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)CCc1nc3cccc(C)c3[nH]1)O[C@@H](C)C2 ZINC000426704710 856422579 /nfs/dbraw/zinc/42/25/79/856422579.db2.gz SOECLFNCEDMLAH-RIFZZMRRSA-N 0 1 419.525 4.198 20 0 HIADMN O=C(NC(Cc1ccccc1F)Cc1ccccc1F)N[C@H]1CCCc2cn[nH]c21 ZINC000437421622 862795828 /nfs/dbraw/zinc/79/58/28/862795828.db2.gz OKKWKRIDYXWPAH-NRFANRHFSA-N 0 1 410.468 4.219 20 0 HIADMN Cc1nc(CCCC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cs1 ZINC000426711860 856428575 /nfs/dbraw/zinc/42/85/75/856428575.db2.gz SHOCCHZPBVRAAU-UHFFFAOYSA-N 0 1 405.995 4.456 20 0 HIADMN COc1ccc(OCc2nc(C[NH2+][C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000426723692 856435467 /nfs/dbraw/zinc/43/54/67/856435467.db2.gz ZWCWWNSXFBSUFW-VFNWGFHPSA-N 0 1 412.511 4.282 20 0 HIADMN CC(C)(C)c1ncc(C[NH2+][C@H](CSCc2cccc3cccnc32)C(=O)[O-])s1 ZINC000426724924 856436922 /nfs/dbraw/zinc/43/69/22/856436922.db2.gz XCIJOGBQAGRQSM-QGZVFWFLSA-N 0 1 415.584 4.465 20 0 HIADMN COc1ccc2oc(C[NH2+][C@H](CSCc3cccc4cccnc43)C(=O)[O-])cc2c1 ZINC000426735810 856442921 /nfs/dbraw/zinc/44/29/21/856442921.db2.gz GTGKUDUSISWGSE-HXUWFJFHSA-N 0 1 422.506 4.466 20 0 HIADMN Cc1nc([C@H]2CCCN2CC2(CN3CCC[C@@H]3c3csc(C)n3)COC2)cs1 ZINC000426742605 856446914 /nfs/dbraw/zinc/44/69/14/856446914.db2.gz KJAOWDJJYBDXJU-WOJBJXKFSA-N 0 1 418.632 4.207 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1cnn(-c2ccccc2)c1 ZINC000426757418 856460038 /nfs/dbraw/zinc/46/00/38/856460038.db2.gz CXTYCLKGYRMSIU-GOSISDBHSA-N 0 1 418.266 4.080 20 0 HIADMN C[C@@](NCCOc1cccc2ccccc21)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426809068 856490378 /nfs/dbraw/zinc/49/03/78/856490378.db2.gz PATXEOWLOFMNPE-NRFANRHFSA-N 0 1 402.416 4.228 20 0 HIADMN COc1cc(Cl)c(C[NH2+][C@@H](CC(=O)[O-])c2cccc(OC)c2OC)cc1Cl ZINC000426816381 856494179 /nfs/dbraw/zinc/49/41/79/856494179.db2.gz KIZIPZWCPCHJIU-HNNXBMFYSA-N 0 1 414.285 4.325 20 0 HIADMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426825094 856499519 /nfs/dbraw/zinc/49/95/19/856499519.db2.gz KWWSSWRFIXAKTR-WZOHSFFVSA-N 0 1 424.585 4.456 20 0 HIADMN C[C@@H](NC(=O)CN1CCC(OC[C@@H]2CCCCO2)CC1)c1cccc2ccccc21 ZINC000426835435 856506305 /nfs/dbraw/zinc/50/63/05/856506305.db2.gz REAWYTOSBJMWCU-KNQAVFIVSA-N 0 1 410.558 4.067 20 0 HIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCc2nc(-c3ccccc3F)cs2)n[nH]1 ZINC000426901305 856533593 /nfs/dbraw/zinc/53/35/93/856533593.db2.gz QUJORMRNNPDSKM-NEPJUHHUSA-N 0 1 402.499 4.141 20 0 HIADMN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)[C@H]1CCCCN1Cc1ccccc1 ZINC000437450980 862816141 /nfs/dbraw/zinc/81/61/41/862816141.db2.gz SLBODINAFOLIFV-HSALFYBXSA-N 0 1 400.469 4.315 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000426992706 856583922 /nfs/dbraw/zinc/58/39/22/856583922.db2.gz VVKSWSIWEIBGPB-GFCCVEGCSA-N 0 1 403.939 4.049 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N(C)C3CCN(C(=O)c4ccccc4)CC3)n[nH]2)c(C)c1 ZINC000427113539 856646169 /nfs/dbraw/zinc/64/61/69/856646169.db2.gz HYRNKJUBKVPXCX-UHFFFAOYSA-N 0 1 416.525 4.070 20 0 HIADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000427128480 856656304 /nfs/dbraw/zinc/65/63/04/856656304.db2.gz MLICTDOOTJCBTP-CQSZACIVSA-N 0 1 409.845 4.284 20 0 HIADMN Cc1nc(C)n(Cc2cccc(NC(=O)c3cn[nH]c3-c3ccc(Cl)cc3)c2)n1 ZINC000427140753 856664790 /nfs/dbraw/zinc/66/47/90/856664790.db2.gz UUQKUEGGOCKGQK-UHFFFAOYSA-N 0 1 406.877 4.239 20 0 HIADMN COc1cc(NC(=O)CCN2CC(C)(C)[C@H]2c2cccnc2)c(OC)cc1Cl ZINC000427155941 856675929 /nfs/dbraw/zinc/67/59/29/856675929.db2.gz UFNHGLVONJJOOC-HXUWFJFHSA-N 0 1 403.910 4.164 20 0 HIADMN C[C@@H]1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CCN1Cc1ccccc1 ZINC000437461983 862825749 /nfs/dbraw/zinc/82/57/49/862825749.db2.gz MJVNIIIWROCCIH-GOSISDBHSA-N 0 1 424.570 4.042 20 0 HIADMN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2n[nH]c(COc3ccccc3)n2)c2ccccc21 ZINC000427203019 856710466 /nfs/dbraw/zinc/71/04/66/856710466.db2.gz HTXYBJIQWZWBGE-UWJYYQICSA-N 0 1 404.514 4.317 20 0 HIADMN CCN(CCNC(=O)CCc1ccc(Br)c(C)c1)CCC(F)(F)F ZINC000427206440 856712613 /nfs/dbraw/zinc/71/26/13/856712613.db2.gz RPYCQRIJXNXYQL-UHFFFAOYSA-N 0 1 409.290 4.081 20 0 HIADMN CCN(CCNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C)CCC(F)(F)F ZINC000427206548 856713132 /nfs/dbraw/zinc/71/31/32/856713132.db2.gz SHBBWFVJTRRJES-UHFFFAOYSA-N 0 1 410.484 4.174 20 0 HIADMN CCN(CCNC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)CCC(F)(F)F ZINC000427220494 856720470 /nfs/dbraw/zinc/72/04/70/856720470.db2.gz UMPVKQJCVFXYOJ-UHFFFAOYSA-N 0 1 400.485 4.206 20 0 HIADMN CCN(CCNC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)CCC(F)(F)F ZINC000427246852 856734304 /nfs/dbraw/zinc/73/43/04/856734304.db2.gz URXZEOYXXBUKSR-UHFFFAOYSA-N 0 1 423.266 4.183 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)n[nH]1 ZINC000427267223 856744093 /nfs/dbraw/zinc/74/40/93/856744093.db2.gz XNHUUPCQEFZVQN-CQSZACIVSA-N 0 1 418.497 4.416 20 0 HIADMN Cc1c(NS(=O)(=O)c2cc(F)ccc2Br)cccc1-c1ncco1 ZINC000427332427 856776466 /nfs/dbraw/zinc/77/64/66/856776466.db2.gz UXTMJKBBOMPXKJ-UHFFFAOYSA-N 0 1 411.252 4.352 20 0 HIADMN CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000427356130 856790432 /nfs/dbraw/zinc/79/04/32/856790432.db2.gz BIOBEZOJVAKSIP-QGZVFWFLSA-N 0 1 421.463 4.234 20 0 HIADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000437478872 862838456 /nfs/dbraw/zinc/83/84/56/862838456.db2.gz ZMBWSZIDMZWDJU-DGGJZMOXSA-N 0 1 411.521 4.043 20 0 HIADMN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)o1 ZINC000427460861 856831081 /nfs/dbraw/zinc/83/10/81/856831081.db2.gz VXNGVJRUDSGVJA-QFIPXVFZSA-N 0 1 413.481 4.325 20 0 HIADMN CO[C@H](C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1ccc(O)cc1 ZINC000427471213 856835078 /nfs/dbraw/zinc/83/50/78/856835078.db2.gz LIIAFJHOPNQJAB-LEWJYISDSA-N 0 1 418.484 4.090 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000427553397 856862681 /nfs/dbraw/zinc/86/26/81/856862681.db2.gz BMYLBKGSVRRSFN-OLZOCXBDSA-N 0 1 405.424 4.234 20 0 HIADMN CCc1c(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cnn1CCC(C)C ZINC000427702899 856915274 /nfs/dbraw/zinc/91/52/74/856915274.db2.gz CJTZRJPLZXICFH-LJQANCHMSA-N 0 1 420.561 4.297 20 0 HIADMN COc1cccc(N2CCC[C@H](N[C@@H](C)c3ncc(Br)cc3F)C2)c1 ZINC000427705105 856916137 /nfs/dbraw/zinc/91/61/37/856916137.db2.gz HGDAJCSVHCBWDS-ZFWWWQNUSA-N 0 1 408.315 4.311 20 0 HIADMN COc1cccc(N2CCC[C@@H](N[C@@H](C)c3ncc(Br)cc3F)C2)c1 ZINC000427705102 856916175 /nfs/dbraw/zinc/91/61/75/856916175.db2.gz HGDAJCSVHCBWDS-DZGCQCFKSA-N 0 1 408.315 4.311 20 0 HIADMN C[C@@H](N[C@H]1CCN(c2c(F)cccc2F)C1)c1ncc(Br)cc1F ZINC000427721098 856922302 /nfs/dbraw/zinc/92/23/02/856922302.db2.gz PGKNBAJOBANYGT-PWSUYJOCSA-N 0 1 400.242 4.191 20 0 HIADMN C[C@H](NCCc1nc(-c2ccccn2)cs1)c1ncc(Br)cc1F ZINC000427721365 856922361 /nfs/dbraw/zinc/92/23/61/856922361.db2.gz XTJRHIQJQJPQQO-NSHDSACASA-N 0 1 407.312 4.395 20 0 HIADMN COc1cccc([C@H]2CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CCO2)c1 ZINC000427749796 856937125 /nfs/dbraw/zinc/93/71/25/856937125.db2.gz VOLLTAVJFIGRTB-OAHLLOKOSA-N 0 1 403.891 4.014 20 0 HIADMN CC(C)C(=O)Nc1nc(CC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cs1 ZINC000427792549 856956677 /nfs/dbraw/zinc/95/66/77/856956677.db2.gz JWLPLFYTGWQOSN-UHFFFAOYSA-N 0 1 419.510 4.462 20 0 HIADMN Cc1cccc([C@H](CC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)NC(N)=O)c1 ZINC000427793496 856958224 /nfs/dbraw/zinc/95/82/24/856958224.db2.gz OKISNMNGFFVICC-FQEVSTJZSA-N 0 1 413.481 4.277 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000427793671 856958247 /nfs/dbraw/zinc/95/82/47/856958247.db2.gz PAXHJECLORDYJY-UHFFFAOYSA-N 0 1 417.513 4.096 20 0 HIADMN COc1cc(CC(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc(OC)c1OC ZINC000427801940 856961150 /nfs/dbraw/zinc/96/11/50/856961150.db2.gz JRKZMYLLLKSMLU-UHFFFAOYSA-N 0 1 417.465 4.437 20 0 HIADMN O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427803655 856962287 /nfs/dbraw/zinc/96/22/87/856962287.db2.gz YRDYNXLHWCDXJG-UHFFFAOYSA-N 0 1 410.437 4.246 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000427808132 856964026 /nfs/dbraw/zinc/96/40/26/856964026.db2.gz XBEAIAWAKZMBTM-KRWDZBQOSA-N 0 1 400.413 4.434 20 0 HIADMN C[C@H](c1ccsc1)N1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000427809653 856965188 /nfs/dbraw/zinc/96/51/88/856965188.db2.gz ATUQJJWOTJHZTG-GFCCVEGCSA-N 0 1 406.964 4.372 20 0 HIADMN CCn1ncc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1-c1ccccc1 ZINC000427813468 856965827 /nfs/dbraw/zinc/96/58/27/856965827.db2.gz ADNKAYGQBUBKJN-UHFFFAOYSA-N 0 1 406.505 4.104 20 0 HIADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000437515940 862862091 /nfs/dbraw/zinc/86/20/91/862862091.db2.gz GPMVEOODLDCKCJ-UHFFFAOYSA-N 0 1 409.449 4.276 20 0 HIADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000437515940 862862097 /nfs/dbraw/zinc/86/20/97/862862097.db2.gz GPMVEOODLDCKCJ-UHFFFAOYSA-N 0 1 409.449 4.276 20 0 HIADMN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2OCCc3sccc32)c(Br)c1 ZINC000427824585 856971178 /nfs/dbraw/zinc/97/11/78/856971178.db2.gz HZQYAMFGNXVXNS-VBHSOAQHSA-N 0 1 423.376 4.438 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000427883552 856992390 /nfs/dbraw/zinc/99/23/90/856992390.db2.gz FFIDOMQLMFQLMK-KUHUBIRLSA-N 0 1 412.477 4.238 20 0 HIADMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(CCCn2ccnc2)CC1 ZINC000427911841 857003012 /nfs/dbraw/zinc/00/30/12/857003012.db2.gz ADUNFDHNAFLNDU-UHFFFAOYSA-N 0 1 403.939 4.321 20 0 HIADMN COc1cc(OC)c(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1Br ZINC000427941003 857016235 /nfs/dbraw/zinc/01/62/35/857016235.db2.gz DYTMLCYNERUOOU-UHFFFAOYSA-N 0 1 406.236 4.010 20 0 HIADMN CC1(C)CC[C@@H](CN[C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)O1 ZINC000427972001 857028121 /nfs/dbraw/zinc/02/81/21/857028121.db2.gz ABWZSOJOCAWOAZ-AZUAARDMSA-N 0 1 407.963 4.380 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000437519145 862863515 /nfs/dbraw/zinc/86/35/15/862863515.db2.gz NWYGEAJOIXGLJQ-RBBKRZOGSA-N 0 1 406.574 4.486 20 0 HIADMN CCOC(=O)CC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000428266230 857134193 /nfs/dbraw/zinc/13/41/93/857134193.db2.gz REAUIONLNDMTPB-UHFFFAOYSA-N 0 1 409.452 4.115 20 0 HIADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000437541409 862875253 /nfs/dbraw/zinc/87/52/53/862875253.db2.gz CKWODYYWZMWPNX-IBGZPJMESA-N 0 1 409.449 4.203 20 0 HIADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000437541409 862875257 /nfs/dbraw/zinc/87/52/57/862875257.db2.gz CKWODYYWZMWPNX-IBGZPJMESA-N 0 1 409.449 4.203 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000437550131 862880441 /nfs/dbraw/zinc/88/04/41/862880441.db2.gz XMXJGHZGZWOAHK-HXUWFJFHSA-N 0 1 424.614 4.475 20 0 HIADMN COc1ccc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1OCC(C)C ZINC000428550814 857259969 /nfs/dbraw/zinc/25/99/69/857259969.db2.gz SEOPWDACUCGGSO-UHFFFAOYSA-N 0 1 411.951 4.077 20 0 HIADMN COc1cc(Br)ccc1CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000428639951 857285373 /nfs/dbraw/zinc/28/53/73/857285373.db2.gz IUHGLYCSKLRKFX-QGZVFWFLSA-N 0 1 402.292 4.223 20 0 HIADMN COc1nc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ncc1Br ZINC000428714321 857307256 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CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000431201723 858500854 /nfs/dbraw/zinc/50/08/54/858500854.db2.gz FCAOAAVMAIAAHZ-PNLZDCPESA-N 0 1 406.530 4.080 20 0 HIADMN Cc1noc(C[C@H](N[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2)n1 ZINC000431203189 858501642 /nfs/dbraw/zinc/50/16/42/858501642.db2.gz NXWDNCIVGKKFIW-UGSOOPFHSA-N 0 1 418.419 4.297 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n[nH]1 ZINC000431212562 858506812 /nfs/dbraw/zinc/50/68/12/858506812.db2.gz LUGNFAYUTSDGRE-RAIGVLPGSA-N 0 1 424.318 4.136 20 0 HIADMN Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000431323562 858565106 /nfs/dbraw/zinc/56/51/06/858565106.db2.gz NWZXTJMMSFPLCS-OAQYLSRUSA-N 0 1 424.932 4.487 20 0 HIADMN CC[C@H](CNC(=O)c1c[nH]c2ccccc2c1=O)Oc1cccc(C(F)(F)F)c1 ZINC000431437695 858615005 /nfs/dbraw/zinc/61/50/05/858615005.db2.gz BVXOFKKTCWXDIT-CQSZACIVSA-N 0 1 404.388 4.134 20 0 HIADMN CN1CCC[C@@H](CNC(=O)C2C[C@H]3CC[C@@H](C2)C3=O)[C@@H]1c1ccc(C(F)(F)F)cc1 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Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CCC(c4cnc[nH]4)CC3)c2)cc1 ZINC000435610872 860915440 /nfs/dbraw/zinc/91/54/40/860915440.db2.gz NLFDGQJFCKEZIS-UHFFFAOYSA-N 0 1 417.513 4.060 20 0 HIADMN C[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000435612663 860916672 /nfs/dbraw/zinc/91/66/72/860916672.db2.gz YKFNDFIHTLXZEV-KRWDZBQOSA-N 0 1 405.502 4.034 20 0 HIADMN CCCCOc1ccc([C@H](C)NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1OC ZINC000435624951 860925516 /nfs/dbraw/zinc/92/55/16/860925516.db2.gz YWMGAIBZIYOQCO-INIZCTEOSA-N 0 1 400.523 4.247 20 0 HIADMN O=C(NC1CC1)[C@H](N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000435661997 860940563 /nfs/dbraw/zinc/94/05/63/860940563.db2.gz HHPLBXSVIPWVFE-IPMKNSEASA-N 0 1 403.295 4.054 20 0 HIADMN CSc1c(F)cccc1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000435687909 860969219 /nfs/dbraw/zinc/96/92/19/860969219.db2.gz JXOPORPNACSNNW-UHFFFAOYSA-N 0 1 421.295 4.025 20 0 HIADMN CSc1c(F)cccc1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000435687909 860969231 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1 404.499 4.375 20 0 HIADMN O=S(=O)(c1c(Cl)cc(F)cc1Cl)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000435903977 861160673 /nfs/dbraw/zinc/16/06/73/861160673.db2.gz XGYOBIINUACUOL-CQSZACIVSA-N 0 1 415.317 4.306 20 0 HIADMN Cc1c(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cnn1-c1cc(C)ccc1C ZINC000437785724 863102268 /nfs/dbraw/zinc/10/22/68/863102268.db2.gz NCMWYPFAFGAZQS-NRFANRHFSA-N 0 1 407.518 4.349 20 0 HIADMN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1)C1CCCC1 ZINC000437804303 863124835 /nfs/dbraw/zinc/12/48/35/863124835.db2.gz VKWMYKZDNXCWRQ-MRXNPFEDSA-N 0 1 424.574 4.370 20 0 HIADMN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)CN(C)c2ncnc3[nH]cnc32)cc1 ZINC000437955938 863327747 /nfs/dbraw/zinc/32/77/47/863327747.db2.gz ODXRFWPWAYJFRM-OAHLLOKOSA-N 0 1 418.526 4.281 20 0 HIADMN COC(=O)c1ccc(COc2ccccc2CNCc2cccc(NC(C)=O)c2)cc1 ZINC000438072905 863456378 /nfs/dbraw/zinc/45/63/78/863456378.db2.gz BWRIFZCRZJJCEF-UHFFFAOYSA-N 0 1 418.493 4.300 20 0 HIADMN CCOC(=O)Cn1nc(C)c(CNCc2ccc(-c3cccc(OC)c3)cc2)c1C ZINC000438191219 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0 HIADMN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCC(c2cccc(Br)c2)CC1 ZINC000467847677 881693942 /nfs/dbraw/zinc/69/39/42/881693942.db2.gz APYJHCUXPONEEC-UHFFFAOYSA-N 0 1 411.303 4.254 20 0 HIADMN OC[C@H](Cc1ccccc1)NCc1csc(-c2cccc(Br)c2)n1 ZINC000438348127 863818005 /nfs/dbraw/zinc/81/80/05/863818005.db2.gz JMDLOQHRBMWWDS-KRWDZBQOSA-N 0 1 403.345 4.266 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000438381185 863837659 /nfs/dbraw/zinc/83/76/59/863837659.db2.gz UDCHLEJDHKYWQU-UAGQMJEPSA-N 0 1 402.285 4.056 20 0 HIADMN COc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3cccc(F)c3)N(C)C)cn2)cc1 ZINC000438413675 863854520 /nfs/dbraw/zinc/85/45/20/863854520.db2.gz SXTNEWOBIXLQMI-NRFANRHFSA-N 0 1 424.476 4.446 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000438416512 863855951 /nfs/dbraw/zinc/85/59/51/863855951.db2.gz FGTMTHVEIFTEOG-JKIFEVAISA-N 0 1 422.357 4.111 20 0 HIADMN COc1ccc(Oc2ccc(NC(=O)NC[C@H](c3ccc(F)cc3)N(C)C)cn2)cc1 ZINC000438428193 863860534 /nfs/dbraw/zinc/86/05/34/863860534.db2.gz RQRHENPFFOBKCG-OAQYLSRUSA-N 0 1 424.476 4.446 20 0 HIADMN COc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)cn2)cc1 ZINC000438428190 863860742 /nfs/dbraw/zinc/86/07/42/863860742.db2.gz RQRHENPFFOBKCG-NRFANRHFSA-N 0 1 424.476 4.446 20 0 HIADMN C[C@@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000438440827 863867431 /nfs/dbraw/zinc/86/74/31/863867431.db2.gz WFQZEZQMODUYOH-BZNIZROVSA-N 0 1 408.811 4.486 20 0 HIADMN COc1ccc([C@@H](C)CC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438458036 863881098 /nfs/dbraw/zinc/88/10/98/863881098.db2.gz HHBGAVQWPWYZMH-ORAYPTAESA-N 0 1 418.419 4.232 20 0 HIADMN Cc1c(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cnc2ccccc12 ZINC000438460818 863883021 /nfs/dbraw/zinc/88/30/21/863883021.db2.gz OWCKSEMOIILQSV-GOSISDBHSA-N 0 1 411.387 4.200 20 0 HIADMN Cc1ccc(SCC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000438461343 863884250 /nfs/dbraw/zinc/88/42/50/863884250.db2.gz OCWVTUNPQMOYIC-GOSISDBHSA-N 0 1 420.460 4.438 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1CCCc2sccc21 ZINC000438462819 863885093 /nfs/dbraw/zinc/88/50/93/863885093.db2.gz RKDXMKXTMHCCIJ-GOEBONIOSA-N 0 1 406.433 4.211 20 0 HIADMN Cc1cc2c(ncnc2N2CCN(Cc3c[nH]nc3-c3cccc(C)c3)CC2)s1 ZINC000438546471 863974622 /nfs/dbraw/zinc/97/46/22/863974622.db2.gz MJWWZBOCZRHCFZ-UHFFFAOYSA-N 0 1 404.543 4.020 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@@H](CC)c1ccccc1 ZINC000438655509 864097869 /nfs/dbraw/zinc/09/78/69/864097869.db2.gz KQZAJUMEPHFBKY-LJQANCHMSA-N 0 1 410.562 4.152 20 0 HIADMN CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000438655885 864099492 /nfs/dbraw/zinc/09/94/92/864099492.db2.gz MBESWAZTWMDSTP-WIYYLYMNSA-N 0 1 402.583 4.270 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000438658487 864104245 /nfs/dbraw/zinc/10/42/45/864104245.db2.gz WBTBSWRTGXLEDY-OAQYLSRUSA-N 0 1 414.575 4.171 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC000438666372 864121596 /nfs/dbraw/zinc/12/15/96/864121596.db2.gz UOJUUPUEXHWTHU-INIZCTEOSA-N 0 1 416.953 4.373 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc(F)cc1OC(F)F)N1CCCC1 ZINC000438679270 864140717 /nfs/dbraw/zinc/14/07/17/864140717.db2.gz IYRHOAAPKBLBPL-QGZVFWFLSA-N 0 1 423.435 4.394 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1OCCC(C)C ZINC000438750593 864240605 /nfs/dbraw/zinc/24/06/05/864240605.db2.gz HAHSYXGRXDPPLH-UHFFFAOYSA-N 0 1 424.906 4.309 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)cn1 ZINC000467883278 881743811 /nfs/dbraw/zinc/74/38/11/881743811.db2.gz NZYWHSVXJAOKDZ-UHFFFAOYSA-N 0 1 401.873 4.048 20 0 HIADMN Cc1noc2ncc(NS(=O)(=O)c3ccc(OCC(F)F)c4ccccc43)cc12 ZINC000438768081 864262186 /nfs/dbraw/zinc/26/21/86/864262186.db2.gz BIUJNGDNYGSVDD-UHFFFAOYSA-N 0 1 419.409 4.129 20 0 HIADMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccc(-c4cccs4)c3)cc2o1 ZINC000438771083 864266011 /nfs/dbraw/zinc/26/60/11/864266011.db2.gz APYJUXLBSPTFIW-UHFFFAOYSA-N 0 1 406.872 4.304 20 0 HIADMN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCC(=O)N1CCC[C@H]1C)CC2 ZINC000438781133 864274195 /nfs/dbraw/zinc/27/41/95/864274195.db2.gz JVMMWJFBNFWSES-MWTRTKDXSA-N 0 1 414.571 4.114 20 0 HIADMN CCOc1cc2c(cc1OCC)CN(CCC(=O)Nc1cc(F)cc(F)c1)CC2 ZINC000438783844 864278704 /nfs/dbraw/zinc/27/87/04/864278704.db2.gz QKFJMDOYJSLPRQ-UHFFFAOYSA-N 0 1 404.457 4.149 20 0 HIADMN Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC000438783635 864278825 /nfs/dbraw/zinc/27/88/25/864278825.db2.gz GULBUKVKGXUJSZ-KRWDZBQOSA-N 0 1 422.554 4.259 20 0 HIADMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000438789180 864281309 /nfs/dbraw/zinc/28/13/09/864281309.db2.gz WIPSLSWZCPLUNU-UHFFFAOYSA-N 0 1 424.295 4.192 20 0 HIADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1 ZINC000438800847 864292621 /nfs/dbraw/zinc/29/26/21/864292621.db2.gz ITTCJYQRFXGWJX-GOSISDBHSA-N 0 1 417.527 4.274 20 0 HIADMN CCCCOc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C)c1 ZINC000438806695 864297245 /nfs/dbraw/zinc/29/72/45/864297245.db2.gz OVRMCTDCIQVECI-UHFFFAOYSA-N 0 1 410.879 4.063 20 0 HIADMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccccc3-c3ccccc3)cc2o1 ZINC000438809547 864300495 /nfs/dbraw/zinc/30/04/95/864300495.db2.gz WMIYLNWFLYRTNE-UHFFFAOYSA-N 0 1 400.843 4.242 20 0 HIADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1 ZINC000438811290 864302739 /nfs/dbraw/zinc/30/27/39/864302739.db2.gz YPHXLBDSDCRKLE-UHFFFAOYSA-N 0 1 403.891 4.165 20 0 HIADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H](C)c3ccc(F)cc3F)c2C1 ZINC000438816465 864308839 /nfs/dbraw/zinc/30/88/39/864308839.db2.gz ZRDKMKFNEDIYBP-GJZGRUSLSA-N 0 1 415.484 4.141 20 0 HIADMN CC[C@@H](c1ccc(F)cc1F)N1CCN(CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000438822298 864315967 /nfs/dbraw/zinc/31/59/67/864315967.db2.gz VPKVKDZRBCOJBU-QFIPXVFZSA-N 0 1 417.500 4.071 20 0 HIADMN COc1ccc(NC(=O)[C@H](N[C@@H]2C[C@@H]3OCCC[C@H]23)c2ccccc2)cc1Cl ZINC000438834990 864329514 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ZINC000439029057 864485520 /nfs/dbraw/zinc/48/55/20/864485520.db2.gz QCEJFEOROAPCPP-BVAGGSTKSA-N 0 1 417.553 4.344 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CCC([C@H]3CCCO3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000439053379 864504201 /nfs/dbraw/zinc/50/42/01/864504201.db2.gz WLJJDXMKORIYGS-DUXKGJEZSA-N 0 1 423.960 4.073 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Cc1cccc(OC(F)(F)F)c1)N1CCCC1 ZINC000439065195 864517449 /nfs/dbraw/zinc/51/74/49/864517449.db2.gz PSTGDGXPDGIIEZ-LJQANCHMSA-N 0 1 422.447 4.090 20 0 HIADMN COCCn1cc2c(n1)[C@@H](N[C@H](c1ccc(Br)s1)C1CC1)CCC2 ZINC000439136163 864568358 /nfs/dbraw/zinc/56/83/58/864568358.db2.gz RQAHFHCFPIDZDK-KSSFIOAISA-N 0 1 410.381 4.472 20 0 HIADMN CCCOc1ccc(NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000439162243 864592816 /nfs/dbraw/zinc/59/28/16/864592816.db2.gz BSOAXKXYOVNUEM-KRWDZBQOSA-N 0 1 409.530 4.413 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000439163132 864593591 /nfs/dbraw/zinc/59/35/91/864593591.db2.gz FTCZHLXYVRANHF-MRXNPFEDSA-N 0 1 412.440 4.063 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC(COc3ccccc3)CC2)CC1 ZINC000439190101 864617569 /nfs/dbraw/zinc/61/75/69/864617569.db2.gz OEGKORXMYXMNOL-HXUWFJFHSA-N 0 1 422.573 4.108 20 0 HIADMN CC[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1cc(F)ccc1F ZINC000439191150 864617686 /nfs/dbraw/zinc/61/76/86/864617686.db2.gz LOLGAZYXXKBGCA-BTYIYWSLSA-N 0 1 402.489 4.336 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000439191252 864617768 /nfs/dbraw/zinc/61/77/68/864617768.db2.gz MFPYYUJRFXMOPC-AYBZRNKSSA-N 0 1 412.500 4.275 20 0 HIADMN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439193069 864618917 /nfs/dbraw/zinc/61/89/17/864618917.db2.gz QXGVIRMGEXZPKM-FDDCHVKYSA-N 0 1 412.553 4.313 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000439195224 864620899 /nfs/dbraw/zinc/62/08/99/864620899.db2.gz AGZWKKONBAVVQK-YADARESESA-N 0 1 421.589 4.220 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000439194371 864621060 /nfs/dbraw/zinc/62/10/60/864621060.db2.gz VQJAQCVHTNUQFN-UWJYYQICSA-N 0 1 421.570 4.152 20 0 HIADMN Cc1ccc(C[C@H]2CCCN2C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000439196197 864622721 /nfs/dbraw/zinc/62/27/21/864622721.db2.gz FASXIWCKRWFXMQ-HYBUGGRVSA-N 0 1 406.574 4.332 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC000439199251 864624635 /nfs/dbraw/zinc/62/46/35/864624635.db2.gz NIWQFNHZZVEPOC-WZONZLPQSA-N 0 1 410.537 4.163 20 0 HIADMN CC(C)[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)Nc1ccccc1 ZINC000439202248 864626417 /nfs/dbraw/zinc/62/64/17/864626417.db2.gz VKXHJGNIOOYVSD-WMZHIEFXSA-N 0 1 409.578 4.043 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 ZINC000439204034 864628035 /nfs/dbraw/zinc/62/80/35/864628035.db2.gz XIKHLHIHNGGTCZ-DGGJZMOXSA-N 0 1 410.537 4.369 20 0 HIADMN CCc1nc(C)c([C@@H](C)N(C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 ZINC000439214673 864634275 /nfs/dbraw/zinc/63/42/75/864634275.db2.gz ONHSZFPZKGAAEU-DLBZAZTESA-N 0 1 415.607 4.337 20 0 HIADMN O=C(Cc1cnc2ccccc2c1)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439262028 864679920 /nfs/dbraw/zinc/67/99/20/864679920.db2.gz SWWJMMAKWZLABC-FQEVSTJZSA-N 0 1 413.443 4.187 20 0 HIADMN O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000439272970 864689987 /nfs/dbraw/zinc/68/99/87/864689987.db2.gz JLVXCRYOCUMOPY-UHFFFAOYSA-N 0 1 418.457 4.168 20 0 HIADMN O=C(CN1CCC([C@H]2CCCO2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000439275491 864695425 /nfs/dbraw/zinc/69/54/25/864695425.db2.gz RQNHWBAQKUFAEK-VWNXMTODSA-N 0 1 412.961 4.437 20 0 HIADMN CC[C@@]1(CO)CCCN1Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000439288111 864709331 /nfs/dbraw/zinc/70/93/31/864709331.db2.gz ZGMJTKPSZOBMDX-SFHVURJKSA-N 0 1 411.365 4.318 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000439292693 864713431 /nfs/dbraw/zinc/71/34/31/864713431.db2.gz FSWDYAOVIJTWAT-HNNXBMFYSA-N 0 1 405.502 4.447 20 0 HIADMN COc1ccc(OC(C)C)c(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000439373457 864807606 /nfs/dbraw/zinc/80/76/06/864807606.db2.gz ARIXQRKJDUEJLH-QGZVFWFLSA-N 0 1 412.534 4.225 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(Cl)c1 ZINC000439386244 864813793 /nfs/dbraw/zinc/81/37/93/864813793.db2.gz MKRSAWKEUQUKKG-AWEZNQCLSA-N 0 1 415.925 4.041 20 0 HIADMN Cc1cccc(Cl)c1NC(=O)CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000439438083 864831480 /nfs/dbraw/zinc/83/14/80/864831480.db2.gz KPSRZWUQGUHQAI-KRWDZBQOSA-N 0 1 423.826 4.103 20 0 HIADMN O=C(Nc1ccc(F)cc1)[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000439448013 864835039 /nfs/dbraw/zinc/83/50/39/864835039.db2.gz GSAOXIVSJRRQDU-LEWJYISDSA-N 0 1 401.445 4.003 20 0 HIADMN O=C(CN[C@H](c1nnc[nH]1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000439448743 864835821 /nfs/dbraw/zinc/83/58/21/864835821.db2.gz SYVVJLCAYWSJRJ-HNNXBMFYSA-N 0 1 410.692 4.083 20 0 HIADMN CC[C@@](C)(NC[C@H](O)COc1cc(F)cc(Br)c1)c1nc(C)cs1 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COc1ccccc1O[C@@H](C)CN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000439637127 864965145 /nfs/dbraw/zinc/96/51/45/864965145.db2.gz FKGWPTAREKSOFP-YADARESESA-N 0 1 404.510 4.110 20 0 HIADMN COc1ccc(O[C@@H](C)CN[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)cc1 ZINC000439642146 864968248 /nfs/dbraw/zinc/96/82/48/864968248.db2.gz GBNVXBQSUPOXEQ-UUOWRZLLSA-N 0 1 420.509 4.441 20 0 HIADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2NC(C)(C)C)N2CCCC2)cc1 ZINC000439715142 865051722 /nfs/dbraw/zinc/05/17/22/865051722.db2.gz DCHXNRRMMOWICA-QFIPXVFZSA-N 0 1 422.573 4.097 20 0 HIADMN Cc1ccc(-c2nc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cs2)cc1 ZINC000439730735 865063249 /nfs/dbraw/zinc/06/32/49/865063249.db2.gz LGLGCOFXHRUWPB-QGZVFWFLSA-N 0 1 406.555 4.469 20 0 HIADMN CC(C)c1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)nn1-c1ccccc1 ZINC000439739098 865071049 /nfs/dbraw/zinc/07/10/49/865071049.db2.gz MCZDGJYEKGBZJD-IBGZPJMESA-N 0 1 417.557 4.346 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000439748821 865079114 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868886156 /nfs/dbraw/zinc/88/61/56/868886156.db2.gz FZMKIGMICILDSC-UTKZUKDTSA-N 0 1 409.534 4.217 20 0 HIADMN CCc1ccccc1CCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000444594934 868895860 /nfs/dbraw/zinc/89/58/60/868895860.db2.gz TXMZBRMUCGVKFK-UHFFFAOYSA-N 0 1 419.491 4.067 20 0 HIADMN COC(=O)c1ccc2[nH]cc(C(=O)CN[C@@H](C)[C@@H](OC)c3ccccc3Cl)c2c1 ZINC000444619186 868911245 /nfs/dbraw/zinc/91/12/45/868911245.db2.gz WMZRPNYNZCHAJY-YEJXKQKISA-N 0 1 414.889 4.156 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CCC(CO)(Cc4ccccc4)CC3)n[nH]2)c(C)c1 ZINC000444629935 868919993 /nfs/dbraw/zinc/91/99/93/868919993.db2.gz YIAVPQNJIDCENN-UHFFFAOYSA-N 0 1 403.526 4.151 20 0 HIADMN O=C(CN1CC[C@H](CC(F)(F)F)C1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000444695827 868962673 /nfs/dbraw/zinc/96/26/73/868962673.db2.gz GMSPKZAXTYCGAP-FOIQADDNSA-N 0 1 408.489 4.497 20 0 HIADMN COc1cccc(CNC(=O)CN[C@@H](C)c2cccc(OCc3ccccc3)c2)c1 ZINC000444702638 868965649 /nfs/dbraw/zinc/96/56/49/868965649.db2.gz YGMGDEPOAJQPLO-IBGZPJMESA-N 0 1 404.510 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20 0 HIADMN CN(C)[C@@H](CNC(=O)N1CCn2c(cc3c2cccc3Cl)C1)c1cccs1 ZINC000444888270 869078781 /nfs/dbraw/zinc/07/87/81/869078781.db2.gz JPCASAXMWQWYBS-SFHVURJKSA-N 0 1 402.951 4.184 20 0 HIADMN COc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1F ZINC000445012267 869163959 /nfs/dbraw/zinc/16/39/59/869163959.db2.gz JQLRJIFFHIWBOK-HNNXBMFYSA-N 0 1 401.486 4.412 20 0 HIADMN Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cnn1 ZINC000468340238 882274727 /nfs/dbraw/zinc/27/47/27/882274727.db2.gz GLHVRVAJRFNBCC-SFHVURJKSA-N 0 1 411.387 4.200 20 0 HIADMN Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)cnn1 ZINC000468340237 882275064 /nfs/dbraw/zinc/27/50/64/882275064.db2.gz GLHVRVAJRFNBCC-GOSISDBHSA-N 0 1 411.387 4.200 20 0 HIADMN CCOC(=O)c1sc(NC(=O)c2cn[nH]c2-c2ccc(OC)cc2)nc1C(C)C ZINC000445133323 869234453 /nfs/dbraw/zinc/23/44/53/869234453.db2.gz GYSXQDVBOOGGFR-UHFFFAOYSA-N 0 1 414.487 4.094 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 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413.923 4.091 20 0 HIADMN COC[C@@H](C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000445515831 869577933 /nfs/dbraw/zinc/57/79/33/869577933.db2.gz YZAKORONXXDJRN-ORAYPTAESA-N 0 1 405.420 4.460 20 0 HIADMN C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000468367981 882310128 /nfs/dbraw/zinc/31/01/28/882310128.db2.gz LLBGWRVTWBTPJR-OAHLLOKOSA-N 0 1 402.510 4.273 20 0 HIADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(OC)cc1C ZINC000468384984 882328223 /nfs/dbraw/zinc/32/82/23/882328223.db2.gz QVBWIMZOJMIOOV-LBPRGKRZSA-N 0 1 417.886 4.011 20 0 HIADMN CC(C)(C)C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000468384609 882329189 /nfs/dbraw/zinc/32/91/89/882329189.db2.gz OMNHIGGBRZWUDU-NRFANRHFSA-N 0 1 412.553 4.027 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc(N3CCCC3)c2)N2CCCC2)o1 ZINC000445695966 869762423 /nfs/dbraw/zinc/76/24/23/869762423.db2.gz BAELXBSFUUOQOB-KNQAVFIVSA-N 0 1 410.562 4.386 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)N2CCCC2)o1 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422.447 4.035 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cnc(Cc2ccccc2)s1 ZINC000445994750 869958889 /nfs/dbraw/zinc/95/88/89/869958889.db2.gz IODQMKUCWVLVLJ-UHFFFAOYSA-N 0 1 409.530 4.267 20 0 HIADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000446009555 869975717 /nfs/dbraw/zinc/97/57/17/869975717.db2.gz DDHSVMVPLSPWJG-UHFFFAOYSA-N 0 1 413.466 4.033 20 0 HIADMN Cc1cc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)[nH]n1 ZINC000446009464 869975906 /nfs/dbraw/zinc/97/59/06/869975906.db2.gz GKKGQZPBTYGXIB-IBGZPJMESA-N 0 1 402.267 4.068 20 0 HIADMN CCCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000446041311 870003870 /nfs/dbraw/zinc/00/38/70/870003870.db2.gz HWRCFSBEHUOOBX-UHFFFAOYSA-N 0 1 420.916 4.113 20 0 HIADMN O=C1[C@H](Sc2nc(-c3ccccc3O)n[nH]2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000446056934 870018903 /nfs/dbraw/zinc/01/89/03/870018903.db2.gz WYAIDJVKIRJFGX-OAHLLOKOSA-N 0 1 421.309 4.382 20 0 HIADMN C[C@@H](c1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1)N1CCOCC1 ZINC000446062138 870022859 /nfs/dbraw/zinc/02/28/59/870022859.db2.gz NCLKELUFVASOKT-HNNXBMFYSA-N 0 1 410.905 4.376 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H](C)c3noc(-c4ccccc4)n3)n2)c(OC)c1 ZINC000446071926 870027413 /nfs/dbraw/zinc/02/74/13/870027413.db2.gz OCFXODMPWLESIG-GFCCVEGCSA-N 0 1 409.471 4.392 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)N2CCCC2)cc1 ZINC000446129443 870072857 /nfs/dbraw/zinc/07/28/57/870072857.db2.gz YYRZFRFQZFBESH-OAQYLSRUSA-N 0 1 400.469 4.189 20 0 HIADMN O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(Nc2ccncc2)cc1 ZINC000468433361 882376254 /nfs/dbraw/zinc/37/62/54/882376254.db2.gz VXDHMVSGACHMEX-XMMPIXPASA-N 0 1 422.488 4.357 20 0 HIADMN O=C(CCCC(=O)c1ccc(Br)cc1)Nc1ccccc1-c1nnc[nH]1 ZINC000446226963 870165153 /nfs/dbraw/zinc/16/51/53/870165153.db2.gz NKOOXMZUUNMCPG-UHFFFAOYSA-N 0 1 413.275 4.226 20 0 HIADMN CN1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)[C@@H]1c1cccs1 ZINC000446271642 870208031 /nfs/dbraw/zinc/20/80/31/870208031.db2.gz YQFAVZDHHMDTDB-YCRPNKLZSA-N 0 1 406.498 4.189 20 0 HIADMN COc1cc(OC)c(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1F ZINC000446361330 870270949 /nfs/dbraw/zinc/27/09/49/870270949.db2.gz BCOUYLFVXVSLKM-UHFFFAOYSA-N 0 1 415.490 4.196 20 0 HIADMN Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000446491759 870406664 /nfs/dbraw/zinc/40/66/64/870406664.db2.gz BGKHAUKGPLCGGM-ROUUACIJSA-N 0 1 415.419 4.208 20 0 HIADMN CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)C1 ZINC000446547925 870461934 /nfs/dbraw/zinc/46/19/34/870461934.db2.gz VROYCIVRDLDTCZ-XOKHGSTOSA-N 0 1 409.456 4.427 20 0 HIADMN C[C@H](NC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1)c1cc(F)c(Cl)cc1Cl ZINC000446564613 870475478 /nfs/dbraw/zinc/47/54/78/870475478.db2.gz LFGCTNSCTPKCJG-MGPLVRAMSA-N 0 1 408.264 4.400 20 0 HIADMN C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000446578052 870489535 /nfs/dbraw/zinc/48/95/35/870489535.db2.gz OXMJEDJVUQKZKH-KBXCAEBGSA-N 0 1 417.435 4.233 20 0 HIADMN O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000446584279 870493179 /nfs/dbraw/zinc/49/31/79/870493179.db2.gz FCKVDFHFUJATCP-NRFANRHFSA-N 0 1 417.444 4.325 20 0 HIADMN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000446600407 870506130 /nfs/dbraw/zinc/50/61/30/870506130.db2.gz QGMTUWXLBFKXSV-PJSAGSTRSA-N 0 1 415.419 4.146 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCc2sccc21 ZINC000446650091 870564007 /nfs/dbraw/zinc/56/40/07/870564007.db2.gz XVSAHNAISNEIKZ-GDBMZVCRSA-N 0 1 421.448 4.351 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000446653552 870569342 /nfs/dbraw/zinc/56/93/42/870569342.db2.gz MZZJILPRUKIKFR-UHFFFAOYSA-N 0 1 411.575 4.192 20 0 HIADMN O=C(N[C@H]1COc2ccc(F)cc21)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000468472408 882426300 /nfs/dbraw/zinc/42/63/00/882426300.db2.gz YQOVJSZHMITJHO-DLBZAZTESA-N 0 1 400.841 4.336 20 0 HIADMN Cc1cccc(C)c1OC[C@@H](NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1)C(C)(C)C 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/nfs/dbraw/zinc/60/53/95/870605395.db2.gz PNYSLBKATLIMRZ-HXUWFJFHSA-N 0 1 419.510 4.131 20 0 HIADMN Cc1nc(C)c(C(=O)Nc2ccc(CN3CCN(c4cccc(C)c4)CC3)cc2)o1 ZINC000468477288 882437670 /nfs/dbraw/zinc/43/76/70/882437670.db2.gz WTKFDZXSLXLKAO-UHFFFAOYSA-N 0 1 404.514 4.174 20 0 HIADMN CCCOc1ccc(CNC2(c3cccc(OC)c3F)CCOCC2)cc1OC ZINC000446821834 870737957 /nfs/dbraw/zinc/73/79/57/870737957.db2.gz SKSPFPCJGSYJCW-UHFFFAOYSA-N 0 1 403.494 4.427 20 0 HIADMN Cc1nn2c(CNC3(c4cccc(C(F)(F)F)c4)CCOCC3)c(C)nc2s1 ZINC000446828663 870744457 /nfs/dbraw/zinc/74/44/57/870744457.db2.gz XPJKXKJOAAANEJ-UHFFFAOYSA-N 0 1 410.465 4.222 20 0 HIADMN CC1(C)CN(C2(CN[C@@H](c3ncc[nH]3)c3ccc(F)cc3)CCCCC2)CCO1 ZINC000446841231 870760037 /nfs/dbraw/zinc/76/00/37/870760037.db2.gz NEZJDJDQJFSNOB-HXUWFJFHSA-N 0 1 400.542 4.042 20 0 HIADMN CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cc1 ZINC000446862214 870783272 /nfs/dbraw/zinc/78/32/72/870783272.db2.gz PKOWCKRBGBGBGF-KRWDZBQOSA-N 0 1 409.530 4.411 20 0 HIADMN O=S1(=O)CCCC[C@H]1CN[C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446914612 870831249 /nfs/dbraw/zinc/83/12/49/870831249.db2.gz ODFYAEKMBPGQMJ-BBRMVZONSA-N 0 1 406.773 4.111 20 0 HIADMN Cc1nccnc1[C@@H](C)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000446918557 870834598 /nfs/dbraw/zinc/83/45/98/870834598.db2.gz AANDXMKCQUKMMO-LLVKDONJSA-N 0 1 404.230 4.296 20 0 HIADMN CN(C)Cc1ccsc1C(=O)NCCCCc1nc(-c2cccnc2)cs1 ZINC000446965953 870866272 /nfs/dbraw/zinc/86/62/72/870866272.db2.gz KHJWMNISJXCHCK-UHFFFAOYSA-N 0 1 400.573 4.081 20 0 HIADMN Cc1cc(NC(=O)CNCc2c[nH]nc2-c2ccccc2F)ccc1Br ZINC000446989738 870879945 /nfs/dbraw/zinc/87/99/45/870879945.db2.gz GHGUXOUGTURSAB-UHFFFAOYSA-N 0 1 417.282 4.015 20 0 HIADMN COc1cc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)ccc1OCc1ccncc1 ZINC000468483779 882454572 /nfs/dbraw/zinc/45/45/72/882454572.db2.gz NUPGNXSCRIXIET-FQEVSTJZSA-N 0 1 412.530 4.223 20 0 HIADMN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000468487183 882459540 /nfs/dbraw/zinc/45/95/40/882459540.db2.gz KUZGTAJYBYASHJ-KBXCAEBGSA-N 0 1 417.435 4.147 20 0 HIADMN CS(=O)(=O)c1ccc(CNCc2cccc(-c3ccncc3)c2)cc1C(F)(F)F ZINC000447088658 870980847 /nfs/dbraw/zinc/98/08/47/870980847.db2.gz SMVNMUHDKVCICV-UHFFFAOYSA-N 0 1 420.456 4.461 20 0 HIADMN COc1cc(CN2CCC(Oc3ncccc3F)CC2)ccc1OCC(F)(F)F ZINC000447099310 870999394 /nfs/dbraw/zinc/99/93/94/870999394.db2.gz QWVVKYMEGVKHGE-UHFFFAOYSA-N 0 1 414.399 4.214 20 0 HIADMN C[C@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1 ZINC000468490717 882470295 /nfs/dbraw/zinc/47/02/95/882470295.db2.gz AEFMHUYOIZHQBP-ZBEGNZNMSA-N 0 1 423.826 4.183 20 0 HIADMN C[C@@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)c1 ZINC000468490714 882470890 /nfs/dbraw/zinc/47/08/90/882470890.db2.gz AEFMHUYOIZHQBP-BDJLRTHQSA-N 0 1 423.826 4.183 20 0 HIADMN Cn1c(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc21 ZINC000468494778 882479203 /nfs/dbraw/zinc/47/92/03/882479203.db2.gz IDTMBSPHZNNBEX-KRWDZBQOSA-N 0 1 420.826 4.243 20 0 HIADMN 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CCOc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000468760277 882846501 /nfs/dbraw/zinc/84/65/01/882846501.db2.gz APARWFZHPGIMQS-UHFFFAOYSA-N 0 1 401.850 4.398 20 0 HIADMN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H]3CCCN3Cc3ccccc3)cc2)n1 ZINC000461563898 874659322 /nfs/dbraw/zinc/65/93/22/874659322.db2.gz OZHKFBBMSFZUKS-HYBUGGRVSA-N 0 1 402.542 4.331 20 0 HIADMN CC[C@@H](Cc1ccccc1)N(CC)Cc1nnnn1-c1ccccc1Br ZINC000468775530 882854530 /nfs/dbraw/zinc/85/45/30/882854530.db2.gz BDRGOPZAJIUEJZ-KRWDZBQOSA-N 0 1 414.351 4.268 20 0 HIADMN COc1ccc(C2(C(=O)Nc3cccc4c3OCC[C@@H]4N(C)C)CCC2)cc1OC ZINC000468797782 882864528 /nfs/dbraw/zinc/86/45/28/882864528.db2.gz BHNVJSOKOIVFAV-IBGZPJMESA-N 0 1 410.514 4.149 20 0 HIADMN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000468803465 882867219 /nfs/dbraw/zinc/86/72/19/882867219.db2.gz CNMIGRCKWUELNE-KRWDZBQOSA-N 0 1 422.479 4.044 20 0 HIADMN Cc1c([C@H](C)NCc2ccc(Br)cc2N2CCOCC2)cnn1C(C)C ZINC000468810044 882870466 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C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000461992664 875112609 /nfs/dbraw/zinc/11/26/09/875112609.db2.gz SJCZMMQRLCKGRS-INIZCTEOSA-N 0 1 420.384 4.102 20 0 HIADMN C[C@H](CNC(=O)c1cccc(CN2CCN(C)CC2)c1)c1c(Cl)cccc1Cl ZINC000461999443 875120258 /nfs/dbraw/zinc/12/02/58/875120258.db2.gz GLIPPFVBQKPMOU-MRXNPFEDSA-N 0 1 420.384 4.274 20 0 HIADMN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@H]1CCCCN1Cc1ccccc1 ZINC000462003776 875124891 /nfs/dbraw/zinc/12/48/91/875124891.db2.gz OYIALYHEUVAWGN-OAQYLSRUSA-N 0 1 401.514 4.342 20 0 HIADMN COc1cc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)sc1Br ZINC000468868070 882898537 /nfs/dbraw/zinc/89/85/37/882898537.db2.gz FEZROTCIHOYBHC-GFCCVEGCSA-N 0 1 411.321 4.157 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccnc(N2CCC[C@@H](C)C2)c1 ZINC000462035159 875149134 /nfs/dbraw/zinc/14/91/34/875149134.db2.gz YMNAVVFENUWOMN-GOSISDBHSA-N 0 1 424.614 4.427 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cc(-c4ccccc4)ns3)cc2)C[C@@H](C)O1 ZINC000462035953 875150371 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ZINC000462506855 875621501 /nfs/dbraw/zinc/62/15/01/875621501.db2.gz YJGVALYKEMBDFQ-KSSFIOAISA-N 0 1 416.363 4.410 20 0 HIADMN Cc1nc2c(n1[C@@H]1CCN(C(=O)[C@@H](C)c3cccc(Br)c3)C1)CCCC2 ZINC000462506851 875622390 /nfs/dbraw/zinc/62/23/90/875622390.db2.gz YJGVALYKEMBDFQ-KBXCAEBGSA-N 0 1 416.363 4.410 20 0 HIADMN Cc1c([C@@H](C)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cnn1C(C)(C)C ZINC000468897714 882948371 /nfs/dbraw/zinc/94/83/71/882948371.db2.gz HIYLFQXHJXAEJK-JLTOFOAXSA-N 0 1 404.505 4.067 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@@]3(C)OCCc4sccc43)[nH]c2c1 ZINC000462516430 875633892 /nfs/dbraw/zinc/63/38/92/875633892.db2.gz XPYCNHCPYKLFAN-XMSQKQJNSA-N 0 1 410.543 4.267 20 0 HIADMN COc1ccc(CN2CCC(CNS(=O)(=O)c3cccc(C(C)C)c3)CC2)cc1 ZINC000462525364 875642383 /nfs/dbraw/zinc/64/23/83/875642383.db2.gz KHKBSKNLJFAPDB-UHFFFAOYSA-N 0 1 416.587 4.009 20 0 HIADMN CCOc1ccc(CNCc2cc(Br)cc3c2OCC3)cc1OCC ZINC000462544592 875666294 /nfs/dbraw/zinc/66/62/94/875666294.db2.gz AXZHSSXVTRORIQ-UHFFFAOYSA-N 0 1 406.320 4.471 20 0 HIADMN O=C1[C@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)CCCN1Cc1ccc(F)cc1F ZINC000468901360 882954409 /nfs/dbraw/zinc/95/44/09/882954409.db2.gz HFHLCBIAOGVFLW-NHCUHLMSSA-N 0 1 412.480 4.492 20 0 HIADMN Cn1ccc(N2CCC[C@H](NCc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)n1 ZINC000462740374 875811389 /nfs/dbraw/zinc/81/13/89/875811389.db2.gz RENGCEGRSWXYJY-KRWDZBQOSA-N 0 1 419.312 4.272 20 0 HIADMN COc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1Cl ZINC000462742553 875812584 /nfs/dbraw/zinc/81/25/84/875812584.db2.gz VVSJRSYBPHSTLT-QGZVFWFLSA-N 0 1 410.848 4.235 20 0 HIADMN CCCn1c(C(=O)Nc2nc(-c3ccc(OC)cc3OC)n[nH]2)cc2ccccc21 ZINC000468911264 882969688 /nfs/dbraw/zinc/96/96/88/882969688.db2.gz KGJNVTCONQYPSQ-UHFFFAOYSA-N 0 1 405.458 4.106 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3cncc4ccccc43)cc2)C[C@@H](C)O1 ZINC000462769851 875829978 /nfs/dbraw/zinc/82/99/78/875829978.db2.gz ZYOGFNXIYFYWTJ-WOJBJXKFSA-N 0 1 417.553 4.093 20 0 HIADMN COC(=O)c1cc(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)n(C)c1C 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421.385 4.461 20 0 HIADMN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000462877883 875907294 /nfs/dbraw/zinc/90/72/94/875907294.db2.gz RHMJPHNFFGTZEZ-IBGZPJMESA-N 0 1 415.459 4.436 20 0 HIADMN Cc1noc(CSc2ccccc2C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)n1 ZINC000468917344 882978430 /nfs/dbraw/zinc/97/84/30/882978430.db2.gz JDXQTKIWTUXORE-GOSISDBHSA-N 0 1 424.526 4.308 20 0 HIADMN CN(CCOc1ccc(OCc2ccccc2)cc1)Cc1cn(C)nc1C(F)F ZINC000462960032 875973931 /nfs/dbraw/zinc/97/39/31/875973931.db2.gz RFWHLLCXEMIRFR-UHFFFAOYSA-N 0 1 401.457 4.448 20 0 HIADMN Cn1cc(CN2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c(C(F)F)n1 ZINC000462962026 875976561 /nfs/dbraw/zinc/97/65/61/875976561.db2.gz HDCYKCNHVCZYEN-ZDUSSCGKSA-N 0 1 407.852 4.441 20 0 HIADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(Br)cc2OCCCO)c(C)n1 ZINC000462968084 875981307 /nfs/dbraw/zinc/98/13/07/875981307.db2.gz RUGMABAMFUNBCG-OLZOCXBDSA-N 0 1 408.340 4.029 20 0 HIADMN COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000468922599 882983817 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Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000474494476 889354445 /nfs/dbraw/zinc/35/44/45/889354445.db2.gz GVUGCVFFXWCDGK-MRXNPFEDSA-N 0 1 410.562 4.093 20 0 HIADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000474494476 889354461 /nfs/dbraw/zinc/35/44/61/889354461.db2.gz GVUGCVFFXWCDGK-MRXNPFEDSA-N 0 1 410.562 4.093 20 0 HIADMN CC(C)Oc1ccc(Br)cc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000474508178 889371301 /nfs/dbraw/zinc/37/13/01/889371301.db2.gz ZQLHZMDJZDAZOK-UHFFFAOYSA-N 0 1 401.264 4.274 20 0 HIADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000474546224 889422388 /nfs/dbraw/zinc/42/23/88/889422388.db2.gz WKGXCBURJIPNQY-UHFFFAOYSA-N 0 1 424.589 4.483 20 0 HIADMN Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000474546224 889422394 /nfs/dbraw/zinc/42/23/94/889422394.db2.gz WKGXCBURJIPNQY-UHFFFAOYSA-N 0 1 424.589 4.483 20 0 HIADMN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000474556849 889432704 /nfs/dbraw/zinc/43/27/04/889432704.db2.gz KWVGHXBGXLYQCL-HXUWFJFHSA-N 0 1 401.595 4.026 20 0 HIADMN Cc1nc2ccccc2n1C1CCN(C(=O)NCc2ccc(CN(C)C)c(F)c2)CC1 ZINC000474558972 889436052 /nfs/dbraw/zinc/43/60/52/889436052.db2.gz KKVSISUSCVIGGT-UHFFFAOYSA-N 0 1 423.536 4.092 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000474566286 889442318 /nfs/dbraw/zinc/44/23/18/889442318.db2.gz IQLSBCSAQUCFNC-DHJUGAMNSA-N 0 1 410.537 4.382 20 0 HIADMN Cc1nc(-c2cccc(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)c2)n[nH]1 ZINC000474574693 889449732 /nfs/dbraw/zinc/44/97/32/889449732.db2.gz DPBJFLSYHHLBTR-UHFFFAOYSA-N 0 1 423.948 4.076 20 0 HIADMN O=C(CCc1c[nH]cn1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000474590992 889460164 /nfs/dbraw/zinc/46/01/64/889460164.db2.gz CUFWEVNGPZCQML-IBGZPJMESA-N 0 1 413.403 4.143 20 0 HIADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1ccc(OC2CCCCC2)cc1 ZINC000474594207 889462743 /nfs/dbraw/zinc/46/27/43/889462743.db2.gz NWABNTUWBUDASV-UHFFFAOYSA-N 0 1 406.486 4.025 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H](C)c3cn(-c4ccccc4)nn3)[nH]c2c1 ZINC000474660879 889524901 /nfs/dbraw/zinc/52/49/01/889524901.db2.gz MEUVOTITSASIQK-IERDGZPVSA-N 0 1 415.501 4.060 20 0 HIADMN CCC(CC)(CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)[NH2+][C@@H](C)c1ccccc1 ZINC000474700410 889558871 /nfs/dbraw/zinc/55/88/71/889558871.db2.gz DJASQQKGEZMDQJ-INIZCTEOSA-N 0 1 412.578 4.428 20 0 HIADMN OC[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(F)cc1 ZINC000474705656 889563642 /nfs/dbraw/zinc/56/36/42/889563642.db2.gz DCZZPXDVWLRMEM-AWEZNQCLSA-N 0 1 408.189 4.310 20 0 HIADMN CCOC(=O)c1coc(CNC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000474720195 889577421 /nfs/dbraw/zinc/57/74/21/889577421.db2.gz PJNOCUXLLXEZAC-UHFFFAOYSA-N 0 1 408.292 4.014 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cc(F)c(Br)cc1Cl)c1ccsc1 ZINC000474776960 889633961 /nfs/dbraw/zinc/63/39/61/889633961.db2.gz UHOVNSRXPLPNAO-CQSZACIVSA-N 0 1 405.720 4.336 20 0 HIADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000474823753 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405.433 4.078 20 0 HIADMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000476508829 891420890 /nfs/dbraw/zinc/42/08/90/891420890.db2.gz HZOMJXACZZGFTQ-UHFFFAOYSA-N 0 1 414.537 4.347 20 0 HIADMN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4[nH]3)n2)c(F)c1 ZINC000476516765 891431269 /nfs/dbraw/zinc/43/12/69/891431269.db2.gz UKUJFSGZTUTBPZ-UHFFFAOYSA-N 0 1 422.441 4.001 20 0 HIADMN Cc1nc2ccc(C(=O)NC[C@@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc2n1C ZINC000476524871 891437284 /nfs/dbraw/zinc/43/72/84/891437284.db2.gz NOBZOKHHUDYFQP-KKSFZXQISA-N 0 1 414.912 4.097 20 0 HIADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1cc(F)ccc1-n1cccn1 ZINC000476528401 891440804 /nfs/dbraw/zinc/44/08/04/891440804.db2.gz BWZPHGPPOHUNMY-UHFFFAOYSA-N 0 1 410.630 4.385 20 0 HIADMN Cc1cc(Br)cc2c1CN(C(=O)[C@H]1CCc3[nH]c(C(C)C)nc3C1)CC2 ZINC000476579264 891502678 /nfs/dbraw/zinc/50/26/78/891502678.db2.gz RKZVCZFNRFSLAQ-HNNXBMFYSA-N 0 1 416.363 4.294 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C1)C2 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4.062 20 0 HIADMN CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000476839203 891815528 /nfs/dbraw/zinc/81/55/28/891815528.db2.gz CLFDYNGTRUHJQR-UHFFFAOYSA-N 0 1 403.891 4.140 20 0 HIADMN C[C@@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)C1(c2ccccc2)CCCC1 ZINC000476848188 891821769 /nfs/dbraw/zinc/82/17/69/891821769.db2.gz OXGAIKLJKLFVAH-HXUWFJFHSA-N 0 1 406.574 4.246 20 0 HIADMN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000476880600 891839504 /nfs/dbraw/zinc/83/95/04/891839504.db2.gz HTNPBQHWDBAUQM-KSSFIOAISA-N 0 1 401.448 4.163 20 0 HIADMN Cn1nccc1CCC(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000476895198 891853124 /nfs/dbraw/zinc/85/31/24/891853124.db2.gz OIDJCEBSLFHEKH-UHFFFAOYSA-N 0 1 424.302 4.297 20 0 HIADMN COc1cc(NC(=O)CN(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000476992206 891918403 /nfs/dbraw/zinc/91/84/03/891918403.db2.gz DIMMODQHJJHSME-HUUCEWRRSA-N 0 1 420.937 4.428 20 0 HIADMN COc1cc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)ncc1Br ZINC000477003233 891929101 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408.315 4.198 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C2 ZINC000477124161 892053353 /nfs/dbraw/zinc/05/33/53/892053353.db2.gz DOXAJDGKRPYGKB-IIYDPXPESA-N 0 1 420.326 4.212 20 0 HIADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000477176941 892097431 /nfs/dbraw/zinc/09/74/31/892097431.db2.gz MHSUEYFPLHGIFW-UHFFFAOYSA-N 0 1 407.558 4.037 20 0 HIADMN CN1CCN(c2ccc(NC(=O)c3ccn(C4CCCC4)n3)c(C(F)(F)F)c2)CC1 ZINC000477225807 892162676 /nfs/dbraw/zinc/16/26/76/892162676.db2.gz FMNVSAXINOPVDR-UHFFFAOYSA-N 0 1 421.467 4.021 20 0 HIADMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000477226350 892163935 /nfs/dbraw/zinc/16/39/35/892163935.db2.gz XQYWHDQPKOYFPA-VQTJNVASSA-N 0 1 412.511 4.026 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)COc2ccc3cc(Br)ccc3c2)n[nH]1 ZINC000477261535 892213485 /nfs/dbraw/zinc/21/34/85/892213485.db2.gz FPHMIUAXNXZTAC-LBPRGKRZSA-N 0 1 417.307 4.100 20 0 HIADMN Cc1cc(C)n(-c2cccc(NC(=O)NC[C@H](C)N3CCc4ccccc4C3)c2)n1 ZINC000504906940 913640538 /nfs/dbraw/zinc/64/05/38/913640538.db2.gz BXBWDVAIAVSRHW-IBGZPJMESA-N 0 1 403.530 4.057 20 0 HIADMN Cc1cc(C)n(-c2cccc(NC(=O)NC[C@@H](C)N3CCc4ccccc4C3)c2)n1 ZINC000504906941 913641075 /nfs/dbraw/zinc/64/10/75/913641075.db2.gz BXBWDVAIAVSRHW-LJQANCHMSA-N 0 1 403.530 4.057 20 0 HIADMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000477288626 892247717 /nfs/dbraw/zinc/24/77/17/892247717.db2.gz HYEDDQVYGIUSCF-UHFFFAOYSA-N 0 1 412.511 4.149 20 0 HIADMN Cc1cc(SCC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(C)cc1Br ZINC000477303110 892264756 /nfs/dbraw/zinc/26/47/56/892264756.db2.gz VQFUNLAUAAFVST-GFCCVEGCSA-N 0 1 411.369 4.277 20 0 HIADMN CCc1nc([C@@H](C)NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)n[nH]1 ZINC000477305457 892266622 /nfs/dbraw/zinc/26/66/22/892266622.db2.gz JERMCWAXEMAAGO-CYBMUJFWSA-N 0 1 406.515 4.027 20 0 HIADMN CCc1nc([C@H](C)NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)n[nH]1 ZINC000477335929 892304529 /nfs/dbraw/zinc/30/45/29/892304529.db2.gz DIKNRPADTHQYSJ-NWDGAFQWSA-N 0 1 419.938 4.175 20 0 HIADMN CCOCCOCc1cccc(NS(=O)(=O)c2c(C)ccc3cccnc32)c1C ZINC000477338711 892307127 /nfs/dbraw/zinc/30/71/27/892307127.db2.gz FGWJEGAIDAQNHL-UHFFFAOYSA-N 0 1 414.527 4.206 20 0 HIADMN NC(=O)c1ccccc1Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000477347359 892314666 /nfs/dbraw/zinc/31/46/66/892314666.db2.gz GJINJWCNYZXCNY-UHFFFAOYSA-N 0 1 416.412 4.359 20 0 HIADMN CC(C)c1c(C(=O)NCc2ccc(CN(C)C)c(F)c2)cnn1-c1ccc(F)cc1 ZINC000477411245 892364281 /nfs/dbraw/zinc/36/42/81/892364281.db2.gz KOTMNUSRLSPOFJ-UHFFFAOYSA-N 0 1 412.484 4.266 20 0 HIADMN COc1ccc2c(c1)CCCN2C(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477410585 892365018 /nfs/dbraw/zinc/36/50/18/892365018.db2.gz BNOVMJJWTOBSNI-UHFFFAOYSA-N 0 1 404.432 4.272 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000477443328 892393300 /nfs/dbraw/zinc/39/33/00/892393300.db2.gz BMDCKXCUIDEXLZ-PZJWPPBQSA-N 0 1 419.529 4.081 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)N[C@@H]3CCCC[C@H]3Cc3ccccc3)n[nH]2)cc1 ZINC000477443328 892393321 /nfs/dbraw/zinc/39/33/21/892393321.db2.gz BMDCKXCUIDEXLZ-PZJWPPBQSA-N 0 1 419.529 4.081 20 0 HIADMN CSCCCCCNC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000477457100 892416595 /nfs/dbraw/zinc/41/65/95/892416595.db2.gz QKCNJIRNQRAEKC-QGZVFWFLSA-N 0 1 403.514 4.112 20 0 HIADMN O[C@H](COc1c(Cl)cccc1Cl)CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000477487471 892482383 /nfs/dbraw/zinc/48/23/83/892482383.db2.gz UZSCQNKMSQEDKF-YOEHRIQHSA-N 0 1 410.297 4.299 20 0 HIADMN COc1ccc(OC)c([C@H](C)NC(=O)CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477489017 892488395 /nfs/dbraw/zinc/48/83/95/892488395.db2.gz XTXNSEZDHKAYNQ-AWEZNQCLSA-N 0 1 422.447 4.179 20 0 HIADMN O=C(CNC1(c2ccc(Br)cc2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000477490535 892491779 /nfs/dbraw/zinc/49/17/79/892491779.db2.gz NYMJIERDBSQLNE-UHFFFAOYSA-N 0 1 424.342 4.094 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cc(C)ccc2Br)N2CCCC2)cc1 ZINC000477502752 892508789 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COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)c2cc(C)ccc2C)N(C)C)cc1OC ZINC000480376612 895783415 /nfs/dbraw/zinc/78/34/15/895783415.db2.gz NCPVAFFCYOTMDE-WIYYLYMNSA-N 0 1 413.562 4.326 20 0 HIADMN CCN(Cc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000480380234 895786318 /nfs/dbraw/zinc/78/63/18/895786318.db2.gz WNNMSJJGBLHOFP-LJQANCHMSA-N 0 1 419.953 4.192 20 0 HIADMN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2ccc(F)cc2OC(F)F)cc1 ZINC000480425320 895820737 /nfs/dbraw/zinc/82/07/37/895820737.db2.gz DOINXEQHGCENJH-OXJNMPFZSA-N 0 1 408.464 4.460 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1 ZINC000480445994 895835259 /nfs/dbraw/zinc/83/52/59/895835259.db2.gz IVMLSUYTYHGGMU-HXUWFJFHSA-N 0 1 416.543 4.003 20 0 HIADMN COC(=O)c1csc(-c2cccc(CNCc3cc(OC)cc4c3O[C@@H](C)C4)c2)n1 ZINC000480457119 895843384 /nfs/dbraw/zinc/84/33/84/895843384.db2.gz WUOFZFHASISGPC-AWEZNQCLSA-N 0 1 424.522 4.219 20 0 HIADMN COC(=O)c1csc(-c2cccc(CNCc3ccccc3OC(F)F)c2)n1 ZINC000480467155 895849624 /nfs/dbraw/zinc/84/96/24/895849624.db2.gz IKDVWQHQXIIPBB-UHFFFAOYSA-N 0 1 404.438 4.488 20 0 HIADMN CC(C)CN1CCO[C@H](CNC(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000480478880 895857811 /nfs/dbraw/zinc/85/78/11/895857811.db2.gz GWGGJDZFFLYXFE-GDBMZVCRSA-N 0 1 402.366 4.053 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC1(c2ccccc2Cl)CC1 ZINC000480487316 895862678 /nfs/dbraw/zinc/86/26/78/895862678.db2.gz BUCVGDGKVOGTOE-UHFFFAOYSA-N 0 1 412.965 4.254 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CCC[C@@H]3Cc3cccc(F)c3)n2)cc1 ZINC000480503863 895872806 /nfs/dbraw/zinc/87/28/06/895872806.db2.gz FATXWDBOTHXDTQ-LJQANCHMSA-N 0 1 410.518 4.245 20 0 HIADMN COc1cc2c(cc1CN[C@@H](C)c1ccc(OCc3nccn3C)cc1)O[C@@H](C)C2 ZINC000480526135 895888572 /nfs/dbraw/zinc/88/85/72/895888572.db2.gz JBAYCZPYVKFWCK-IRXDYDNUSA-N 0 1 407.514 4.182 20 0 HIADMN COc1cc2c(cc1CN[C@@H](C)c1ccc(OCc3nccn3C)cc1)O[C@H](C)C2 ZINC000480526137 895888939 /nfs/dbraw/zinc/88/89/39/895888939.db2.gz JBAYCZPYVKFWCK-SJORKVTESA-N 0 1 407.514 4.182 20 0 HIADMN c1ccc(-c2nc3c(s2)[C@H](NCc2cccnc2N2CCOCC2)CCC3)cc1 ZINC000480528466 895892246 /nfs/dbraw/zinc/89/22/46/895892246.db2.gz RKILYELHMRPXOE-LJQANCHMSA-N 0 1 406.555 4.209 20 0 HIADMN C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000480536478 895899508 /nfs/dbraw/zinc/89/95/08/895899508.db2.gz OBXNGFUDCOIDEM-HXUWFJFHSA-N 0 1 403.526 4.348 20 0 HIADMN C[C@@H](NCc1cn2cc(Cl)ccc2n1)c1ccc(I)cc1 ZINC000480547647 895909380 /nfs/dbraw/zinc/90/93/80/895909380.db2.gz CLXYWOQSJFRPNP-LLVKDONJSA-N 0 1 411.674 4.443 20 0 HIADMN Brc1ccc2c(c1)[C@H](NCc1ccc(N3CCCC3)nc1)CCCO2 ZINC000480561722 895922081 /nfs/dbraw/zinc/92/20/81/895922081.db2.gz WRWWOXONRSEMGV-GOSISDBHSA-N 0 1 402.336 4.448 20 0 HIADMN Cc1csc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1Cl ZINC000480565419 895926203 /nfs/dbraw/zinc/92/62/03/895926203.db2.gz WJVDMPNLTCVLGV-LBPRGKRZSA-N 0 1 400.813 4.366 20 0 HIADMN Fc1ccccc1COc1ccc(CN2CCC(OC[C@H]3CCCCO3)CC2)cn1 ZINC000480582834 895943641 /nfs/dbraw/zinc/94/36/41/895943641.db2.gz PLLVPWMJPHTFQQ-JOCHJYFZSA-N 0 1 414.521 4.350 20 0 HIADMN COC[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(C(F)(F)F)c1 ZINC000480600627 895964348 /nfs/dbraw/zinc/96/43/48/895964348.db2.gz LBLURFCKSXXVFI-GQIGUUNPSA-N 0 1 423.479 4.191 20 0 HIADMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccccc1OC(F)(F)F ZINC000480612273 895978778 /nfs/dbraw/zinc/97/87/78/895978778.db2.gz LELRBXMFGZJOBK-OWCLPIDISA-N 0 1 409.452 4.445 20 0 HIADMN C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc(Cl)c1Cl ZINC000480616912 895983763 /nfs/dbraw/zinc/98/37/63/895983763.db2.gz NCVHNAVLLGMBKO-HNNXBMFYSA-N 0 1 406.357 4.232 20 0 HIADMN CC[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccccc1Br ZINC000480629698 895997129 /nfs/dbraw/zinc/99/71/29/895997129.db2.gz FQJYNHJJTXCMJX-HNAYVOBHSA-N 0 1 404.352 4.310 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc(OC)c1OC ZINC000480631137 896000588 /nfs/dbraw/zinc/00/05/88/896000588.db2.gz NDHRJHXHWXFXED-KBPBESRZSA-N 0 1 416.909 4.358 20 0 HIADMN O=S(=O)(CCCNCc1ccc(-c2cccc(F)c2F)o1)Cc1ccccc1 ZINC000480638439 896009386 /nfs/dbraw/zinc/00/93/86/896009386.db2.gz QZUFYMKERBQUGF-UHFFFAOYSA-N 0 1 405.466 4.320 20 0 HIADMN CN1CCC(N(c2cccc(F)c2)S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000480641139 896010432 /nfs/dbraw/zinc/01/04/32/896010432.db2.gz IVXXKRZISSIEKF-UHFFFAOYSA-N 0 1 414.905 4.049 20 0 HIADMN COc1ccc([C@@H](C)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O ZINC000480648146 896016492 /nfs/dbraw/zinc/01/64/92/896016492.db2.gz XPYYZDPWRNWNGG-ZIAGYGMSSA-N 0 1 402.491 4.091 20 0 HIADMN COCCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1 ZINC000480687390 896050998 /nfs/dbraw/zinc/05/09/98/896050998.db2.gz GTFZNMJFKLDSMR-HNAYVOBHSA-N 0 1 422.447 4.187 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000480697137 896058259 /nfs/dbraw/zinc/05/82/59/896058259.db2.gz KQKYQRHTKXZYBG-SJORKVTESA-N 0 1 422.978 4.126 20 0 HIADMN CN(CCCN(C)C(=O)Nc1ccccc1C(=O)OC(C)(C)C)Cc1ccco1 ZINC000480746748 896110018 /nfs/dbraw/zinc/11/00/18/896110018.db2.gz HDWZXJCORGJVCS-UHFFFAOYSA-N 0 1 401.507 4.221 20 0 HIADMN CC[C@@H](NCCCS(=O)(=O)Cc1ccccc1)c1ccccc1Br ZINC000480893144 896251095 /nfs/dbraw/zinc/25/10/95/896251095.db2.gz BMNLFQCRACAZGH-LJQANCHMSA-N 0 1 410.377 4.495 20 0 HIADMN CN(C)C(=O)C[C@H](NCc1ccc(OCc2ccccc2F)nc1)c1ccccc1 ZINC000480895331 896252822 /nfs/dbraw/zinc/25/28/22/896252822.db2.gz HJYCCTLLSVEDFA-QFIPXVFZSA-N 0 1 407.489 4.109 20 0 HIADMN Cc1cccc(CN(Cc2cccc(C)n2)CC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000480902541 896260363 /nfs/dbraw/zinc/26/03/63/896260363.db2.gz TULKPACZCKIHCT-UHFFFAOYSA-N 0 1 408.590 4.380 20 0 HIADMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)cn1 ZINC000480910945 896268480 /nfs/dbraw/zinc/26/84/80/896268480.db2.gz PWTDVYHSZFWESN-SFHVURJKSA-N 0 1 415.603 4.495 20 0 HIADMN CCN(C[C@@H]1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1)CC(F)(F)F ZINC000480912540 896270093 /nfs/dbraw/zinc/27/00/93/896270093.db2.gz VIHBHTQIRLGUAM-NSHDSACASA-N 0 1 419.398 4.239 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000480914672 896273657 /nfs/dbraw/zinc/27/36/57/896273657.db2.gz VAVVXEUMONVGFW-QFIPXVFZSA-N 0 1 408.933 4.033 20 0 HIADMN CCS[C@@H]1CCCCN(CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000480947856 896292707 /nfs/dbraw/zinc/29/27/07/896292707.db2.gz AQOOHIHCJNRTRE-OAHLLOKOSA-N 0 1 417.497 4.210 20 0 HIADMN C[C@H](CCOCc1ccccc1)NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000481061950 896384165 /nfs/dbraw/zinc/38/41/65/896384165.db2.gz SGVLHCPTQAJWMH-LJQANCHMSA-N 0 1 413.537 4.085 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(C)cc3OC[C@H]3CCCO3)[nH]n2)c1 ZINC000481152805 896485278 /nfs/dbraw/zinc/48/52/78/896485278.db2.gz WIXIDUUGAPDLHS-GOSISDBHSA-N 0 1 407.470 4.204 20 0 HIADMN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000481198901 896552706 /nfs/dbraw/zinc/55/27/06/896552706.db2.gz DGUBOCHGKNRVQM-QGZVFWFLSA-N 0 1 424.463 4.147 20 0 HIADMN CC[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000505412801 914077488 /nfs/dbraw/zinc/07/74/88/914077488.db2.gz CUYAZTJBHOHKBO-IBGZPJMESA-N 0 1 419.367 4.205 20 0 HIADMN Clc1cccc2c1SCC[C@@H]2NCc1ccccc1OCCN1CCOCC1 ZINC000481207700 896560226 /nfs/dbraw/zinc/56/02/26/896560226.db2.gz WKHTUWYZONBSAS-FQEVSTJZSA-N 0 1 418.990 4.378 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)[nH]n2)c1 ZINC000481223387 896574740 /nfs/dbraw/zinc/57/47/40/896574740.db2.gz CKOLTZWVNLPGRJ-UHFFFAOYSA-N 0 1 406.486 4.032 20 0 HIADMN Cc1onc(-c2ccccn2)c1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000481240345 896590293 /nfs/dbraw/zinc/59/02/93/896590293.db2.gz HXCNYGVJUKAOGN-UHFFFAOYSA-N 0 1 408.527 4.155 20 0 HIADMN COc1ccc(C2(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)CCCC2)cc1 ZINC000481283462 896630408 /nfs/dbraw/zinc/63/04/08/896630408.db2.gz HLPIJONPUSUXKD-UHFFFAOYSA-N 0 1 422.554 4.467 20 0 HIADMN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000481289219 896635173 /nfs/dbraw/zinc/63/51/73/896635173.db2.gz RGDCEAMCYVRIIQ-JOCHJYFZSA-N 0 1 415.497 4.432 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(N3CCc4ccccc4C3)nc2)c1 ZINC000481298683 896643945 /nfs/dbraw/zinc/64/39/45/896643945.db2.gz ISAYTNBVYBRHMF-GOSISDBHSA-N 0 1 400.526 4.454 20 0 HIADMN CCOc1ccccc1[C@@H](C)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000481301798 896647368 /nfs/dbraw/zinc/64/73/68/896647368.db2.gz AARLNRFLJQHUOU-RBUKOAKNSA-N 0 1 416.587 4.357 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000481302987 896649173 /nfs/dbraw/zinc/64/91/73/896649173.db2.gz FKWFTNZLJXHUFW-UHFFFAOYSA-N 0 1 418.428 4.280 20 0 HIADMN C[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1cc(Cl)ccc1OC(F)F ZINC000481307480 896655095 /nfs/dbraw/zinc/65/50/95/896655095.db2.gz DCZDYWRTHNBXIS-CYBMUJFWSA-N 0 1 412.864 4.259 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000481309618 896656588 /nfs/dbraw/zinc/65/65/88/896656588.db2.gz HZAWYMLAXFBBAQ-IAGOWNOFSA-N 0 1 420.513 4.292 20 0 HIADMN COc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(F)c1 ZINC000481323855 896678185 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CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000511450008 920058865 /nfs/dbraw/zinc/05/88/65/920058865.db2.gz QHIYZOCTEOXRAX-KRWDZBQOSA-N 0 1 414.509 4.479 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)Nc3ccccc3OCC(C)C)CC2)cc1 ZINC000511475638 920083831 /nfs/dbraw/zinc/08/38/31/920083831.db2.gz LJJVGBXSCUADDH-UHFFFAOYSA-N 0 1 411.546 4.470 20 0 HIADMN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)c1C(C)C ZINC000511489260 920098220 /nfs/dbraw/zinc/09/82/20/920098220.db2.gz JGLREEIUNPBORZ-KRWDZBQOSA-N 0 1 401.576 4.353 20 0 HIADMN O=C(c1ccc(OCc2ccccc2)nc1)N1CCCN(Cc2ccccc2)CC1 ZINC000511491046 920099498 /nfs/dbraw/zinc/09/94/98/920099498.db2.gz NTIFSNCDKABJHN-UHFFFAOYSA-N 0 1 401.510 4.009 20 0 HIADMN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)c(F)c1 ZINC000511501283 920115724 /nfs/dbraw/zinc/11/57/24/920115724.db2.gz ZDQTUBBHKPGMKY-AVGNSLFASA-N 0 1 404.511 4.107 20 0 HIADMN O=C(Nc1nc2c(cccc2Cl)n1CC(F)(F)F)c1cc(-c2ccco2)n[nH]1 ZINC000511543151 920167266 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CC[C@H](c1cccc(OC)c1)N(C)C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000511691352 920354772 /nfs/dbraw/zinc/35/47/72/920354772.db2.gz LISHAEVCTWUURS-QGZVFWFLSA-N 0 1 416.428 4.057 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1c(C)nn2c1nc(C)cc2C)c1ccccc1Cl ZINC000511745729 920422687 /nfs/dbraw/zinc/42/26/87/920422687.db2.gz VKHNOGUVFVOZIS-LJQANCHMSA-N 0 1 413.953 4.121 20 0 HIADMN COc1ccc(CN2CCC(NC(=O)NC3CCCCC3)CC2)cc1OCC(C)C ZINC000511748781 920425994 /nfs/dbraw/zinc/42/59/94/920425994.db2.gz UCWXUOBLZADACY-UHFFFAOYSA-N 0 1 417.594 4.326 20 0 HIADMN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CC(=O)c2ccccc21 ZINC000511750158 920428619 /nfs/dbraw/zinc/42/86/19/920428619.db2.gz AEPMNIWLCKOVFJ-DSNGMDLFSA-N 0 1 410.517 4.141 20 0 HIADMN COCC[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000511775380 920463975 /nfs/dbraw/zinc/46/39/75/920463975.db2.gz YSUCMILMVURIPX-SNRMKQJTSA-N 0 1 413.965 4.222 20 0 HIADMN O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccc(-c2nnc[nH]2)c1 ZINC000511777997 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CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000539243842 938824567 /nfs/dbraw/zinc/82/45/67/938824567.db2.gz LSPLHOGZBIJZFO-KKSFZXQISA-N 0 1 400.494 4.247 20 0 HIADMN COc1ccc([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000539244732 938824831 /nfs/dbraw/zinc/82/48/31/938824831.db2.gz WQOQLIVPUWXTFY-OLZOCXBDSA-N 0 1 414.399 4.261 20 0 HIADMN C[C@@H](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1ccccc1OC(F)F ZINC000539245252 938824928 /nfs/dbraw/zinc/82/49/28/938824928.db2.gz BGGMLMFTYMZFBW-GFCCVEGCSA-N 0 1 418.362 4.154 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1OC(F)F ZINC000539246814 938825270 /nfs/dbraw/zinc/82/52/70/938825270.db2.gz QXMTZODEMMAKIE-CABCVRRESA-N 0 1 417.456 4.093 20 0 HIADMN C[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1OC(F)F ZINC000539248341 938825568 /nfs/dbraw/zinc/82/55/68/938825568.db2.gz UGAAXADGQRVDLF-LBPRGKRZSA-N 0 1 400.828 4.390 20 0 HIADMN CCN(C[C@H]1CCN([C@H](C)c2nc3sc(C)c(C)c3c(N)n2)C1)CC(F)(F)F ZINC000539250252 938825729 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ZINC000539745980 938919175 /nfs/dbraw/zinc/91/91/75/938919175.db2.gz LTLSPZFBRFUHJB-DOTOQJQBSA-N 0 1 415.563 4.180 20 0 HIADMN O=C(c1cnc(-c2ccncc2)s1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539751965 938920823 /nfs/dbraw/zinc/92/08/23/938920823.db2.gz NINLHXNOYXPHIR-KRWDZBQOSA-N 0 1 416.510 4.010 20 0 HIADMN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539753292 938921435 /nfs/dbraw/zinc/92/14/35/938921435.db2.gz NVHMRLSNNMISOJ-GOSISDBHSA-N 0 1 414.513 4.077 20 0 HIADMN Cc1nc(CCCC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cs1 ZINC000539752331 938921619 /nfs/dbraw/zinc/92/16/19/938921619.db2.gz POCWPBJOFRPVQO-KRWDZBQOSA-N 0 1 401.580 4.346 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CCc4ccc(F)cc43)CCN2C2CC2)c1 ZINC000539803595 938938248 /nfs/dbraw/zinc/93/82/48/938938248.db2.gz XIWORJDVCYDKQK-DNVJHFABSA-N 0 1 409.505 4.099 20 0 HIADMN CN(Cc1cnn(-c2ccc(Br)cc2)c1)[C@H](CCO)c1ccccc1 ZINC000539827665 938948586 /nfs/dbraw/zinc/94/85/86/938948586.db2.gz QDDHGAXQSYRYQH-HXUWFJFHSA-N 0 1 400.320 4.190 20 0 HIADMN COc1cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1OCc1cccs1 ZINC000539832911 938951944 /nfs/dbraw/zinc/95/19/44/938951944.db2.gz BYAKQONTGITQFM-QAPCUYQASA-N 0 1 401.450 4.223 20 0 HIADMN COc1cc(OC)cc(Oc2ccc(CN3CCC[C@H](N4CCCC4=O)C3)cc2)c1 ZINC000539834995 938952320 /nfs/dbraw/zinc/95/23/20/938952320.db2.gz GKVPUXSFTDRCNN-IBGZPJMESA-N 0 1 410.514 4.083 20 0 HIADMN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000539840393 938954416 /nfs/dbraw/zinc/95/44/16/938954416.db2.gz OUKJRBVIVCRMNW-UHFFFAOYSA-N 0 1 420.557 4.152 20 0 HIADMN COc1ccc(CCN(Cc2ccsc2)Cc2cc(C(N)=O)cs2)cc1OC ZINC000539852253 938958528 /nfs/dbraw/zinc/95/85/28/938958528.db2.gz JGVJNAUCDWSFOR-UHFFFAOYSA-N 0 1 416.568 4.171 20 0 HIADMN COc1cccc(OC)c1Oc1ccc(CNCc2cn(C)nc2C(C)(C)C)cn1 ZINC000539860948 938959771 /nfs/dbraw/zinc/95/97/71/938959771.db2.gz RMPIQVFGWZTVOP-UHFFFAOYSA-N 0 1 410.518 4.212 20 0 HIADMN O=C(C[C@H]1CCCCCN1C(=O)c1cccc(Br)c1O)c1ccco1 ZINC000539881508 938964901 /nfs/dbraw/zinc/96/49/01/938964901.db2.gz FIGLOIZSKUHICA-CYBMUJFWSA-N 0 1 406.276 4.406 20 0 HIADMN COc1ccccc1COC1CCN([C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000539888736 938966748 /nfs/dbraw/zinc/96/67/48/938966748.db2.gz XKPSRTHXPMUGQX-SFHVURJKSA-N 0 1 419.525 4.252 20 0 HIADMN Brc1ccc(OCc2ccccn2)c(CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000539890783 938967736 /nfs/dbraw/zinc/96/77/36/938967736.db2.gz GGMZGSNNWHGUSJ-JXFKEZNVSA-N 0 1 417.347 4.424 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H]1COc2ccccc2C1 ZINC000539892570 938969402 /nfs/dbraw/zinc/96/94/02/938969402.db2.gz LQJBOMOWBURCIF-LLVKDONJSA-N 0 1 411.330 4.407 20 0 HIADMN COc1cc(CN2CCC[C@@H]3COCC[C@H]32)cc(Br)c1OC(F)F ZINC000539892673 938969431 /nfs/dbraw/zinc/96/94/31/938969431.db2.gz FULBEWUXBYAGSQ-TZMCWYRMSA-N 0 1 406.267 4.060 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ncn(-c2ccccc2)n1 ZINC000539893122 938969590 /nfs/dbraw/zinc/96/95/90/938969590.db2.gz VZEVLWPKXHGBJY-UHFFFAOYSA-N 0 1 422.317 4.050 20 0 HIADMN CCOCCOc1ccc(Br)cc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000539900443 938972973 /nfs/dbraw/zinc/97/29/73/938972973.db2.gz SEGHTSBKSOPACC-IRXDYDNUSA-N 0 1 412.368 4.113 20 0 HIADMN CCOCCOc1ccc(Br)cc1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000539900444 938973058 /nfs/dbraw/zinc/97/30/58/938973058.db2.gz SEGHTSBKSOPACC-SJORKVTESA-N 0 1 412.368 4.113 20 0 HIADMN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc(OC(C)C)cc3)CC2)cs1 ZINC000539913042 938977338 /nfs/dbraw/zinc/97/73/38/938977338.db2.gz HPJXWUXGXBQWSO-SFHVURJKSA-N 0 1 403.592 4.346 20 0 HIADMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(C)ccc2-n2cc(C)cn2)c1 ZINC000563577164 945222519 /nfs/dbraw/zinc/22/25/19/945222519.db2.gz BSZPLYXCEWIJGW-UHFFFAOYSA-N 0 1 405.907 4.090 20 0 HIADMN COC(=O)c1c(CN(C)CCc2cnccn2)nc2ccccc2c1-c1ccccc1 ZINC000540045470 939048679 /nfs/dbraw/zinc/04/86/79/939048679.db2.gz ILDLNQHRWZMGCC-UHFFFAOYSA-N 0 1 412.493 4.153 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cn(C)nc1-c1ccccc1 ZINC000540068319 939057462 /nfs/dbraw/zinc/05/74/62/939057462.db2.gz JLRCSNBSDAPNBS-UHFFFAOYSA-N 0 1 406.555 4.197 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1c(F)cccc1F ZINC000540082054 939062860 /nfs/dbraw/zinc/06/28/60/939062860.db2.gz YGRSOEOTXANNGZ-OAHLLOKOSA-N 0 1 409.387 4.203 20 0 HIADMN O=C(NCc1nnc(-c2ccccc2)s1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000540083226 939063734 /nfs/dbraw/zinc/06/37/34/939063734.db2.gz VOFDNXDAQZTKPC-UHFFFAOYSA-N 0 1 400.414 4.341 20 0 HIADMN COC(=O)[C@@H](C)[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000540083315 939064333 /nfs/dbraw/zinc/06/43/33/939064333.db2.gz YAHXMWXNQJAERK-ZBEGNZNMSA-N 0 1 402.401 4.172 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)Nc2cn(CC(C)C)nc2C(F)F)N2CCCC2)o1 ZINC000540113651 939077546 /nfs/dbraw/zinc/07/75/46/939077546.db2.gz AMGMLMPRTUWYCN-MRXNPFEDSA-N 0 1 409.481 4.337 20 0 HIADMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000540140454 939088141 /nfs/dbraw/zinc/08/81/41/939088141.db2.gz QJARDWSAXCSGFA-GOEBONIOSA-N 0 1 401.450 4.488 20 0 HIADMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(OC(F)F)c(OC)c1 ZINC000540140886 939088877 /nfs/dbraw/zinc/08/88/77/939088877.db2.gz ACSFJTORYMRPER-ZBFHGGJFSA-N 0 1 413.486 4.200 20 0 HIADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000540143374 939089378 /nfs/dbraw/zinc/08/93/78/939089378.db2.gz DYRBCCAADRBWRT-HOYKHHGWSA-N 0 1 424.566 4.352 20 0 HIADMN C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000540142586 939089491 /nfs/dbraw/zinc/08/94/91/939089491.db2.gz AWSYSYDNVOEGSD-SNVBAGLBSA-N 0 1 420.419 4.093 20 0 HIADMN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H](CO)c2ccc(Br)cc2)cc1 ZINC000540144461 939089760 /nfs/dbraw/zinc/08/97/60/939089760.db2.gz MFUCKEOBXMIAET-IFXJQAMLSA-N 0 1 420.351 4.363 20 0 HIADMN Cc1c([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)cnn1-c1cccc(Cl)c1 ZINC000540151873 939092584 /nfs/dbraw/zinc/09/25/84/939092584.db2.gz BYIZPQPJOOUBKO-SJCJKPOMSA-N 0 1 414.859 4.038 20 0 HIADMN Cc1c([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cnn1-c1cccc(Cl)c1 ZINC000540151875 939092838 /nfs/dbraw/zinc/09/28/38/939092838.db2.gz BYIZPQPJOOUBKO-YVEFUNNKSA-N 0 1 414.859 4.038 20 0 HIADMN Cc1nc(-c2cc([C@@H](C)NCCS(=O)(=O)c3ccc(F)cc3)cs2)cs1 ZINC000540157571 939094756 /nfs/dbraw/zinc/09/47/56/939094756.db2.gz OPUJUCZHGVOORI-GFCCVEGCSA-N 0 1 410.561 4.444 20 0 HIADMN C[C@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccccc1N(C)C ZINC000540158830 939095314 /nfs/dbraw/zinc/09/53/14/939095314.db2.gz PLIICWUKDUIQPC-INIZCTEOSA-N 0 1 418.379 4.203 20 0 HIADMN Cc1ccc([C@H](NC(=O)CN(Cc2ccc(F)cc2)C2CCOCC2)C2CC2)cc1 ZINC000563630485 945226949 /nfs/dbraw/zinc/22/69/49/945226949.db2.gz NFTKLYWFTQCSMS-VWLOTQADSA-N 0 1 410.533 4.383 20 0 HIADMN CCc1nc([C@@H](C)N[C@@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)n[nH]1 ZINC000540161058 939096851 /nfs/dbraw/zinc/09/68/51/939096851.db2.gz NVDSFPOGZNZGJA-GXTWGEPZSA-N 0 1 415.563 4.152 20 0 HIADMN COc1cc([C@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1OC(F)F ZINC000540167636 939099899 /nfs/dbraw/zinc/09/98/99/939099899.db2.gz NQIRBYFNHBEHHU-VIFPVBQESA-N 0 1 404.335 4.003 20 0 HIADMN CS(=O)(=O)Nc1cccc(CN[C@H]2CCCOc3c(Cl)c(Cl)ccc32)c1 ZINC000540176017 939105377 /nfs/dbraw/zinc/10/53/77/939105377.db2.gz OFYHDCKPIBUMEY-INIZCTEOSA-N 0 1 415.342 4.368 20 0 HIADMN C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc2ccccc2c1OC(F)F ZINC000540186714 939111671 /nfs/dbraw/zinc/11/16/71/939111671.db2.gz JVZHDBAEWKTTLV-KSSFIOAISA-N 0 1 414.456 4.021 20 0 HIADMN CC[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1F ZINC000540190323 939114819 /nfs/dbraw/zinc/11/48/19/939114819.db2.gz GNZRFNZQOZKJCJ-ZMPRRUGASA-N 0 1 402.485 4.455 20 0 HIADMN C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc2ccccc2n1 ZINC000540189910 939114831 /nfs/dbraw/zinc/11/48/31/939114831.db2.gz RGVRRTNSWQBQJU-QRVBRYPASA-N 0 1 403.526 4.335 20 0 HIADMN COc1cc(OC)c([C@@H](C)NCc2ccc(Cn3ccccc3=O)cc2)cc1Cl ZINC000540190361 939114877 /nfs/dbraw/zinc/11/48/77/939114877.db2.gz IFSUJWMUCLNVEC-MRXNPFEDSA-N 0 1 412.917 4.418 20 0 HIADMN CCNC(=O)c1cccc(CN[C@@H]2CCCOc3ccc(Br)cc32)c1 ZINC000540191350 939116192 /nfs/dbraw/zinc/11/61/92/939116192.db2.gz PTSRDYFHYIUDCT-GOSISDBHSA-N 0 1 403.320 4.202 20 0 HIADMN Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)ccc12 ZINC000563639459 945228869 /nfs/dbraw/zinc/22/88/69/945228869.db2.gz AHSUDWVIBSZGSP-UHFFFAOYSA-N 0 1 424.457 4.064 20 0 HIADMN CCCN(C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CCc2ccccc21 ZINC000540276664 939180769 /nfs/dbraw/zinc/18/07/69/939180769.db2.gz PMNWUYHYILVFIQ-SFHVURJKSA-N 0 1 412.440 4.365 20 0 HIADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)N[C@@H](C)c1nc2ccccc2n1C ZINC000540301677 939187201 /nfs/dbraw/zinc/18/72/01/939187201.db2.gz NDYUARYXRKYLMU-ROUUACIJSA-N 0 1 405.546 4.241 20 0 HIADMN CCc1ccc(C(C)(C)CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000540300398 939187247 /nfs/dbraw/zinc/18/72/47/939187247.db2.gz DJCJZTNLEUSBFN-UHFFFAOYSA-N 0 1 414.456 4.095 20 0 HIADMN C[C@H](N[C@@H](c1ccccc1)c1cccc(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000540315917 939191169 /nfs/dbraw/zinc/19/11/69/939191169.db2.gz OHNZFYAQSGCBSZ-BTYIYWSLSA-N 0 1 400.931 4.428 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@H](C)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000540315153 939191270 /nfs/dbraw/zinc/19/12/70/939191270.db2.gz DEODIYHALPLJKJ-KBPBESRZSA-N 0 1 401.557 4.178 20 0 HIADMN COc1cc(C)c([C@H](C)NC(=O)CN[C@H](C)c2cccc(OC(C)C)c2)cc1OC ZINC000540323675 939194212 /nfs/dbraw/zinc/19/42/12/939194212.db2.gz ANWUYYKLQWRIOI-MSOLQXFVSA-N 0 1 414.546 4.327 20 0 HIADMN CC(=O)c1cccc(NC(=O)CN[C@@H](C)c2ccc(OCc3cccnc3)cc2)c1 ZINC000540327032 939195935 /nfs/dbraw/zinc/19/59/35/939195935.db2.gz OPKIBJRMHHDRMN-KRWDZBQOSA-N 0 1 403.482 4.153 20 0 HIADMN CCc1nc(NC(=O)CN[C@H](C)c2ccc(OCc3cccnc3)cc2)sc1C ZINC000540327499 939196338 /nfs/dbraw/zinc/19/63/38/939196338.db2.gz ZKWFEBTUSXFQIK-OAHLLOKOSA-N 0 1 410.543 4.277 20 0 HIADMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1F ZINC000540342106 939200684 /nfs/dbraw/zinc/20/06/84/939200684.db2.gz CIPXYKIVCQMAPT-SNVBAGLBSA-N 0 1 410.371 4.019 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1OC(F)F 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402.498 4.186 20 0 HIADMN CCC(CC)n1ccc(CN[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)n1 ZINC000540408129 939237507 /nfs/dbraw/zinc/23/75/07/939237507.db2.gz QIKJJQWYAGELRL-SFHVURJKSA-N 0 1 401.574 4.376 20 0 HIADMN CCc1ccc([C@H](C)NC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCCC3=O)c2)cc1 ZINC000540408352 939237954 /nfs/dbraw/zinc/23/79/54/939237954.db2.gz SLWMQHLGGBMYNQ-FHWLQOOXSA-N 0 1 407.558 4.292 20 0 HIADMN CC(C)(NCC(=O)Nc1c(F)cc(F)cc1Br)c1cccc(F)c1 ZINC000540415407 939240068 /nfs/dbraw/zinc/24/00/68/939240068.db2.gz WSYCZIQAKHDVIQ-UHFFFAOYSA-N 0 1 401.226 4.330 20 0 HIADMN CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000540418193 939241231 /nfs/dbraw/zinc/24/12/31/939241231.db2.gz ZZHYXMJEZFMIND-FQEVSTJZSA-N 0 1 422.978 4.171 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)Nc3cccc(Cl)c3C)ccc2NC1=O ZINC000540458409 939259819 /nfs/dbraw/zinc/25/98/19/939259819.db2.gz QEIJTGVYJYSNNA-ACJLOTCBSA-N 0 1 401.894 4.047 20 0 HIADMN C[C@H](NCC(=O)NCCc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F ZINC000540458560 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Cc1ccccc1NC(=O)C[C@H](C)N[C@H](CCO)c1ccccc1Br ZINC000540987608 939425725 /nfs/dbraw/zinc/42/57/25/939425725.db2.gz UJLXONJNPKKLPZ-HNAYVOBHSA-N 0 1 405.336 4.188 20 0 HIADMN Cc1cccc(NC(=O)C[C@H](C)N[C@@H](CCO)c2ccccc2Br)c1 ZINC000540990125 939426405 /nfs/dbraw/zinc/42/64/05/939426405.db2.gz ITYOLXBYIIHRRG-KXBFYZLASA-N 0 1 405.336 4.188 20 0 HIADMN CCN1CC[C@@H](NCc2nc3ccccc3n2CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541065176 939447016 /nfs/dbraw/zinc/44/70/16/939447016.db2.gz OAFHVRVZRLXTPC-GCJKJVERSA-N 0 1 402.464 4.399 20 0 HIADMN CCN1CC[C@@H](NCc2nc3ccccc3n2CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541065178 939447052 /nfs/dbraw/zinc/44/70/52/939447052.db2.gz OAFHVRVZRLXTPC-XMSQKQJNSA-N 0 1 402.464 4.399 20 0 HIADMN CN1CC[C@@H](CNC(=O)Nc2cccc3c2OCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541102694 939461029 /nfs/dbraw/zinc/46/10/29/939461029.db2.gz MVWXIWKYBRHDFP-UGSOOPFHSA-N 0 1 405.857 4.022 20 0 HIADMN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000541122079 939468666 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CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000541300484 939490067 /nfs/dbraw/zinc/49/00/67/939490067.db2.gz UEQUFXMSKCVLFK-VXNXHJTFSA-N 0 1 404.554 4.396 20 0 HIADMN NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NCc1ccc(Oc2ccccc2)nc1 ZINC000541307881 939490472 /nfs/dbraw/zinc/49/04/72/939490472.db2.gz VMUZEFCMTPPSNA-IBGZPJMESA-N 0 1 415.415 4.079 20 0 HIADMN Cc1ccc(-c2nn(-c3ccccc3)cc2CNC[C@H]2CCCCS2(=O)=O)c(C)c1 ZINC000541384818 939502544 /nfs/dbraw/zinc/50/25/44/939502544.db2.gz XVXJGMFIRUBNLR-JOCHJYFZSA-N 0 1 423.582 4.213 20 0 HIADMN C[C@H](CNC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccc(F)cc1 ZINC000541440305 939516423 /nfs/dbraw/zinc/51/64/23/939516423.db2.gz PNFBWAAYWLDFNM-VQIMIIECSA-N 0 1 407.493 4.304 20 0 HIADMN O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000541449481 939519355 /nfs/dbraw/zinc/51/93/55/939519355.db2.gz GXSAVPNOFMLBBX-IBGZPJMESA-N 0 1 420.561 4.465 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1 ZINC000541544033 939549269 /nfs/dbraw/zinc/54/92/69/939549269.db2.gz QAKQJHUOABIFRH-GOSISDBHSA-N 0 1 411.387 4.134 20 0 HIADMN COc1ccccc1[C@@H](C)CC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000541547475 939550943 /nfs/dbraw/zinc/55/09/43/939550943.db2.gz XRGDXQKONIYTCR-ORAYPTAESA-N 0 1 418.419 4.232 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000541546904 939551048 /nfs/dbraw/zinc/55/10/48/939551048.db2.gz KSXZPAZISAVPGF-GDZNZVCISA-N 0 1 422.357 4.111 20 0 HIADMN O=C(NC1CCCCC1)N1CCC(N[C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541563862 939556154 /nfs/dbraw/zinc/55/61/54/939556154.db2.gz NZGWXNDSLPWQLJ-HSZRJFAPSA-N 0 1 410.537 4.406 20 0 HIADMN COC[C@@H](Cc1ccccc1)N[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000541587657 939561163 /nfs/dbraw/zinc/56/11/63/939561163.db2.gz QRSVTKBZNJPONH-ILBGXUMGSA-N 0 1 423.578 4.335 20 0 HIADMN Cc1ccc(C(=O)C2CCN(C[C@H](O)COc3cc(C)ccc3Cl)CC2)cc1 ZINC000541590083 939561845 /nfs/dbraw/zinc/56/18/45/939561845.db2.gz ZEJRAYYEBDDFNR-FQEVSTJZSA-N 0 1 401.934 4.291 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000541599760 939563805 /nfs/dbraw/zinc/56/38/05/939563805.db2.gz PCUUNVXGNKJNSE-IJEWVQPXSA-N 0 1 410.484 4.021 20 0 HIADMN COC(=O)C[C@H](NCc1csc(-c2cccc(OC)c2OC)n1)C1CCCCC1 ZINC000541601822 939565229 /nfs/dbraw/zinc/56/52/29/939565229.db2.gz QRYOUTITZNHUKO-SFHVURJKSA-N 0 1 418.559 4.429 20 0 HIADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000541600945 939565438 /nfs/dbraw/zinc/56/54/38/939565438.db2.gz FIJSOMACYQAFHQ-GDBMZVCRSA-N 0 1 410.484 4.150 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)Nc1ccc(Cl)cc1C ZINC000541603597 939566730 /nfs/dbraw/zinc/56/67/30/939566730.db2.gz QYCCEURWWWAQMX-NSHDSACASA-N 0 1 402.848 4.313 20 0 HIADMN Cc1c([C@H](C)NCC(=O)N(CC(C)C)CC(F)(F)F)cnn1-c1ccc(F)cc1 ZINC000541611938 939570063 /nfs/dbraw/zinc/57/00/63/939570063.db2.gz TVSAFXYCIFLPDB-AWEZNQCLSA-N 0 1 414.447 4.017 20 0 HIADMN Cc1c([C@@H](C)NCC(=O)NC23CC4CC(CC(C4)C2)C3)cnn1-c1ccc(F)cc1 ZINC000541613731 939570556 /nfs/dbraw/zinc/57/05/56/939570556.db2.gz GWTWDOBGSOTMHB-SZMHJPNOSA-N 0 1 410.537 4.055 20 0 HIADMN CC[C@H](NCCCCN1C(=O)c2ccccc2C1=O)c1nc(C(F)(F)F)cs1 ZINC000541635526 939579071 /nfs/dbraw/zinc/57/90/71/939579071.db2.gz FIHDWSOAKLCLRW-AWEZNQCLSA-N 0 1 411.449 4.279 20 0 HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)NC3CCC(C)CC3)s2)cc1 ZINC000541639622 939581360 /nfs/dbraw/zinc/58/13/60/939581360.db2.gz GRUGLPJISHJCKX-SWKXRBFHSA-N 0 1 401.576 4.473 20 0 HIADMN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)n1 ZINC000541727498 939615483 /nfs/dbraw/zinc/61/54/83/939615483.db2.gz SQVNHJGHDWEZSZ-GJZGRUSLSA-N 0 1 409.456 4.064 20 0 HIADMN FC(F)(F)c1cnc(NCCN[C@@H](c2ccccc2)c2cncnc2)c(Cl)c1 ZINC000541734020 939616674 /nfs/dbraw/zinc/61/66/74/939616674.db2.gz LGQQNPVRLIPPPP-KRWDZBQOSA-N 0 1 407.827 4.335 20 0 HIADMN CCN(CC)c1ccc(CN[C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000541735923 939617136 /nfs/dbraw/zinc/61/71/36/939617136.db2.gz JYGQMLCIQJIBOU-YADHBBJMSA-N 0 1 415.603 4.111 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(COCc3ccco3)c2)cc1 ZINC000541746086 939619389 /nfs/dbraw/zinc/61/93/89/939619389.db2.gz UNSVDLAXNRZANA-LJQANCHMSA-N 0 1 413.539 4.257 20 0 HIADMN O=C(c1cccc2[nH]c(-c3cccs3)nc21)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000541843732 939646149 /nfs/dbraw/zinc/64/61/49/939646149.db2.gz APDPHTKFQWFJKZ-UHFFFAOYSA-N 0 1 422.554 4.156 20 0 HIADMN O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000541883672 939648977 /nfs/dbraw/zinc/64/89/77/939648977.db2.gz NMYUDTIPZADADW-GOSISDBHSA-N 0 1 414.469 4.173 20 0 HIADMN O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000541883672 939648981 /nfs/dbraw/zinc/64/89/81/939648981.db2.gz NMYUDTIPZADADW-GOSISDBHSA-N 0 1 414.469 4.173 20 0 HIADMN O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000541883673 939649109 /nfs/dbraw/zinc/64/91/09/939649109.db2.gz NMYUDTIPZADADW-SFHVURJKSA-N 0 1 414.469 4.173 20 0 HIADMN O=C(NCc1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000541883673 939649111 /nfs/dbraw/zinc/64/91/11/939649111.db2.gz NMYUDTIPZADADW-SFHVURJKSA-N 0 1 414.469 4.173 20 0 HIADMN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(C(F)(F)F)nc1 ZINC000542007469 939683195 /nfs/dbraw/zinc/68/31/95/939683195.db2.gz YGMYAWDBVWALHP-UHFFFAOYSA-N 0 1 402.728 4.156 20 0 HIADMN Cc1ccnc(OC2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)c1 ZINC000542034413 939694052 /nfs/dbraw/zinc/69/40/52/939694052.db2.gz BEBBJOJVYOWESC-UHFFFAOYSA-N 0 1 401.417 4.279 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000542047689 939698831 /nfs/dbraw/zinc/69/88/31/939698831.db2.gz OEFGNBPDDKZDNZ-IVAFGUPBSA-N 0 1 408.951 4.072 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cc(Cl)cc3c2OCC3)cc1 ZINC000542103306 939714981 /nfs/dbraw/zinc/71/49/81/939714981.db2.gz XNQJRHHNCUDHMU-HNNXBMFYSA-N 0 1 422.978 4.156 20 0 HIADMN CCC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@H]3CCCN3C3CCOCC3)sc2C1 ZINC000563720426 945266291 /nfs/dbraw/zinc/26/62/91/945266291.db2.gz AWZYZAFRTAXUPK-CRAIPNDOSA-N 0 1 405.608 4.266 20 0 HIADMN CCCc1c(NC(=O)NC2CCN(Cc3ccncc3)CC2)cnn1-c1ccccc1 ZINC000542118893 939720299 /nfs/dbraw/zinc/72/02/99/939720299.db2.gz YXOJRHXGXCSLDO-UHFFFAOYSA-N 0 1 418.545 4.006 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(CCCn2ccnc2)CC1 ZINC000542134873 939725441 /nfs/dbraw/zinc/72/54/41/939725441.db2.gz VWZDTAQCJXWHAQ-INIZCTEOSA-N 0 1 406.477 4.004 20 0 HIADMN CN(Cc1ccccc1NC1CCN(Cc2ccccn2)CC1)C(=O)c1cccs1 ZINC000542136437 939726307 /nfs/dbraw/zinc/72/63/07/939726307.db2.gz AVLPFQVRCWCZLZ-UHFFFAOYSA-N 0 1 420.582 4.492 20 0 HIADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)N[C@@H](C)c1nc(C)cs1 ZINC000542152301 939732451 /nfs/dbraw/zinc/73/24/51/939732451.db2.gz RERUTZCPWWIMBD-GWCFXTLKSA-N 0 1 409.577 4.374 20 0 HIADMN C[C@H](CCc1cccc(F)c1)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000542163638 939739662 /nfs/dbraw/zinc/73/96/62/939739662.db2.gz BLTCHLVHBUCLPT-QGZVFWFLSA-N 0 1 403.929 4.057 20 0 HIADMN CSc1c(F)cc(NS(=O)(=O)c2ccc(F)cc2Br)cc1F ZINC000542236927 939770427 /nfs/dbraw/zinc/77/04/27/939770427.db2.gz VNDQNXZIINUFAU-UHFFFAOYSA-N 0 1 412.252 4.389 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)ccc1C ZINC000542237043 939770510 /nfs/dbraw/zinc/77/05/10/939770510.db2.gz YKNXYQSYKTXICS-UHFFFAOYSA-N 0 1 402.497 4.014 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N(C)C[C@H](C)c1nccs1)N1CCCCC1 ZINC000542264262 939777450 /nfs/dbraw/zinc/77/74/50/939777450.db2.gz VBCGFIWAYYUCLE-PKOBYXMFSA-N 0 1 416.591 4.124 20 0 HIADMN Cc1cc(C(=O)NC2CCN(CCCc3ccccc3Br)CC2)c(C)o1 ZINC000542276717 939783035 /nfs/dbraw/zinc/78/30/35/939783035.db2.gz CBOAVZOEPAASKF-UHFFFAOYSA-N 0 1 419.363 4.486 20 0 HIADMN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000542353822 939806088 /nfs/dbraw/zinc/80/60/88/939806088.db2.gz MLQDWHIIWKMHNK-UHFFFAOYSA-N 0 1 411.417 4.289 20 0 HIADMN Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)C2)c1 ZINC000542358005 939807052 /nfs/dbraw/zinc/80/70/52/939807052.db2.gz GBWKXGHMERUURK-OAQYLSRUSA-N 0 1 406.574 4.385 20 0 HIADMN C[C@H]1CN(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)CN1Cc1ccccc1 ZINC000563734931 945273376 /nfs/dbraw/zinc/27/33/76/945273376.db2.gz SHDJFGUWKBTSIW-TZYAJKAJSA-N 0 1 407.558 4.069 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cc(F)c(OC(C)C)c(F)c3)[nH]n2)cc1OC ZINC000542364248 939808200 /nfs/dbraw/zinc/80/82/00/939808200.db2.gz KTQRIRKJOZGULQ-UHFFFAOYSA-N 0 1 417.412 4.412 20 0 HIADMN C[C@H](Cc1ccsc1)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542370390 939809398 /nfs/dbraw/zinc/80/93/98/939809398.db2.gz PUALLWGYXAKQBQ-CRAIPNDOSA-N 0 1 401.580 4.434 20 0 HIADMN C[C@H](CN(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)c1nccs1 ZINC000542378236 939810622 /nfs/dbraw/zinc/81/06/22/939810622.db2.gz GBXNTCBABKMJIT-CRAIPNDOSA-N 0 1 406.983 4.379 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)N2CCCC2)c1 ZINC000542385922 939812104 /nfs/dbraw/zinc/81/21/04/939812104.db2.gz FGPGCQRDHTUOIJ-DYESRHJHSA-N 0 1 411.550 4.130 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)N2CCCC2)c1 ZINC000542385926 939812112 /nfs/dbraw/zinc/81/21/12/939812112.db2.gz FGPGCQRDHTUOIJ-LAUBAEHRSA-N 0 1 411.550 4.130 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000542402832 939815575 /nfs/dbraw/zinc/81/55/75/939815575.db2.gz RJHZJZKJGCFBJG-JOCHJYFZSA-N 0 1 408.542 4.122 20 0 HIADMN O=C(N[C@H](c1cccnc1)C1CC1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542405822 939816019 /nfs/dbraw/zinc/81/60/19/939816019.db2.gz WFFBFZBFMIMHBF-UXHICEINSA-N 0 1 408.550 4.288 20 0 HIADMN CC(C)CSCCCNC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542406521 939816401 /nfs/dbraw/zinc/81/64/01/939816401.db2.gz SQUJERWRZUJGGT-GOSISDBHSA-N 0 1 401.580 4.140 20 0 HIADMN O=C(NC[C@@H]1CCc2ccccc21)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542419238 939818219 /nfs/dbraw/zinc/81/82/19/939818219.db2.gz IHBNTSPORSEDDI-PMACEKPBSA-N 0 1 401.514 4.091 20 0 HIADMN O=C(c1ccc(F)c(Cl)c1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542433816 939821606 /nfs/dbraw/zinc/82/16/06/939821606.db2.gz JRVCIBIDKLFLAR-ZDUSSCGKSA-N 0 1 402.832 4.423 20 0 HIADMN COc1c(Cl)cc(NC(=O)c2cn[nH]c2-c2ccc3c(c2)OCO3)cc1Cl ZINC000542445703 939824465 /nfs/dbraw/zinc/82/44/65/939824465.db2.gz FQNGZRUJDPGLAX-UHFFFAOYSA-N 0 1 406.225 4.373 20 0 HIADMN CCCc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)cnn1-c1cccc(F)c1 ZINC000542450657 939825231 /nfs/dbraw/zinc/82/52/31/939825231.db2.gz NXZOSCBMDJTFGA-FQEVSTJZSA-N 0 1 400.523 4.058 20 0 HIADMN C[C@H](OC1CCCCCC1)C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000542474769 939829088 /nfs/dbraw/zinc/82/90/88/939829088.db2.gz LMMNFGDNEVDBFO-GUYCJALGSA-N 0 1 410.440 4.157 20 0 HIADMN O=C(CCOc1cccc(Cl)c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000542479112 939830117 /nfs/dbraw/zinc/83/01/17/939830117.db2.gz NZCOVMNUMKKXLO-KRWDZBQOSA-N 0 1 424.810 4.152 20 0 HIADMN O[C@H](CN[C@H](c1ccc(F)cc1)c1cccnc1)COc1cccc(C(F)(F)F)c1 ZINC000542480660 939830497 /nfs/dbraw/zinc/83/04/97/939830497.db2.gz NKWGEBXSHYEXDL-TZIWHRDSSA-N 0 1 420.406 4.358 20 0 HIADMN Cc1ccc(S(=O)(=O)N[C@H](CN2CCC[C@@H]2c2ccccn2)c2ccccc2)cc1 ZINC000542506902 939834297 /nfs/dbraw/zinc/83/42/97/939834297.db2.gz NSFILTFXANWDKV-DNQXCXABSA-N 0 1 421.566 4.247 20 0 HIADMN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000542510278 939834797 /nfs/dbraw/zinc/83/47/97/939834797.db2.gz KNFGDQHWFKFGBJ-UHFFFAOYSA-N 0 1 413.441 4.310 20 0 HIADMN OCCC1(CNCc2ncc(Br)cc2Br)CCCCC1 ZINC000542516744 939835893 /nfs/dbraw/zinc/83/58/93/939835893.db2.gz DUEWVJZBDJCJFE-UHFFFAOYSA-N 0 1 406.162 4.029 20 0 HIADMN CC[C@H](NCC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000542525826 939837442 /nfs/dbraw/zinc/83/74/42/939837442.db2.gz AHGRZTDXZOFVIX-WIOPSUGQSA-N 0 1 422.548 4.465 20 0 HIADMN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1c(C)nn(C)c1C ZINC000542528267 939837608 /nfs/dbraw/zinc/83/76/08/939837608.db2.gz ROAJGZQNIPLPFQ-CQSZACIVSA-N 0 1 402.848 4.389 20 0 HIADMN Cc1cnc([C@@H](NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C2CC2)s1 ZINC000542530455 939838229 /nfs/dbraw/zinc/83/82/29/939838229.db2.gz FCFHNUYCOKLRRB-HNNXBMFYSA-N 0 1 409.437 4.026 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(N(C)C)nc2ccccc21 ZINC000542533214 939838782 /nfs/dbraw/zinc/83/87/82/939838782.db2.gz DEPMNURQQPKRCZ-UHFFFAOYSA-N 0 1 420.582 4.410 20 0 HIADMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1cc(Cl)cc2c1OCC2 ZINC000542535074 939839421 /nfs/dbraw/zinc/83/94/21/939839421.db2.gz BXTDPBUQZQGUCO-UHFFFAOYSA-N 0 1 416.974 4.313 20 0 HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)Nc3ccccc3OC)s2)cc1 ZINC000542571181 939845000 /nfs/dbraw/zinc/84/50/00/939845000.db2.gz MJADHPFPGWEOFC-CQSZACIVSA-N 0 1 411.527 4.425 20 0 HIADMN CC(C)COC[C@@H](O)CN[C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000542575910 939845469 /nfs/dbraw/zinc/84/54/69/939845469.db2.gz UTFPHAXGPOZPAA-BBRMVZONSA-N 0 1 413.381 4.257 20 0 HIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NCC(=O)N1CCc2ccccc2C1 ZINC000542583583 939846268 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CN(CCCN(C)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21)Cc1ccco1 ZINC000557939759 943334652 /nfs/dbraw/zinc/33/46/52/943334652.db2.gz MNGGAKQGEBITDC-IBGZPJMESA-N 0 1 403.498 4.184 20 0 HIADMN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000558065881 943370375 /nfs/dbraw/zinc/37/03/75/943370375.db2.gz YBFUBESSIRFSFF-CYBMUJFWSA-N 0 1 401.359 4.437 20 0 HIADMN Cc1cc(C)c(CN2CC[C@H](OCc3ccncc3)C2)c(OCc2ccccc2)n1 ZINC000558107925 943380907 /nfs/dbraw/zinc/38/09/07/943380907.db2.gz RLUXWJYJTKMDCA-QHCPKHFHSA-N 0 1 403.526 4.464 20 0 HIADMN CN(CCCN(C)C(=O)c1nc2ccccc2cc1Br)Cc1ccco1 ZINC000558118572 943385683 /nfs/dbraw/zinc/38/56/83/943385683.db2.gz WGBVFRPRPLGLFP-UHFFFAOYSA-N 0 1 416.319 4.184 20 0 HIADMN O=C(CN[C@@H](CCO)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000558143943 943395387 /nfs/dbraw/zinc/39/53/87/943395387.db2.gz DOHWQGROWHSQQQ-KRWDZBQOSA-N 0 1 419.909 4.254 20 0 HIADMN C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000558144126 943395574 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COCCOc1ccc(Cl)cc1-c1noc(-c2[nH]cnc2C(=O)c2ccccc2)n1 ZINC000558332480 943511465 /nfs/dbraw/zinc/51/14/65/943511465.db2.gz FBMACBGCEBHVKX-UHFFFAOYSA-N 0 1 424.844 4.036 20 0 HIADMN COCCOc1ccc(Cl)cc1-c1noc(-c2nc[nH]c2C(=O)c2ccccc2)n1 ZINC000558332480 943511470 /nfs/dbraw/zinc/51/14/70/943511470.db2.gz FBMACBGCEBHVKX-UHFFFAOYSA-N 0 1 424.844 4.036 20 0 HIADMN Cc1ccc(NC(=O)N2CC(N(C)Cc3ccccc3)C2)c(-c2nc(C3CC3)no2)c1 ZINC000558354919 943522465 /nfs/dbraw/zinc/52/24/65/943522465.db2.gz WNOGCKGAZYCEJI-UHFFFAOYSA-N 0 1 417.513 4.271 20 0 HIADMN FC1(F)CCN(Cc2ccccc2)C[C@H]1c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000558368723 943528770 /nfs/dbraw/zinc/52/87/70/943528770.db2.gz GBXNCAISQVEXFO-LPHOPBHVSA-N 0 1 413.424 4.207 20 0 HIADMN COc1ccc([C@H](CNC(=O)NC(C)(C)c2c(C)noc2C)N2CCCCC2)cc1 ZINC000558371700 943531185 /nfs/dbraw/zinc/53/11/85/943531185.db2.gz MOUPFBDAXZAORM-FQEVSTJZSA-N 0 1 414.550 4.062 20 0 HIADMN O=C(CCCc1ccccc1)N[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000558413343 943552526 /nfs/dbraw/zinc/55/25/26/943552526.db2.gz JEGBOUXURMDQLV-HSZRJFAPSA-N 0 1 420.532 4.319 20 0 HIADMN CC1CC[NH+](CCCC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000558475689 943569108 /nfs/dbraw/zinc/56/91/08/943569108.db2.gz HFHVJSASTJAUQV-UHFFFAOYSA-N 0 1 412.905 4.149 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)NCc2ccnc(OC3CCC(C)CC3)c2)CC1 ZINC000558525330 943588403 /nfs/dbraw/zinc/58/84/03/943588403.db2.gz IIUAACXYHHEXMN-UHFFFAOYSA-N 0 1 411.550 4.160 20 0 HIADMN CC[C@H](C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)N(C)Cc1ccccc1 ZINC000558546792 943593871 /nfs/dbraw/zinc/59/38/71/943593871.db2.gz FFLQJWBWDNMJMR-OXJNMPFZSA-N 0 1 410.493 4.272 20 0 HIADMN CC[C@@H](C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)N(C)Cc1ccccc1 ZINC000558558097 943597250 /nfs/dbraw/zinc/59/72/50/943597250.db2.gz JWIOKAXCMFAVPK-LEWJYISDSA-N 0 1 418.484 4.099 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3nnc([C@H]4CCCO4)o3)n[nH]2)c(C)c1 ZINC000558577757 943605963 /nfs/dbraw/zinc/60/59/63/943605963.db2.gz VZEIIKIOKPWSPG-VQTJNVASSA-N 0 1 421.501 4.295 20 0 HIADMN CCCN(C(=O)c1cccc(Br)c1O)[C@H](C)CC(=O)Nc1ccccc1 ZINC000558636493 943622284 /nfs/dbraw/zinc/62/22/84/943622284.db2.gz HRAZOSDPBSISPW-CQSZACIVSA-N 0 1 419.319 4.424 20 0 HIADMN Cc1sc2nc(C)nc(SCC(=O)Nc3ncc(C(F)(F)F)[nH]3)c2c1C ZINC000558649495 943624549 /nfs/dbraw/zinc/62/45/49/943624549.db2.gz LEAZKIRMCHPLIJ-UHFFFAOYSA-N 0 1 401.439 4.089 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)[nH]c2c1 ZINC000558677882 943627830 /nfs/dbraw/zinc/62/78/30/943627830.db2.gz NMSINIQWVKIROE-LJQANCHMSA-N 0 1 411.469 4.047 20 0 HIADMN C[C@H](N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1sccc1Br ZINC000558698369 943629650 /nfs/dbraw/zinc/62/96/50/943629650.db2.gz KFKGXWXANOABPA-GOEBONIOSA-N 0 1 407.377 4.395 20 0 HIADMN Cn1c2ccccc2nc1[C@@H]1CCCCN1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000558723812 943632871 /nfs/dbraw/zinc/63/28/71/943632871.db2.gz NJJKKLUJSWZCMH-CVDCTZTESA-N 0 1 402.542 4.263 20 0 HIADMN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000558732199 943634364 /nfs/dbraw/zinc/63/43/64/943634364.db2.gz BKCIEVGUMBBJOA-UHFFFAOYSA-N 0 1 418.831 4.097 20 0 HIADMN COc1ccc(Br)c(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000558736293 943635236 /nfs/dbraw/zinc/63/52/36/943635236.db2.gz WZVWWTLEDAQPPF-DYESRHJHSA-N 0 1 420.347 4.002 20 0 HIADMN Cc1nn(-c2ccccn2)c(C)c1CNCc1cccc(COCC(F)(F)F)c1 ZINC000558782485 943661476 /nfs/dbraw/zinc/66/14/76/943661476.db2.gz MUSKTFFCYCXFJU-UHFFFAOYSA-N 0 1 404.436 4.253 20 0 HIADMN Cc1nc2c(cccc2C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)[nH]1 ZINC000558827277 943682251 /nfs/dbraw/zinc/68/22/51/943682251.db2.gz VVFANFQDVBPERF-UHFFFAOYSA-N 0 1 403.511 4.410 20 0 HIADMN Cc1nc2c(cccc2C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)[nH]1 ZINC000558829965 943683408 /nfs/dbraw/zinc/68/34/08/943683408.db2.gz OEDKNWPEEFVWFU-UHFFFAOYSA-N 0 1 401.388 4.024 20 0 HIADMN CCC[C@@H]1CN(C(=O)Nc2cccc(Br)c2Cl)CCN1CCOC ZINC000558846577 943695193 /nfs/dbraw/zinc/69/51/93/943695193.db2.gz GJXJDVYUZBZNCW-CYBMUJFWSA-N 0 1 418.763 4.067 20 0 HIADMN Cc1cccc(CN2CCN(c3nnc(-c4ccccn4)n3Cc3ccccc3)CC2)c1 ZINC000558900919 943735710 /nfs/dbraw/zinc/73/57/10/943735710.db2.gz SONQZGGTWSNDML-UHFFFAOYSA-N 0 1 424.552 4.019 20 0 HIADMN CCc1nc2cc(CNC(=O)N[C@@H](C)c3n[nH]c([C@@H](C)CC)n3)ccc2n1C1CC1 ZINC000558971991 943776310 /nfs/dbraw/zinc/77/63/10/943776310.db2.gz JIMAXIGZAXUUQB-KBPBESRZSA-N 0 1 409.538 4.126 20 0 HIADMN CCOCCCn1c(-c2cccc3ccccc32)nnc1N1CCN(C(C)C)CC1 ZINC000559046904 943815077 /nfs/dbraw/zinc/81/50/77/943815077.db2.gz LYCKMUDYMQVJDS-UHFFFAOYSA-N 0 1 407.562 4.055 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccsc1 ZINC000559142970 943852930 /nfs/dbraw/zinc/85/29/30/943852930.db2.gz PEOFORCCIZXFNO-KRWDZBQOSA-N 0 1 404.536 4.359 20 0 HIADMN CCc1sc(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)cc1Br ZINC000559153840 943854875 /nfs/dbraw/zinc/85/48/75/943854875.db2.gz NAZMLMVDKCBRSN-UHFFFAOYSA-N 0 1 407.293 4.119 20 0 HIADMN Fc1ccc(CC2(NCc3nc(-c4cc(F)c(F)c(F)c4)no3)CCOCC2)cc1 ZINC000559285092 943890663 /nfs/dbraw/zinc/89/06/63/943890663.db2.gz DDQLWHNBGBSCMY-UHFFFAOYSA-N 0 1 421.394 4.175 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1csc([C@@H]2CCCO2)n1 ZINC000559294179 943891692 /nfs/dbraw/zinc/89/16/92/943891692.db2.gz KJSSHUOPRVNICO-IBGZPJMESA-N 0 1 419.978 4.290 20 0 HIADMN O=C(Nc1nc(-c2cccnc2)cs1)c1cc(Br)cc2nc[nH]c21 ZINC000559318570 943895482 /nfs/dbraw/zinc/89/54/82/943895482.db2.gz IHXIQLIAIJYMLN-UHFFFAOYSA-N 0 1 400.261 4.096 20 0 HIADMN CCCOc1ccc(CN[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1OC ZINC000559321451 943895912 /nfs/dbraw/zinc/89/59/12/943895912.db2.gz DLJDVCDKBVNPQP-LAUBAEHRSA-N 0 1 414.521 4.465 20 0 HIADMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OCc3cccnc3)cc2)cc1 ZINC000559420356 943943740 /nfs/dbraw/zinc/94/37/40/943943740.db2.gz OYZHYAVRXXUPNO-GOSISDBHSA-N 0 1 410.539 4.305 20 0 HIADMN CC[C@H](C)c1ccc([C@H](NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)C(C)C)cc1 ZINC000559453849 943960095 /nfs/dbraw/zinc/96/00/95/943960095.db2.gz GXOCWEYUNNWTRO-HTAPYJJXSA-N 0 1 410.562 4.143 20 0 HIADMN Cc1sc(C2(NC[C@H](O)COCc3ccco3)CCC2)nc1-c1ccccc1F ZINC000559478997 943973770 /nfs/dbraw/zinc/97/37/70/943973770.db2.gz AGCNXSHXNABVSG-INIZCTEOSA-N 0 1 416.518 4.397 20 0 HIADMN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc2cncn2c1 ZINC000559540773 943996847 /nfs/dbraw/zinc/99/68/47/943996847.db2.gz QGKQWODMVROBDJ-UHFFFAOYSA-N 0 1 406.877 4.225 20 0 HIADMN Cc1c(NC(=O)c2ccc3cncn3c2)cccc1C(=O)N1CCc2sccc2C1 ZINC000559543109 943997957 /nfs/dbraw/zinc/99/79/57/943997957.db2.gz WBCGDLDGRXCMKC-UHFFFAOYSA-N 0 1 416.506 4.155 20 0 HIADMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)N1CCC([C@H]2CCCO2)CC1 ZINC000559706997 944033369 /nfs/dbraw/zinc/03/33/69/944033369.db2.gz VXCZPCMMGJGROB-NHCUHLMSSA-N 0 1 405.970 4.078 20 0 HIADMN CN1CCN(c2ccc(NC(=O)c3c[nH]c(C(F)(F)F)c3)c(C(F)(F)F)c2)CC1 ZINC000559714024 944035061 /nfs/dbraw/zinc/03/50/61/944035061.db2.gz KTPZCWCIASOGEY-UHFFFAOYSA-N 0 1 420.357 4.056 20 0 HIADMN COc1cccc(Oc2ccc(CN[C@H](c3nnc[nH]3)c3ccc(F)cc3)cn2)c1 ZINC000559742167 944043030 /nfs/dbraw/zinc/04/30/30/944043030.db2.gz VBRSDFBLWOQCCP-NRFANRHFSA-N 0 1 405.433 4.019 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@@H]2CCc3sc(Br)cc32)cc1Cl ZINC000559844065 944065060 /nfs/dbraw/zinc/06/50/60/944065060.db2.gz VYMMXMWDEDQFMY-GFCCVEGCSA-N 0 1 420.781 4.345 20 0 HIADMN COCCc1nc(C)c([C@H](C)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)s1 ZINC000559900055 944079969 /nfs/dbraw/zinc/07/99/69/944079969.db2.gz RQTGQZIKHBHVIJ-ZSZQSSIHSA-N 0 1 419.566 4.182 20 0 HIADMN CN(C)Cc1cc(-c2noc(C3(Cc4ccc(F)cc4)CCOCC3)n2)ccc1F ZINC000559951679 944097890 /nfs/dbraw/zinc/09/78/90/944097890.db2.gz WDUPJCUTOMFIPL-UHFFFAOYSA-N 0 1 413.468 4.367 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H]3CCCc4occc43)c2)cc1 ZINC000559984543 944111000 /nfs/dbraw/zinc/11/10/00/944111000.db2.gz JYNQHZMVGAFSAU-NRFANRHFSA-N 0 1 412.511 4.256 20 0 HIADMN Brc1cccc(-c2n[nH]c(-c3noc(-c4scnc4C4CC4)n3)n2)c1 ZINC000559986384 944112746 /nfs/dbraw/zinc/11/27/46/944112746.db2.gz CUPYWSBXPODRMW-UHFFFAOYSA-N 0 1 415.276 4.285 20 0 HIADMN CS(=O)(=O)c1cc(CNCc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000560077108 944150318 /nfs/dbraw/zinc/15/03/18/944150318.db2.gz SPUFMCOPWVAUOL-UHFFFAOYSA-N 0 1 411.367 4.418 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000560094829 944157153 /nfs/dbraw/zinc/15/71/53/944157153.db2.gz SIFIRZYZYGILJX-UHFFFAOYSA-N 0 1 417.513 4.060 20 0 HIADMN CCc1ccc([C@H](C)NC(=O)CN[C@@H](c2cncc(Br)c2)C2CC2)cc1 ZINC000560181831 944189205 /nfs/dbraw/zinc/18/92/05/944189205.db2.gz VUJDEQBMDDRIAY-LHSJRXKWSA-N 0 1 416.363 4.325 20 0 HIADMN CC[C@@H](NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC000560237241 944203958 /nfs/dbraw/zinc/20/39/58/944203958.db2.gz AASLZSFTERPHFF-GOSISDBHSA-N 0 1 401.450 4.358 20 0 HIADMN COC(=O)c1ccc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)c(Br)c1 ZINC000560258681 944208991 /nfs/dbraw/zinc/20/89/91/944208991.db2.gz SCIGHQCHZOHJBY-MJGOQNOKSA-N 0 1 404.304 4.103 20 0 HIADMN Cc1cc2ncc([C@@H](C)N[C@H](c3cncc(Br)c3)C3CC3)c(C)n2n1 ZINC000560264906 944211278 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COCCN(Cc1cc(Br)cs1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000426381374 856266944 /nfs/dbraw/zinc/26/69/44/856266944.db2.gz YQQJKFDEMNAKEE-UHFFFAOYSA-N 0 1 421.364 4.048 20 0 HIADMN CN1CCCN(c2ccc(-c3noc(-c4ncccc4Cl)n3)cc2Cl)CC1 ZINC000426407117 856277931 /nfs/dbraw/zinc/27/79/31/856277931.db2.gz SXCBHZLRJXAXRT-UHFFFAOYSA-N 0 1 404.301 4.247 20 0 HIADMN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cn[nH]c2-c2ccc(Cl)s2)c(C)c1 ZINC000426440076 856291135 /nfs/dbraw/zinc/29/11/35/856291135.db2.gz MWNNFIRVKCNSHI-UHFFFAOYSA-N 0 1 416.934 4.428 20 0 HIADMN CCOC(=O)COc1ccc(CN[C@@H]2CSc3ccc(Br)cc32)cc1 ZINC000426556484 856346440 /nfs/dbraw/zinc/34/64/40/856346440.db2.gz OCSSZVSTGMTOIK-QGZVFWFLSA-N 0 1 422.344 4.328 20 0 HIADMN COC(=O)[C@H](C)Oc1ccc(CN[C@H]2CSc3ccc(Br)cc32)cc1 ZINC000426579381 856359180 /nfs/dbraw/zinc/35/91/80/856359180.db2.gz MGDXZMNIOFZTJD-SJCJKPOMSA-N 0 1 422.344 4.326 20 0 HIADMN Cc1nc(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)ccc1C(=O)[O-] ZINC000426663124 856400265 /nfs/dbraw/zinc/40/02/65/856400265.db2.gz IOVVVHKFZLTXOM-UHFFFAOYSA-N 0 1 418.316 4.264 20 0 HIADMN O=C([O-])[C@H](C[NH+]1CCCCC1)NCc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000426714331 856429760 /nfs/dbraw/zinc/42/97/60/856429760.db2.gz COXGGDGTISZONS-NRFANRHFSA-N 0 1 420.912 4.087 20 0 HIADMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2c(F)cccc2F)cc1OCc1ccccc1 ZINC000426725768 856437270 /nfs/dbraw/zinc/43/72/70/856437270.db2.gz DUBXHHBJRYGRDQ-JOCHJYFZSA-N 0 1 413.420 4.468 20 0 HIADMN CC(C)Cc1ncc(C[NH2+][C@@H](CSCc2cccc3cccnc32)C(=O)[O-])s1 ZINC000426741363 856445382 /nfs/dbraw/zinc/44/53/82/856445382.db2.gz LEFDXNSWNOOMTH-SFHVURJKSA-N 0 1 415.584 4.366 20 0 HIADMN O=C([O-])[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000426758771 856460872 /nfs/dbraw/zinc/46/08/72/856460872.db2.gz UGRCESDCSMLOJS-QGZVFWFLSA-N 0 1 423.376 4.206 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1cnn(-c2ccccc2)c1 ZINC000426759213 856460982 /nfs/dbraw/zinc/46/09/82/856460982.db2.gz WEAHKRGXVYSOPF-SFHVURJKSA-N 0 1 418.266 4.080 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1cnn(-c2ccccc2)c1 ZINC000426759212 856461365 /nfs/dbraw/zinc/46/13/65/856461365.db2.gz WEAHKRGXVYSOPF-GOSISDBHSA-N 0 1 418.266 4.080 20 0 HIADMN CCOc1c(OC)cc(C[NH2+][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cc1OC ZINC000426760890 856462414 /nfs/dbraw/zinc/46/24/14/856462414.db2.gz VSAILUJIUSYWQQ-QGZVFWFLSA-N 0 1 414.285 4.325 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)c1cnn(-c2ccccc2)c1 ZINC000426762583 856463521 /nfs/dbraw/zinc/46/35/21/856463521.db2.gz LMDOKJAOCWNKQY-HXUWFJFHSA-N 0 1 422.485 4.441 20 0 HIADMN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426765646 856466340 /nfs/dbraw/zinc/46/63/40/856466340.db2.gz QUSBWYKDLVGEFG-JOCHJYFZSA-N 0 1 420.569 4.003 20 0 HIADMN C[C@H](c1cccnc1)N1CCC(Oc2ccccc2I)CC1 ZINC000426773972 856470651 /nfs/dbraw/zinc/47/06/51/856470651.db2.gz RTHSYASFFFNGBM-CQSZACIVSA-N 0 1 408.283 4.291 20 0 HIADMN O=C([O-])[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)c1ccc(O)cc1 ZINC000426785850 856476313 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HIADMN O=C(Nc1ccccc1)c1cccc(CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000426822672 856498871 /nfs/dbraw/zinc/49/88/71/856498871.db2.gz FAOQGTLXOFEPSI-XMMPIXPASA-N 0 1 408.542 4.489 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCc2ccnc(Oc3ccccc3F)c2)n[nH]1 ZINC000426845045 856509976 /nfs/dbraw/zinc/50/99/76/856509976.db2.gz ICGRXCXXRLWFOP-KBPBESRZSA-N 0 1 412.469 4.205 20 0 HIADMN COc1cccc(C=C(CC(=O)N(C)Cc2nnc[nH]2)c2nc3ccccc3s2)c1 ZINC000426875629 856522336 /nfs/dbraw/zinc/52/23/36/856522336.db2.gz PAIZDDCESKDTTL-YBEGLDIGSA-N 0 1 419.510 4.012 20 0 HIADMN Cc1cccc2nc(CCC(=O)N3C[C@H](CC(=O)N(C)C)c4cc(Cl)ccc43)[nH]c21 ZINC000426909639 856537782 /nfs/dbraw/zinc/53/77/82/856537782.db2.gz PPZDVIUJJHNUPG-HNNXBMFYSA-N 0 1 424.932 4.066 20 0 HIADMN Cc1cccc2nc(CCC(=O)N3CCN([C@@H](C)c4ccc(Cl)cc4)CC3)[nH]c21 ZINC000426931487 856548608 /nfs/dbraw/zinc/54/86/08/856548608.db2.gz JKUQXYAIUSSPAO-KRWDZBQOSA-N 0 1 410.949 4.363 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3nc4ccccc4n3CCc3ccccn3)[nH]c21 ZINC000426958209 856563833 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414.269 4.357 20 0 HIADMN CN1CC[C@H](NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000427541740 856856651 /nfs/dbraw/zinc/85/66/51/856856651.db2.gz RPHHIYNHFINCGF-KSSFIOAISA-N 0 1 422.888 4.245 20 0 HIADMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427548002 856859851 /nfs/dbraw/zinc/85/98/51/856859851.db2.gz BGKDCZCPCNNIJB-KXBFYZLASA-N 0 1 412.477 4.320 20 0 HIADMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427547994 856859896 /nfs/dbraw/zinc/85/98/96/856859896.db2.gz BGKDCZCPCNNIJB-BEFAXECRSA-N 0 1 412.477 4.320 20 0 HIADMN Cc1ccc([C@H](CN[C@@H](C)c2ncc(Br)cc2F)N2CCOCC2)cc1 ZINC000427618072 856889403 /nfs/dbraw/zinc/88/94/03/856889403.db2.gz MAFBDNKUGWOSKC-KXBFYZLASA-N 0 1 422.342 4.016 20 0 HIADMN Cc1cc2c(cc1C)[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)CCS2 ZINC000427687691 856908825 /nfs/dbraw/zinc/90/88/25/856908825.db2.gz XHQDLUJMWKWBOX-OXQOHEQNSA-N 0 1 404.601 4.441 20 0 HIADMN 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409.530 4.397 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2c(OC(C)C)ccc3ccccc32)cn1 ZINC000427841720 856977693 /nfs/dbraw/zinc/97/76/93/856977693.db2.gz ZBJFEJICJUETBU-UHFFFAOYSA-N 0 1 403.486 4.164 20 0 HIADMN CCSc1cc(CN[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)ccn1 ZINC000427847424 856980169 /nfs/dbraw/zinc/98/01/69/856980169.db2.gz CKVIBOAQDHXICZ-MRXNPFEDSA-N 0 1 407.605 4.075 20 0 HIADMN C[C@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1OCCc2sccc21 ZINC000427851788 856980975 /nfs/dbraw/zinc/98/09/75/856980975.db2.gz LVNIGZYQGOXVBZ-SDDDUWNISA-N 0 1 411.354 4.452 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCc1nc2cc(Cl)ccc2n1C ZINC000427856102 856983868 /nfs/dbraw/zinc/98/38/68/856983868.db2.gz VFUPIIVZNMTGRM-LBPRGKRZSA-N 0 1 421.328 4.396 20 0 HIADMN C[C@H](N[C@@H](C)[C@H]1OCCc2sccc21)C(=O)Nc1ccc(Br)cc1 ZINC000427856337 856983987 /nfs/dbraw/zinc/98/39/87/856983987.db2.gz NDOFFPAKGCTJCB-NVGCLXPQSA-N 0 1 409.349 4.130 20 0 HIADMN CCOc1cc(Br)c(F)cc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000428013916 857041447 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4.280 20 0 HIADMN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2nc3ccc(F)cc3[nH]2)cc1 ZINC000428035761 857051606 /nfs/dbraw/zinc/05/16/06/857051606.db2.gz FYVDDUXCRJSWQO-UHFFFAOYSA-N 0 1 410.478 4.137 20 0 HIADMN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000428047585 857055218 /nfs/dbraw/zinc/05/52/18/857055218.db2.gz FWJXSMIXDWESGZ-UHFFFAOYSA-N 0 1 414.238 4.211 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ncc(C)s1)N1CCCCC1 ZINC000428275084 857136241 /nfs/dbraw/zinc/13/62/41/857136241.db2.gz GCQLKJYKJXLTFV-WMZOPIPTSA-N 0 1 402.564 4.048 20 0 HIADMN CCSCC[C@@H](C)N(C)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000437549400 862879751 /nfs/dbraw/zinc/87/97/51/862879751.db2.gz SFQCYXYNZHJJRG-MRXNPFEDSA-N 0 1 413.031 4.477 20 0 HIADMN CCSCC[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 ZINC000437549397 862880101 /nfs/dbraw/zinc/88/01/01/862880101.db2.gz SFQCYXYNZHJJRG-INIZCTEOSA-N 0 1 413.031 4.477 20 0 HIADMN COc1ccc(NC(=O)C2(NCc3cnc(C4CCC4)s3)CCCC2)cc1OC ZINC000428399926 857191045 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COCCS(=O)(=O)c1ccc(CNc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000428670736 857293898 /nfs/dbraw/zinc/29/38/98/857293898.db2.gz DIOLTBSDHFPWTC-UHFFFAOYSA-N 0 1 424.444 4.286 20 0 HIADMN CCc1ccc(-c2nc(CN3CCC([C@@H]4OCC[C@H]4C(=O)OC)CC3)cs2)cc1 ZINC000428708628 857304543 /nfs/dbraw/zinc/30/45/43/857304543.db2.gz JYDCRBIHBWCTLP-RTWAWAEBSA-N 0 1 414.571 4.163 20 0 HIADMN CCOC1(C)CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000428726958 857311933 /nfs/dbraw/zinc/31/19/33/857311933.db2.gz GNXSKLMGVUSJGX-QFIPXVFZSA-N 0 1 400.950 4.437 20 0 HIADMN COc1ccc(CNC(=O)[C@H](C)N2CCC(c3ccc(F)cc3C)CC2)cc1OC ZINC000428732099 857312705 /nfs/dbraw/zinc/31/27/05/857312705.db2.gz AINNFCKTKMQLBK-KRWDZBQOSA-N 0 1 414.521 4.036 20 0 HIADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000428743232 857315649 /nfs/dbraw/zinc/31/56/49/857315649.db2.gz JKMJCJBSMIDRNY-MOPGFXCFSA-N 0 1 420.962 4.254 20 0 HIADMN NC(=O)c1ccc(CN(CCC(=O)Nc2c(Cl)cccc2Cl)C2CC2)c(F)c1 ZINC000428775346 857330914 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O=C(Nc1ccccc1Oc1ccc(Cl)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000429024839 857462705 /nfs/dbraw/zinc/46/27/05/857462705.db2.gz HOHZVUJHPOQPRU-QGZVFWFLSA-N 0 1 415.921 4.318 20 0 HIADMN Cc1cc(Sc2ccccc2)ccc1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000429034108 857467366 /nfs/dbraw/zinc/46/73/66/857467366.db2.gz HKZCFPIWTUQCLH-IBGZPJMESA-N 0 1 411.571 4.332 20 0 HIADMN O=C(Nc1cccc(CCCc2ccccc2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000429058011 857482950 /nfs/dbraw/zinc/48/29/50/857482950.db2.gz DSXGGCHCOKNSOH-QHCPKHFHSA-N 0 1 407.558 4.048 20 0 HIADMN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000429111918 857514299 /nfs/dbraw/zinc/51/42/99/857514299.db2.gz DZQXQPZDVSDMDV-ITSWEJNFSA-N 0 1 414.571 4.102 20 0 HIADMN O=C(CN1CC[C@@H](Sc2cccc(Cl)c2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000429128827 857522883 /nfs/dbraw/zinc/52/28/83/857522883.db2.gz QATYDZPYJBKTAS-CZUORRHYSA-N 0 1 406.901 4.307 20 0 HIADMN C[C@H](NCC(=O)N1CC[C@@H](C)Sc2ccccc21)[C@@H]1OCCc2sccc21 ZINC000429130631 857524504 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20 0 HIADMN Cc1csc2nc(CN[C@H]3c4cc(Br)ccc4CC3(C)C)cc(=O)n12 ZINC000429288767 857592186 /nfs/dbraw/zinc/59/21/86/857592186.db2.gz BCTJBSGTOWJSDS-KRWDZBQOSA-N 0 1 418.360 4.240 20 0 HIADMN COC(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)[C@H]1C(C)C ZINC000429379953 857632589 /nfs/dbraw/zinc/63/25/89/857632589.db2.gz KWCFBUXCGZISAJ-RBOXIYTFSA-N 0 1 420.859 4.205 20 0 HIADMN COCCS(=O)(=O)c1ccc(CN[C@@H]2CCCOc3ccc(C(C)C)cc32)cc1 ZINC000429421430 857657593 /nfs/dbraw/zinc/65/75/93/857657593.db2.gz FRSOTNPTBOSWGL-JOCHJYFZSA-N 0 1 417.571 4.234 20 0 HIADMN C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc(OC(F)(F)F)c1 ZINC000429426458 857661289 /nfs/dbraw/zinc/66/12/89/857661289.db2.gz GIUATJZVELHSHV-NSHDSACASA-N 0 1 407.841 4.493 20 0 HIADMN COCCS(=O)(=O)c1ccc(CN[C@@H]2CCCOc3c(Cl)cc(C)cc32)cc1 ZINC000429431104 857663537 /nfs/dbraw/zinc/66/35/37/857663537.db2.gz SHVAPOCBTPOCHR-HXUWFJFHSA-N 0 1 423.962 4.072 20 0 HIADMN CCOc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1OCC ZINC000429449120 857675526 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417.538 4.403 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(COc4ccc(C)nc4)c3)c2C)o1 ZINC000434436030 860350673 /nfs/dbraw/zinc/35/06/73/860350673.db2.gz AYYVDJHLGZHXLZ-UHFFFAOYSA-N 0 1 402.454 4.821 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)c2C)o1 ZINC000434440870 860353810 /nfs/dbraw/zinc/35/38/10/860353810.db2.gz LVPOQYVSFGSLCI-UONOGXRCSA-N 0 1 405.376 4.927 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CC[C@H](CC(F)(F)F)C2)N2CCCCC2)cc1 ZINC000434478199 860366087 /nfs/dbraw/zinc/36/60/87/860366087.db2.gz FKYPKNASRHOGLL-VQIMIIECSA-N 0 1 413.484 4.206 20 0 HIADMN Cc1cc(Br)ccc1CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000434488375 860369467 /nfs/dbraw/zinc/36/94/67/860369467.db2.gz HSZIZCFTZBIONE-INIZCTEOSA-N 0 1 410.381 4.263 20 0 HIADMN O=C(CN1CCC(F)(c2ccccc2)CC1)N1CCC(OCc2ccccc2)CC1 ZINC000434495328 860373052 /nfs/dbraw/zinc/37/30/52/860373052.db2.gz URDBBMLFERKHGW-UHFFFAOYSA-N 0 1 410.533 4.155 20 0 HIADMN COC(=O)COc1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1Cl ZINC000434497222 860373091 /nfs/dbraw/zinc/37/30/91/860373091.db2.gz MIOVVUNCHYNFIQ-UHFFFAOYSA-N 0 1 420.252 4.188 20 0 HIADMN CC[C@@H](C)n1c(SCC(=O)N2CCC(c3cnc[nH]3)CC2)nnc1-c1ccccc1 ZINC000434505413 860378045 /nfs/dbraw/zinc/37/80/45/860378045.db2.gz PRDLAQJRIGORLE-MRXNPFEDSA-N 0 1 424.574 4.138 20 0 HIADMN CC[C@@H](C)c1ncc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000434516492 860382510 /nfs/dbraw/zinc/38/25/10/860382510.db2.gz HIQQZCAGTSSWRG-OAHLLOKOSA-N 0 1 401.942 4.430 20 0 HIADMN CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1 ZINC000434546935 860395171 /nfs/dbraw/zinc/39/51/71/860395171.db2.gz KJNYNIUIDWNNHI-UHFFFAOYSA-N 0 1 424.482 4.044 20 0 HIADMN C[C@H](NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)c1cc2ccccc2s1 ZINC000434573910 860409468 /nfs/dbraw/zinc/40/94/68/860409468.db2.gz LYKMHOZYRSRRGD-KSSFIOAISA-N 0 1 423.538 4.102 20 0 HIADMN O=C(CCN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1cc(F)cc(F)c1 ZINC000434575397 860410528 /nfs/dbraw/zinc/41/05/28/860410528.db2.gz RFFGVCQCUGDJPI-UHFFFAOYSA-N 0 1 408.395 4.167 20 0 HIADMN Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000434594432 860418481 /nfs/dbraw/zinc/41/84/81/860418481.db2.gz HGQPWAGOWNRXAV-YADHBBJMSA-N 0 1 423.557 4.174 20 0 HIADMN Cc1cc(C)c(NC(=O)CNC(=O)CN(C)[C@H](c2ccc(F)cc2)C(C)C)c(C)c1 ZINC000434619873 860434207 /nfs/dbraw/zinc/43/42/07/860434207.db2.gz HATJEPOEHHJXQD-DEOSSOPVSA-N 0 1 413.537 4.135 20 0 HIADMN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000434666955 860452767 /nfs/dbraw/zinc/45/27/67/860452767.db2.gz VOFMGKRTWQNAPR-IBGZPJMESA-N 0 1 405.897 4.122 20 0 HIADMN CCn1nccc1C1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000434784636 860493729 /nfs/dbraw/zinc/49/37/29/860493729.db2.gz DGOSMAGVSAVPFC-DEOSSOPVSA-N 0 1 402.542 4.140 20 0 HIADMN CCn1nccc1C1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000434784638 860494804 /nfs/dbraw/zinc/49/48/04/860494804.db2.gz DGOSMAGVSAVPFC-XMMPIXPASA-N 0 1 402.542 4.140 20 0 HIADMN COC[C@H](NCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000434790138 860495005 /nfs/dbraw/zinc/49/50/05/860495005.db2.gz QZOWFZKQUAXRDU-OALUTQOASA-N 0 1 420.962 4.213 20 0 HIADMN C[C@@H](NC1CCN(C(=O)c2ccccc2F)CC1)c1nc(C(F)(F)F)cs1 ZINC000467744732 881547177 /nfs/dbraw/zinc/54/71/77/881547177.db2.gz BCUNVMSKTIKLGC-LLVKDONJSA-N 0 1 401.429 4.256 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCCC3)cccc21 ZINC000434954330 860572271 /nfs/dbraw/zinc/57/22/71/860572271.db2.gz HGOSIFKSTLPOGF-FGZHOGPDSA-N 0 1 421.541 4.058 20 0 HIADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000434975207 860582931 /nfs/dbraw/zinc/58/29/31/860582931.db2.gz AITDULGNPGGMBL-GOSISDBHSA-N 0 1 404.514 4.195 20 0 HIADMN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000434982224 860584638 /nfs/dbraw/zinc/58/46/38/860584638.db2.gz KKSKGCPQGAFSQH-KRWDZBQOSA-N 0 1 421.570 4.304 20 0 HIADMN CC(=O)NC[C@H]1CCCN(Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000434985809 860586123 /nfs/dbraw/zinc/58/61/23/860586123.db2.gz KRDDJGDIOAFXRZ-QGZVFWFLSA-N 0 1 402.970 4.307 20 0 HIADMN CCn1nccc1C1CCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000435041279 860611298 /nfs/dbraw/zinc/61/12/98/860611298.db2.gz IPCBIMNURUXAFE-FQEVSTJZSA-N 0 1 403.954 4.494 20 0 HIADMN Cc1cncc([C@@H](C)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000467751537 881559653 /nfs/dbraw/zinc/55/96/53/881559653.db2.gz HAJHLWPNULHZLA-LJQANCHMSA-N 0 1 405.521 4.102 20 0 HIADMN O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000435124525 860651930 /nfs/dbraw/zinc/65/19/30/860651930.db2.gz QFTOESQJKYEETG-UHFFFAOYSA-N 0 1 424.892 4.122 20 0 HIADMN O=C(NCC1(CN2CCOCC2)CCCCC1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000435154366 860668465 /nfs/dbraw/zinc/66/84/65/860668465.db2.gz SHLACSJKZNMLLZ-UHFFFAOYSA-N 0 1 412.534 4.109 20 0 HIADMN CCC[C@@H]1CN(C(=O)Nc2cc3sc(C)nc3cc2Cl)CCN1CCOC ZINC000435181078 860682839 /nfs/dbraw/zinc/68/28/39/860682839.db2.gz KFIDRUQBSFFDSP-CQSZACIVSA-N 0 1 410.971 4.223 20 0 HIADMN Cc1c(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cnn1-c1ccccc1 ZINC000435487371 860817938 /nfs/dbraw/zinc/81/79/38/860817938.db2.gz QYDOGKYYQXJGGK-UHFFFAOYSA-N 0 1 400.262 4.427 20 0 HIADMN O=C1NC2(CCCC2)C(=O)N1CCN[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000467765405 881583756 /nfs/dbraw/zinc/58/37/56/881583756.db2.gz AOFGGTZPETVQRW-IBGZPJMESA-N 0 1 415.896 4.023 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000467768637 881585078 /nfs/dbraw/zinc/58/50/78/881585078.db2.gz IHHIMUNVJYMELQ-ZEQRLZLVSA-N 0 1 422.573 4.097 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C3CCC(C(F)(F)F)CC3)cc2)C[C@@H](C)O1 ZINC000435526013 860841901 /nfs/dbraw/zinc/84/19/01/860841901.db2.gz MHZUVUOSAHTEQW-JZFKGDSASA-N 0 1 412.496 4.281 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)C3CCC(C(F)(F)F)CC3)cc2)C[C@H](C)O1 ZINC000435526014 860842078 /nfs/dbraw/zinc/84/20/78/860842078.db2.gz MHZUVUOSAHTEQW-MVYVIFSASA-N 0 1 412.496 4.281 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CCC(OCC2CCCC2)CC1 ZINC000435585432 860898087 /nfs/dbraw/zinc/89/80/87/860898087.db2.gz RVPKRYXTYUCQJA-OAQYLSRUSA-N 0 1 403.567 4.187 20 0 HIADMN O=C(NCCc1ccc(OCc2ccccc2)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000435613824 860916598 /nfs/dbraw/zinc/91/65/98/860916598.db2.gz CBFBNUZVXYKNQF-UHFFFAOYSA-N 0 1 404.514 4.120 20 0 HIADMN C[C@@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000435612664 860916766 /nfs/dbraw/zinc/91/67/66/860916766.db2.gz YKFNDFIHTLXZEV-QGZVFWFLSA-N 0 1 405.502 4.034 20 0 HIADMN O=C([C@H](N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccccc1)N1CCCCC1 ZINC000435674393 860953875 /nfs/dbraw/zinc/95/38/75/860953875.db2.gz QLIWVIACNZWSNK-SVFBPWRDSA-N 0 1 400.469 4.487 20 0 HIADMN CCc1c(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)[nH]nc1-c1ccncc1 ZINC000435674836 860953941 /nfs/dbraw/zinc/95/39/41/860953941.db2.gz IGHAGIVNDUUIEH-UHFFFAOYSA-N 0 1 412.881 4.033 20 0 HIADMN Cc1[nH]c(S(=O)(=O)Cc2nc(-c3ccccc3)cs2)nc1Cc1ccccc1 ZINC000435682643 860963426 /nfs/dbraw/zinc/96/34/26/860963426.db2.gz NSWBQCJVVHVGAL-UHFFFAOYSA-N 0 1 409.536 4.406 20 0 HIADMN O=S(=O)(Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)c1cncc(Cl)c1 ZINC000435717558 861001268 /nfs/dbraw/zinc/00/12/68/861001268.db2.gz ORZXMVKULOCPJL-UHFFFAOYSA-N 0 1 416.755 4.199 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(Sc3ccncc3)cc2)[nH]n1 ZINC000435782031 861057091 /nfs/dbraw/zinc/05/70/91/861057091.db2.gz MNGGEIPEZFJWNQ-UHFFFAOYSA-N 0 1 404.499 4.226 20 0 HIADMN CC(C)C[C@H](NCc1ccc(N(C)c2ccccc2)nc1)C(=O)Nc1nccs1 ZINC000435790065 861062859 /nfs/dbraw/zinc/06/28/59/861062859.db2.gz ZOUWXKQCZIQYJF-IBGZPJMESA-N 0 1 409.559 4.449 20 0 HIADMN COc1ccc([C@H](CNC(=O)N(C)CC2(c3ccccc3)CC2)N2CCCC2)cc1 ZINC000435843672 861105568 /nfs/dbraw/zinc/10/55/68/861105568.db2.gz IBKRCGNUAFEVIW-QHCPKHFHSA-N 0 1 407.558 4.205 20 0 HIADMN Cc1cccc2nc(C3CCN(C(=O)NC[C@H](c4cccs4)N(C)C)CC3)oc21 ZINC000435852388 861113080 /nfs/dbraw/zinc/11/30/80/861113080.db2.gz WGNHQXXJZFEYNF-GOSISDBHSA-N 0 1 412.559 4.390 20 0 HIADMN C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1ccc(Br)s1 ZINC000435862117 861123093 /nfs/dbraw/zinc/12/30/93/861123093.db2.gz XTXXCHFAUXBSDE-SMDDNHRTSA-N 0 1 414.344 4.313 20 0 HIADMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000435883066 861141024 /nfs/dbraw/zinc/14/10/24/861141024.db2.gz IRZAJLRJEMPLAR-UONOGXRCSA-N 0 1 419.319 4.222 20 0 HIADMN Cc1ccc([C@H](NCCOc2ccccc2C(F)(F)F)[C@H](C)S(C)(=O)=O)cc1 ZINC000435898936 861154618 /nfs/dbraw/zinc/15/46/18/861154618.db2.gz SEESQWQRPGUIPI-HNAYVOBHSA-N 0 1 415.477 4.157 20 0 HIADMN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000437811183 863140094 /nfs/dbraw/zinc/14/00/94/863140094.db2.gz PTCTWHNSQMNIGL-QHAWAJNXSA-N 0 1 401.514 4.280 20 0 HIADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000437829612 863179294 /nfs/dbraw/zinc/17/92/94/863179294.db2.gz STMAUMHTZSLXBG-SFHVURJKSA-N 0 1 415.262 4.407 20 0 HIADMN CCc1ncsc1NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000437895223 863264579 /nfs/dbraw/zinc/26/45/79/863264579.db2.gz IGCGOWBDJVAYRR-UHFFFAOYSA-N 0 1 412.481 4.464 20 0 HIADMN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000437913599 863290697 /nfs/dbraw/zinc/29/06/97/863290697.db2.gz HBRULJLEBVCRCZ-IBGZPJMESA-N 0 1 422.573 4.370 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437925470 863302668 /nfs/dbraw/zinc/30/26/68/863302668.db2.gz JBOJONSONGIDAV-FCHUYYIVSA-N 0 1 406.574 4.280 20 0 HIADMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccncc1 ZINC000437941860 863317219 /nfs/dbraw/zinc/31/72/19/863317219.db2.gz NGICTFGHMGHERF-UHFFFAOYSA-N 0 1 421.400 4.154 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc2ccc(C)nc21 ZINC000438014595 863374451 /nfs/dbraw/zinc/37/44/51/863374451.db2.gz CCEITNCZYYPOGK-UHFFFAOYSA-N 0 1 419.529 4.338 20 0 HIADMN CC(C)c1nnc(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)s1 ZINC000467830748 881664149 /nfs/dbraw/zinc/66/41/49/881664149.db2.gz OQPJGEABLYPISC-UHFFFAOYSA-N 0 1 413.286 4.788 20 0 HIADMN Cc1cc(C(=O)[C@H](C)N(CCO)[C@H]2CCc3ccccc32)c(C)n1Cc1ccco1 ZINC000438112602 863526238 /nfs/dbraw/zinc/52/62/38/863526238.db2.gz HDCUYEQPXFGLBS-CYFREDJKSA-N 0 1 406.526 4.299 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000438170288 863593684 /nfs/dbraw/zinc/59/36/84/863593684.db2.gz PMNNVFQJPZPJQU-UHFFFAOYSA-N 0 1 424.545 4.270 20 0 HIADMN O=C(Nc1cccc(CN2CCCN(C(=O)C3CC3)CC2)c1)c1ccccc1Cl ZINC000438259387 863722838 /nfs/dbraw/zinc/72/28/38/863722838.db2.gz OTVZWCXLVUQUEU-UHFFFAOYSA-N 0 1 411.933 4.037 20 0 HIADMN O=C(N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)C1(Cc2ccc(F)cc2)CC1 ZINC000438259985 863726388 /nfs/dbraw/zinc/72/63/88/863726388.db2.gz NYQPWCRSQNOLRO-IBGZPJMESA-N 0 1 404.489 4.340 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000438357995 863823159 /nfs/dbraw/zinc/82/31/59/863823159.db2.gz MXHNYVROUCHAHK-IAOVAPTHSA-N 0 1 402.285 4.056 20 0 HIADMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(COCc3ccccc3)cc2)C[C@H](C)O1 ZINC000438373904 863832967 /nfs/dbraw/zinc/83/29/67/863832967.db2.gz KIESZCSTSUOOOK-BGYRXZFFSA-N 0 1 411.546 4.024 20 0 HIADMN C[C@H]1CN(CCCNC(=O)Nc2ccc(COCc3ccccc3)cc2)C[C@H](C)O1 ZINC000438373908 863833256 /nfs/dbraw/zinc/83/32/56/863833256.db2.gz KIESZCSTSUOOOK-PMACEKPBSA-N 0 1 411.546 4.024 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000438381186 863837529 /nfs/dbraw/zinc/83/75/29/863837529.db2.gz UDCHLEJDHKYWQU-USXIJHARSA-N 0 1 402.285 4.056 20 0 HIADMN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000438407517 863852703 /nfs/dbraw/zinc/85/27/03/863852703.db2.gz RDEMHBBSWAESJM-UHFFFAOYSA-N 0 1 414.509 4.074 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000438416507 863856181 /nfs/dbraw/zinc/85/61/81/863856181.db2.gz FGTMTHVEIFTEOG-GRDNDAEWSA-N 0 1 422.357 4.111 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)CC2)c1ccccc1Cl ZINC000438425785 863860150 /nfs/dbraw/zinc/86/01/50/863860150.db2.gz XDFAFGJLFKFSGA-FQEVSTJZSA-N 0 1 414.937 4.429 20 0 HIADMN Cc1ccc(CSCC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438439715 863867469 /nfs/dbraw/zinc/86/74/69/863867469.db2.gz ALEVPQUCGXCECL-GOSISDBHSA-N 0 1 420.460 4.271 20 0 HIADMN Cc1ccc(C[C@H](C)C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438444388 863870533 /nfs/dbraw/zinc/87/05/33/863870533.db2.gz IYCBAIRGQRQRTP-KBXCAEBGSA-N 0 1 402.420 4.216 20 0 HIADMN COc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000438453176 863877184 /nfs/dbraw/zinc/87/71/84/863877184.db2.gz GEIIBBKFKQIMTB-OAHLLOKOSA-N 0 1 410.783 4.005 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccn1C1CCCC1 ZINC000438456512 863879657 /nfs/dbraw/zinc/87/96/57/863879657.db2.gz QHQUDWYRXGMSBD-QGZVFWFLSA-N 0 1 403.408 4.260 20 0 HIADMN O=C(C/C=C/c1cccc(F)c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438458151 863882107 /nfs/dbraw/zinc/88/21/07/863882107.db2.gz JTGXVPVLDJMMOI-PSQUURQMSA-N 0 1 404.367 4.272 20 0 HIADMN COc1cc(CN(C)[C@@H]2CCOc3ccc(Br)cc32)cc(OC)c1OC ZINC000438474942 863892748 /nfs/dbraw/zinc/89/27/48/863892748.db2.gz XANKLKAJAUWXDD-MRXNPFEDSA-N 0 1 422.319 4.431 20 0 HIADMN CC(C)c1cnc(-c2ccc(NC(=O)N3CCC(N4CCO[C@H](C)C4)CC3)cc2)o1 ZINC000438481831 863898440 /nfs/dbraw/zinc/89/84/40/863898440.db2.gz WNWLWNYKDWTQTD-QGZVFWFLSA-N 0 1 412.534 4.182 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(C(F)(F)F)c(C)c3)n2)cc1 ZINC000438544273 863972618 /nfs/dbraw/zinc/97/26/18/863972618.db2.gz GDLMXVUAVPGFGQ-UHFFFAOYSA-N 0 1 405.380 4.129 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc(C(F)(F)F)c(C)c3)n[nH]2)cc1 ZINC000438544273 863972627 /nfs/dbraw/zinc/97/26/27/863972627.db2.gz GDLMXVUAVPGFGQ-UHFFFAOYSA-N 0 1 405.380 4.129 20 0 HIADMN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1c[nH]nc1[C@@H]1CCOC1 ZINC000438577979 864009897 /nfs/dbraw/zinc/00/98/97/864009897.db2.gz SOCLDYGNNYOPFD-LLVKDONJSA-N 0 1 419.304 4.052 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(Br)c(F)c2)N2CCCC2)o1 ZINC000438620956 864046360 /nfs/dbraw/zinc/04/63/60/864046360.db2.gz RCIKGYGTOVONIR-MRXNPFEDSA-N 0 1 410.287 4.448 20 0 HIADMN CCCCOc1cccc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000438648293 864087227 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O=S(=O)(Nc1cccc(CC(F)(F)F)c1)c1ccc(F)cc1Br ZINC000438776370 864270738 /nfs/dbraw/zinc/27/07/38/864270738.db2.gz ZOGLXAPNUDTNTC-UHFFFAOYSA-N 0 1 412.202 4.494 20 0 HIADMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCC(=O)N1CCC[C@@H]1C)CC2 ZINC000438781134 864276925 /nfs/dbraw/zinc/27/69/25/864276925.db2.gz JVMMWJFBNFWSES-QMHKHESXSA-N 0 1 414.571 4.114 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c(Br)c1 ZINC000438794501 864286859 /nfs/dbraw/zinc/28/68/59/864286859.db2.gz SQPURJMAWVMIFY-UHFFFAOYSA-N 0 1 412.305 4.160 20 0 HIADMN COCc1cccc(S(=O)(=O)Nc2ccc(OC)cc2OCc2ccccc2)c1 ZINC000438816500 864309370 /nfs/dbraw/zinc/30/93/70/864309370.db2.gz ZSISETNTHNGTGW-UHFFFAOYSA-N 0 1 413.495 4.221 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C(=O)Nc3ccc(OC(C)C)c(C)c3)[nH]c2c1 ZINC000438845067 864340763 /nfs/dbraw/zinc/34/07/63/864340763.db2.gz ZCQKXHPTHRACBM-FQEVSTJZSA-N 0 1 420.513 4.269 20 0 HIADMN Cc1ccsc1CCCC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000438891587 864372903 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400.954 4.492 20 0 HIADMN COc1ccc([C@@H]2CCCN2C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000439195778 864622707 /nfs/dbraw/zinc/62/27/07/864622707.db2.gz BEKVUXLNFJYTQK-JPYJTQIMSA-N 0 1 408.546 4.162 20 0 HIADMN COc1ccccc1C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C(C)C ZINC000439198553 864624575 /nfs/dbraw/zinc/62/45/75/864624575.db2.gz KOOURTMXLKLHAN-WMZHIEFXSA-N 0 1 424.589 4.182 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000439201148 864626301 /nfs/dbraw/zinc/62/63/01/864626301.db2.gz QNMLWRILSVSKSA-HXUWFJFHSA-N 0 1 406.574 4.418 20 0 HIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)NC1CCC2(CCOCC2)CC1 ZINC000439236270 864652247 /nfs/dbraw/zinc/65/22/47/864652247.db2.gz KBYZDPLNWAGYQQ-UHFFFAOYSA-N 0 1 419.997 4.343 20 0 HIADMN COc1cccc([C@H](CNC(=O)N(CCC(F)(F)F)CC2CC2)N2CCCC2)c1 ZINC000439260119 864677864 /nfs/dbraw/zinc/67/78/64/864677864.db2.gz RRQAIZSIZKOILN-IBGZPJMESA-N 0 1 413.484 4.206 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC([C@H]2CCCO2)CC1 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UAHHRWGVZFTJJX-PKOBYXMFSA-N 0 1 413.949 4.005 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cc(Cl)ccc2N(C)C)CC1 ZINC000439380311 864811099 /nfs/dbraw/zinc/81/10/99/864811099.db2.gz AOQZWHXQYQVLKC-HNNXBMFYSA-N 0 1 401.942 4.148 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC000439398642 864818545 /nfs/dbraw/zinc/81/85/45/864818545.db2.gz VOXDLPPEJJCPQS-INIZCTEOSA-N 0 1 424.936 4.268 20 0 HIADMN Cc1ncc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c(C2CC2)n1 ZINC000439401832 864819714 /nfs/dbraw/zinc/81/97/14/864819714.db2.gz IVTOCDROHMHFAB-QGZVFWFLSA-N 0 1 407.440 4.106 20 0 HIADMN CC(C)c1ccc([C@H](NC(=O)CN[C@@H](c2nnc[nH]2)c2ccccc2)C(C)C)cc1 ZINC000439452089 864836376 /nfs/dbraw/zinc/83/63/76/864836376.db2.gz LUTRDWFVWYNBQC-DHIUTWEWSA-N 0 1 405.546 4.121 20 0 HIADMN Cc1cc(C)cc(NC(=O)[C@@H](C)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000439451794 864836785 /nfs/dbraw/zinc/83/67/85/864836785.db2.gz YQHNZVFNZDYBFU-RDTXWAMCSA-N 0 1 417.435 4.147 20 0 HIADMN 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20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000445157633 869249315 /nfs/dbraw/zinc/24/93/15/869249315.db2.gz ALZCZOCUCLDTAZ-HNNXBMFYSA-N 0 1 404.383 4.430 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000445159780 869249373 /nfs/dbraw/zinc/24/93/73/869249373.db2.gz AWDXTSXELYWWDC-OAHLLOKOSA-N 0 1 404.383 4.430 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000445215760 869279824 /nfs/dbraw/zinc/27/98/24/869279824.db2.gz NFWICRMPDQFXLU-SJLPKXTDSA-N 0 1 408.905 4.171 20 0 HIADMN CC[C@H](c1ccc(Cl)cc1Cl)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000445254793 869308748 /nfs/dbraw/zinc/30/87/48/869308748.db2.gz WSJSZJABEBWKOY-LJQANCHMSA-N 0 1 409.361 4.320 20 0 HIADMN C[C@@H](NC(=O)Cc1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1)c1ccccc1 ZINC000445289322 869341814 /nfs/dbraw/zinc/34/18/14/869341814.db2.gz BFPFYXMNTUGESH-CYBMUJFWSA-N 0 1 407.861 4.200 20 0 HIADMN CCOc1ccc(NC(=O)Cc2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 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FTTHQUXVQSJVNA-RUZDIDTESA-N 0 1 404.558 4.046 20 0 HIADMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000445915947 869886151 /nfs/dbraw/zinc/88/61/51/869886151.db2.gz NZMCTVZLABODFZ-IUODEOHRSA-N 0 1 409.274 4.293 20 0 HIADMN COc1ccc(Cn2nc(C)c(CN(C)C[C@H]3OCCc4ccccc43)c2C)cc1 ZINC000468412455 882356549 /nfs/dbraw/zinc/35/65/49/882356549.db2.gz OMWBYZYJWFAKAY-RUZDIDTESA-N 0 1 405.542 4.303 20 0 HIADMN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cn[nH]c3-c3cccc(Cl)c3)cc2)n1 ZINC000446020437 869987556 /nfs/dbraw/zinc/98/75/56/869987556.db2.gz MAJZMMGPOODFJT-UHFFFAOYSA-N 0 1 405.845 4.041 20 0 HIADMN CC(C)CN(C(=O)CCCC(=O)c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000446046275 870009334 /nfs/dbraw/zinc/00/93/34/870009334.db2.gz KMPULYVWPUSBHN-UHFFFAOYSA-N 0 1 423.395 4.381 20 0 HIADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000446050034 870011660 /nfs/dbraw/zinc/01/16/60/870011660.db2.gz APAJQGSTIRKDFW-QGHHPUGFSA-N 0 1 416.403 4.018 20 0 HIADMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000446050029 870011777 /nfs/dbraw/zinc/01/17/77/870011777.db2.gz APAJQGSTIRKDFW-BMLIUANNSA-N 0 1 416.403 4.018 20 0 HIADMN O=C(Nc1ccsc1Cl)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000446049654 870011977 /nfs/dbraw/zinc/01/19/77/870011977.db2.gz DGLQITKAPSKJHC-CYBMUJFWSA-N 0 1 409.298 4.233 20 0 HIADMN COC(=O)[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)c1ccc(Cl)cc1Cl ZINC000446051356 870013605 /nfs/dbraw/zinc/01/36/05/870013605.db2.gz FVBVDOTXZYCMGF-AWEZNQCLSA-N 0 1 410.282 4.491 20 0 HIADMN C[C@H](c1ccc(NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1)N1CCOCC1 ZINC000446062139 870022284 /nfs/dbraw/zinc/02/22/84/870022284.db2.gz NCLKELUFVASOKT-OAHLLOKOSA-N 0 1 410.905 4.376 20 0 HIADMN COC(=O)[C@H](Sc1nc(-c2ccccc2O)n[nH]1)c1cccc(Cl)c1Cl ZINC000446082328 870030394 /nfs/dbraw/zinc/03/03/94/870030394.db2.gz XTKKCHWJYKTYJY-CQSZACIVSA-N 0 1 410.282 4.491 20 0 HIADMN COC(=O)c1cccc(F)c1NC(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000446098943 870046777 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HIADMN Cc1cc(CC(=O)N[C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)[nH]n1 ZINC000446276520 870212203 /nfs/dbraw/zinc/21/22/03/870212203.db2.gz MCOSRRUZUSRDSC-LLVKDONJSA-N 0 1 419.348 4.332 20 0 HIADMN CCCc1c(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cnn1-c1cccc(C)c1 ZINC000446403055 870304924 /nfs/dbraw/zinc/30/49/24/870304924.db2.gz QVAOIGPSXIHNLV-NRFANRHFSA-N 0 1 415.501 4.162 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)N[C@H]1CCc2cc(F)ccc21 ZINC000446493833 870408048 /nfs/dbraw/zinc/40/80/48/870408048.db2.gz REURMZSIZGBFIL-IRXDYDNUSA-N 0 1 419.382 4.039 20 0 HIADMN CC[C@@H](CNC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000446504235 870421305 /nfs/dbraw/zinc/42/13/05/870421305.db2.gz FVMSQYKDZRSVAR-KSSFIOAISA-N 0 1 417.435 4.406 20 0 HIADMN Cc1nc(-c2ccc([C@H](C)NC(=O)N[C@@H](c3nnc[nH]3)c3ccccc3)cc2)cs1 ZINC000446504448 870421596 /nfs/dbraw/zinc/42/15/96/870421596.db2.gz HEDJLKBPJMTMOJ-VBKZILBWSA-N 0 1 418.526 4.386 20 0 HIADMN Cc1ccccc1C[C@@H](C)NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000446506125 870422868 /nfs/dbraw/zinc/42/28/68/870422868.db2.gz SAKYVBPTLGGUKJ-KDOFPFPSSA-N 0 1 417.435 4.152 20 0 HIADMN CC[C@H](NC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000446518989 870437527 /nfs/dbraw/zinc/43/75/27/870437527.db2.gz SIRSWKWNDVMAFU-DLBZAZTESA-N 0 1 403.408 4.363 20 0 HIADMN CC[C@H](Cc1ccccc1)NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000446550253 870463500 /nfs/dbraw/zinc/46/35/00/870463500.db2.gz XVPBVJROWDQTQM-MSOLQXFVSA-N 0 1 417.435 4.233 20 0 HIADMN CCOc1cccc2cc([C@@H](C)NC(=O)N[C@@H](c3nnc[nH]3)c3ccccc3)oc21 ZINC000446566740 870478660 /nfs/dbraw/zinc/47/86/60/870478660.db2.gz VFFRSUORSPCTJW-AUUYWEPGSA-N 0 1 405.458 4.099 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccncc1OC)c1ccccc1Cl ZINC000446571154 870483381 /nfs/dbraw/zinc/48/33/81/870483381.db2.gz HKRIOPRQWIBTOZ-KXBFYZLASA-N 0 1 404.942 4.187 20 0 HIADMN Cc1ccc(Oc2ccccc2CNC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000446604246 870508974 /nfs/dbraw/zinc/50/89/74/870508974.db2.gz KOWAVYJYFJSGDD-JOCHJYFZSA-N 0 1 413.481 4.494 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(CSC(C)C)c2C)cc1F ZINC000446639064 870547965 /nfs/dbraw/zinc/54/79/65/870547965.db2.gz SKWBDIQDNDZVER-UHFFFAOYSA-N 0 1 411.520 4.363 20 0 HIADMN CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000446642067 870552920 /nfs/dbraw/zinc/55/29/20/870552920.db2.gz LVXVPBNOZDGHSH-QUCCMNQESA-N 0 1 409.559 4.381 20 0 HIADMN Cc1ccc(OCc2nc(CC(=O)N(C)Cc3cc(C(C)(C)C)[nH]n3)cs2)cc1 ZINC000446651695 870566992 /nfs/dbraw/zinc/56/69/92/870566992.db2.gz GDICABGYBHYSOC-UHFFFAOYSA-N 0 1 412.559 4.252 20 0 HIADMN O=C(N[C@H](Cc1ccccc1)c1ccccc1F)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000446675800 870588040 /nfs/dbraw/zinc/58/80/40/870588040.db2.gz JNJDMJQKJPXLBC-YADHBBJMSA-N 0 1 415.472 4.316 20 0 HIADMN Cc1cc([C@H](C)NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1F ZINC000446676746 870590639 /nfs/dbraw/zinc/59/06/39/870590639.db2.gz NPLJPOPLNXUBCM-YVEFUNNKSA-N 0 1 421.398 4.421 20 0 HIADMN 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COc1ccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)c(OC2CCCC2)c1 ZINC000477846344 892905907 /nfs/dbraw/zinc/90/59/07/892905907.db2.gz GPVDVBGLRVXQJZ-IBGZPJMESA-N 0 1 417.575 4.180 20 0 HIADMN Cc1c([C@@H](C)NC[C@H](CO)Cc2ccc(F)c(F)c2)nnn1-c1ccc(Cl)cc1 ZINC000477914865 892996590 /nfs/dbraw/zinc/99/65/90/892996590.db2.gz BCIJDLCWHNULCU-CZUORRHYSA-N 0 1 420.891 4.009 20 0 HIADMN C[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(Br)c(F)c1 ZINC000477914660 892996806 /nfs/dbraw/zinc/99/68/06/892996806.db2.gz NBFQDIVSQZSGIC-KPZWWZAWSA-N 0 1 409.274 4.179 20 0 HIADMN CC(C)CN1CCN(C(=O)c2nc(C(C)C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000504978548 913720683 /nfs/dbraw/zinc/72/06/83/913720683.db2.gz GKMPEBRHZNDDEN-UHFFFAOYSA-N 0 1 424.376 4.111 20 0 HIADMN C[C@@H](NCCCOc1ccc(C(F)(F)F)cn1)c1ncc(Br)s1 ZINC000477920869 893006191 /nfs/dbraw/zinc/00/61/91/893006191.db2.gz GUQXFQGWSPLDBM-SECBINFHSA-N 0 1 410.259 4.439 20 0 HIADMN OC[C@H](CN[C@@H](c1cccnc1)c1ccc(F)cc1F)Cc1ccc(F)c(F)c1 ZINC000477927239 893014850 /nfs/dbraw/zinc/01/48/50/893014850.db2.gz ACFXDPXYQISFHG-NYHFZMIOSA-N 0 1 404.407 4.168 20 0 HIADMN OC[C@@H](CN[C@H](c1cccnc1)c1ccc(F)cc1F)Cc1ccc(F)c(F)c1 ZINC000477927236 893016423 /nfs/dbraw/zinc/01/64/23/893016423.db2.gz ACFXDPXYQISFHG-IVZQSRNASA-N 0 1 404.407 4.168 20 0 HIADMN OC[C@@H](CN[C@@H](c1cccnc1)c1ccc(F)cc1F)Cc1ccc(F)c(F)c1 ZINC000477927246 893016650 /nfs/dbraw/zinc/01/66/50/893016650.db2.gz ACFXDPXYQISFHG-QRQCRPRQSA-N 0 1 404.407 4.168 20 0 HIADMN C[C@@H](NCc1ccc(S(=O)(=O)CCO)cc1)c1ccc(-c2cccs2)cc1 ZINC000477937299 893027268 /nfs/dbraw/zinc/02/72/68/893027268.db2.gz AQSGSWXGQXDFDP-MRXNPFEDSA-N 0 1 401.553 4.032 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)cc1F ZINC000504984144 913729030 /nfs/dbraw/zinc/72/90/30/913729030.db2.gz ZCWACQCHWLQPJK-UHFFFAOYSA-N 0 1 417.378 4.289 20 0 HIADMN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000477990575 893090857 /nfs/dbraw/zinc/09/08/57/893090857.db2.gz DQXUTXVDKNPDIN-IERDGZPVSA-N 0 1 401.514 4.294 20 0 HIADMN CC(=O)c1ccc(OCCCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000478017368 893133670 /nfs/dbraw/zinc/13/36/70/893133670.db2.gz SPGFQGGKKPDHRV-NRFANRHFSA-N 0 1 418.497 4.197 20 0 HIADMN CC(=O)c1ccc(OCCCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000478017368 893133682 /nfs/dbraw/zinc/13/36/82/893133682.db2.gz SPGFQGGKKPDHRV-NRFANRHFSA-N 0 1 418.497 4.197 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000478041682 893178897 /nfs/dbraw/zinc/17/88/97/893178897.db2.gz OGOWJBQWPJWGML-XUZZJYLKSA-N 0 1 406.574 4.147 20 0 HIADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NC[C@]3(C)C[C@H]3c3ccccc3)c2C1 ZINC000478042857 893181540 /nfs/dbraw/zinc/18/15/40/893181540.db2.gz UFJFBAIZWCNPLN-DOPYIHRPSA-N 0 1 419.569 4.295 20 0 HIADMN Cc1cc(C)c(NC(=O)NCCc2nnc(-c3ccccc3)[nH]2)c(Br)c1 ZINC000478120364 893288907 /nfs/dbraw/zinc/28/89/07/893288907.db2.gz JAXPFWKNIWITPN-UHFFFAOYSA-N 0 1 414.307 4.215 20 0 HIADMN Cc1ccc([C@H](Cn2ccnc2)N[C@@H]2CCCN(c3ccccc3F)C2=O)c(C)c1 ZINC000478175006 893341177 /nfs/dbraw/zinc/34/11/77/893341177.db2.gz IYRBZCRXUIOXRB-YADHBBJMSA-N 0 1 406.505 4.166 20 0 HIADMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2ccnc3ccnn32)c1 ZINC000478194447 893357413 /nfs/dbraw/zinc/35/74/13/893357413.db2.gz IBYJCFLEFYWRNM-UHFFFAOYSA-N 0 1 412.472 4.319 20 0 HIADMN Cc1ccn(-c2ccc(C(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)cc2)n1 ZINC000478218329 893378565 /nfs/dbraw/zinc/37/85/65/893378565.db2.gz AIWHXJUVTURZSL-QFIPXVFZSA-N 0 1 408.933 4.401 20 0 HIADMN CCc1c(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cnn1C(CC)CC ZINC000478235110 893397019 /nfs/dbraw/zinc/39/70/19/893397019.db2.gz WFTYSAMLJIDCHU-HSZRJFAPSA-N 0 1 412.578 4.382 20 0 HIADMN CCc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccnc3ccnn32)cc1 ZINC000478239376 893404980 /nfs/dbraw/zinc/40/49/80/893404980.db2.gz YFDXZPXUUSVTHE-UHFFFAOYSA-N 0 1 408.509 4.434 20 0 HIADMN O=C1[C@@H](NCc2cnc(-c3ccncc3)s2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000478259996 893444180 /nfs/dbraw/zinc/44/41/80/893444180.db2.gz QTSRQBPJVSVAFN-KRWDZBQOSA-N 0 1 419.337 4.407 20 0 HIADMN CCc1c(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cnn1C(CC)CC ZINC000478269418 893463293 /nfs/dbraw/zinc/46/32/93/893463293.db2.gz WDKCBEZIQCVAPZ-QFIPXVFZSA-N 0 1 412.578 4.382 20 0 HIADMN CCc1ccc(-c2nn(Cc3ccccc3)cc2CNCc2ccnc3ccnn32)cc1 ZINC000478271522 893466095 /nfs/dbraw/zinc/46/60/95/893466095.db2.gz DNFURLPPYCKGNG-UHFFFAOYSA-N 0 1 422.536 4.493 20 0 HIADMN Cc1ccccc1-n1ncc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1C(C)C ZINC000478276340 893475651 /nfs/dbraw/zinc/47/56/51/893475651.db2.gz GUUHYRNKFNPLEP-OAQYLSRUSA-N 0 1 406.530 4.464 20 0 HIADMN Cc1ccc([C@H](CNC(=O)c2ccccc2NCc2cccnc2)N2CCCC2)o1 ZINC000478290625 893501231 /nfs/dbraw/zinc/50/12/31/893501231.db2.gz KONPOPQNCQLIHV-QFIPXVFZSA-N 0 1 404.514 4.162 20 0 HIADMN CC(C)Oc1cc(Br)ccc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000478302536 893522125 /nfs/dbraw/zinc/52/21/25/893522125.db2.gz GUFXBJFZFDJKMX-UHFFFAOYSA-N 0 1 406.255 4.182 20 0 HIADMN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000478314383 893539445 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HIADMN Cn1cc(-c2cc(F)ccc2NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000478680275 893933084 /nfs/dbraw/zinc/93/30/84/893933084.db2.gz YVPQKSXZJFJREQ-UHFFFAOYSA-N 0 1 418.252 4.473 20 0 HIADMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000478740979 894016408 /nfs/dbraw/zinc/01/64/08/894016408.db2.gz AOICBSISWNHQHY-UHFFFAOYSA-N 0 1 422.510 4.168 20 0 HIADMN Cn1nc(-c2ccsc2)cc1NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000505123174 913829210 /nfs/dbraw/zinc/82/92/10/913829210.db2.gz LMBSKFLAERABKK-UHFFFAOYSA-N 0 1 402.277 4.040 20 0 HIADMN CN(C)[C@@H](CNC(=O)N1CCc2cc(Br)cc(F)c21)c1ccsc1 ZINC000478768161 894044160 /nfs/dbraw/zinc/04/41/60/894044160.db2.gz GRBKFHNLCBLVTD-HNNXBMFYSA-N 0 1 412.328 4.025 20 0 HIADMN C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)Nc1cccc2ccccc21 ZINC000478779453 894055860 /nfs/dbraw/zinc/05/58/60/894055860.db2.gz XNGYDGOLAZPMCT-NNIZRDCOSA-N 0 1 423.463 4.007 20 0 HIADMN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc(Br)cc2nc[nH]c21 ZINC000505141392 913838918 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HIADMN COc1cccc([C@H](CNC(=O)c2ccccc2NCc2ccco2)N2CCCC2)c1 ZINC000479038863 894300717 /nfs/dbraw/zinc/30/07/17/894300717.db2.gz GMVQWEVSMFUWCX-DEOSSOPVSA-N 0 1 419.525 4.467 20 0 HIADMN CS(=O)(=O)c1cccc(Cl)c1CNCCc1cccc(OCC(F)(F)F)c1 ZINC000479052986 894312074 /nfs/dbraw/zinc/31/20/74/894312074.db2.gz KKYQFQCCDHBSAN-UHFFFAOYSA-N 0 1 421.868 4.017 20 0 HIADMN COc1ccc([C@@H](CNC(=O)C2CCC(OC(F)F)CC2)N2CCCCC2)cc1 ZINC000505170002 913858523 /nfs/dbraw/zinc/85/85/23/913858523.db2.gz YDYCMHPPZYBOMJ-LYBXBRPPSA-N 0 1 410.505 4.136 20 0 HIADMN O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)cn1)c1ccc2ncsc2c1 ZINC000479076660 894342085 /nfs/dbraw/zinc/34/20/85/894342085.db2.gz ISPDNUWBCIXLFB-UHFFFAOYSA-N 0 1 401.444 4.424 20 0 HIADMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCc1cccc(COC(C)(C)C)c1 ZINC000479084109 894351066 /nfs/dbraw/zinc/35/10/66/894351066.db2.gz XDDPXKKLMNHNJX-QGZVFWFLSA-N 0 1 404.576 4.117 20 0 HIADMN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000479113358 894380937 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C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2)c1nnc[nH]1 ZINC000479512978 894825953 /nfs/dbraw/zinc/82/59/53/894825953.db2.gz QIUYINPFMIEPHR-LLVKDONJSA-N 0 1 419.316 4.057 20 0 HIADMN CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)CCC2 ZINC000479517600 894828716 /nfs/dbraw/zinc/82/87/16/894828716.db2.gz PLTRBHBNHLYBNX-ROUUACIJSA-N 0 1 416.591 4.463 20 0 HIADMN COc1c(Br)cccc1CNCc1cccc(NC(=O)C2CCC2)c1 ZINC000479546962 894847568 /nfs/dbraw/zinc/84/75/68/894847568.db2.gz TYZJKHAZUOLVSE-UHFFFAOYSA-N 0 1 403.320 4.486 20 0 HIADMN COc1ccc([C@H](C)N[C@@H](C)C(=O)N2Cc3ccccc3C2)cc1Br ZINC000479554471 894853071 /nfs/dbraw/zinc/85/30/71/894853071.db2.gz LKURUEBATIPBKS-KBPBESRZSA-N 0 1 403.320 4.039 20 0 HIADMN O=C(NCc1cnc[nH]1)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC000479595470 894876590 /nfs/dbraw/zinc/87/65/90/894876590.db2.gz UZKMOSAZTMYGNP-CVWDYBRWSA-N 0 1 409.374 4.148 20 0 HIADMN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NCc3cnc[nH]3)c12 ZINC000479608674 894883485 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Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000479705914 894999698 /nfs/dbraw/zinc/99/96/98/894999698.db2.gz NCWZQCMYSHAAID-UHFFFAOYSA-N 0 1 424.936 4.230 20 0 HIADMN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000479743228 895042579 /nfs/dbraw/zinc/04/25/79/895042579.db2.gz KLRGWIQVCKZLED-SFHVURJKSA-N 0 1 401.869 4.475 20 0 HIADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCC(F)(F)C1 ZINC000479753696 895052994 /nfs/dbraw/zinc/05/29/94/895052994.db2.gz SVDYIXMKZNBNMO-LJQANCHMSA-N 0 1 413.512 4.060 20 0 HIADMN COc1cccc(-c2cc(C(=O)N(C)Cc3ccccc3Br)n[nH]2)c1 ZINC000479830899 895150181 /nfs/dbraw/zinc/15/01/81/895150181.db2.gz QKZMQDKVLUEEGT-UHFFFAOYSA-N 0 1 400.276 4.120 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)CSc1nccc2ccccc21)N1CCCC1 ZINC000479837317 895162015 /nfs/dbraw/zinc/16/20/15/895162015.db2.gz FKRCJHXDPWTZHQ-NRFANRHFSA-N 0 1 421.566 4.289 20 0 HIADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000479840670 895170263 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4.366 20 0 HIADMN CCC(CC)n1ncc(C(=O)N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)c1C ZINC000482078179 897516248 /nfs/dbraw/zinc/51/62/48/897516248.db2.gz PNYIXYYIBDFVPY-PKTZIBPZSA-N 0 1 410.562 4.269 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)Cc3cccc(C(F)(F)F)c3)CCN2C2CC2)c1 ZINC000482084847 897524389 /nfs/dbraw/zinc/52/43/89/897524389.db2.gz QDKHEEPWCQKKAG-IFMALSPDSA-N 0 1 418.459 4.351 20 0 HIADMN CCn1cc(CC(=O)N[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)c2ccccc21 ZINC000482085996 897526261 /nfs/dbraw/zinc/52/62/61/897526261.db2.gz WJGWJQCQELGASX-JYFHCDHNSA-N 0 1 417.553 4.307 20 0 HIADMN CCn1cc(CC(=O)N[C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)c2ccccc21 ZINC000482085997 897526555 /nfs/dbraw/zinc/52/65/55/897526555.db2.gz WJGWJQCQELGASX-OZXSUGGESA-N 0 1 417.553 4.307 20 0 HIADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000482091567 897534064 /nfs/dbraw/zinc/53/40/64/897534064.db2.gz WOJIXXNZZWXWLV-GOSISDBHSA-N 0 1 416.978 4.296 20 0 HIADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(OC3CCCCC3)cc2)c1 ZINC000482105426 897554496 /nfs/dbraw/zinc/55/44/96/897554496.db2.gz HSZDTSBFZCLFGK-KRWDZBQOSA-N 0 1 402.560 4.157 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)c3cccc([C@@H]4CCCOC4)c3)CCN2C2CC2)c1 ZINC000482108775 897558554 /nfs/dbraw/zinc/55/85/54/897558554.db2.gz ZHYIRCZZNWQFMU-NQHRYMMQSA-N 0 1 420.553 4.297 20 0 HIADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000482117391 897569842 /nfs/dbraw/zinc/56/98/42/897569842.db2.gz CPPVAHKRNFFWNT-LJQANCHMSA-N 0 1 416.978 4.296 20 0 HIADMN COc1ccc(CN[C@H]2CCCOc3ccc(Br)cc32)cc1NC(C)=O ZINC000482118695 897571075 /nfs/dbraw/zinc/57/10/75/897571075.db2.gz FYHYSMWRQYYLTK-KRWDZBQOSA-N 0 1 419.319 4.420 20 0 HIADMN Cc1sc(CNC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)nc1C(C)C ZINC000482136799 897595780 /nfs/dbraw/zinc/59/57/80/897595780.db2.gz MEURWWHBPDHUHS-UHFFFAOYSA-N 0 1 401.561 4.077 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000482142234 897602375 /nfs/dbraw/zinc/60/23/75/897602375.db2.gz VWSYZBKODULJIN-LIRRHRJNSA-N 0 1 424.442 4.349 20 0 HIADMN COc1ccccc1SCC(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000482162330 897625867 /nfs/dbraw/zinc/62/58/67/897625867.db2.gz GOHMCQGEPYGMIU-QVKFZJNVSA-N 0 1 422.953 4.389 20 0 HIADMN CN1CCN(c2ccc(NC(=O)c3ccnn3C3CCCC3)c(C(F)(F)F)c2)CC1 ZINC000482170997 897636641 /nfs/dbraw/zinc/63/66/41/897636641.db2.gz OTSIAQJQYZWUDB-UHFFFAOYSA-N 0 1 421.467 4.021 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3cccc(C[S@](=O)C(C)(C)C)c3)[nH]n2)c1 ZINC000482189688 897661053 /nfs/dbraw/zinc/66/10/53/897661053.db2.gz BIMDBRIHSNTLHN-LJAQVGFWSA-N 0 1 411.527 4.385 20 0 HIADMN COC(=O)c1ccc(Cl)c(CNCCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000482241062 897722478 /nfs/dbraw/zinc/72/24/78/897722478.db2.gz DRUVSWVPTSQBTM-UHFFFAOYSA-N 0 1 406.269 4.162 20 0 HIADMN COC(=O)c1ccc(Cl)c(CNCc2ccc(COC3CCOCC3)cc2)c1 ZINC000482242546 897723877 /nfs/dbraw/zinc/72/38/77/897723877.db2.gz TXSPLSXSHNDQGM-UHFFFAOYSA-N 0 1 403.906 4.112 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000505500183 914186400 /nfs/dbraw/zinc/18/64/00/914186400.db2.gz HNLAJQVJSCOJIV-HUUCEWRRSA-N 0 1 417.296 4.207 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 ZINC000505500183 914186408 /nfs/dbraw/zinc/18/64/08/914186408.db2.gz HNLAJQVJSCOJIV-HUUCEWRRSA-N 0 1 417.296 4.207 20 0 HIADMN CCC[C@@H](N[C@@H](C)c1cnn(Cc2ccccc2)c1)C(=O)N1CCc2sccc2C1 ZINC000482259058 897742204 /nfs/dbraw/zinc/74/22/04/897742204.db2.gz RYROYVMODFKZBG-PGRDOPGGSA-N 0 1 422.598 4.397 20 0 HIADMN C[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-c2ccncc2)cc1 ZINC000482262177 897745614 /nfs/dbraw/zinc/74/56/14/897745614.db2.gz YIAYQUOKGFZFLU-MSOLQXFVSA-N 0 1 409.555 4.411 20 0 HIADMN CC(C)N1CCc2nc(CN3CCO[C@H](c4ccc(F)cc4Cl)C3)sc2C1 ZINC000482270613 897757280 /nfs/dbraw/zinc/75/72/80/897757280.db2.gz LNBNZTZZAKSWPX-SFHVURJKSA-N 0 1 409.958 4.276 20 0 HIADMN COc1cc([C@@H](C)NC(=O)N[C@H]2CCCc3cn[nH]c32)ccc1OCCC(C)C ZINC000482301998 897798425 /nfs/dbraw/zinc/79/84/25/897798425.db2.gz BAUYKYBKDXVPPV-QAPCUYQASA-N 0 1 400.523 4.281 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)c3occc3CSc3ccccc3)n2)cc1 ZINC000505506074 914194236 /nfs/dbraw/zinc/19/42/36/914194236.db2.gz JZZRMIHXMGMWBC-UHFFFAOYSA-N 0 1 420.494 4.296 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)c3occc3CSc3ccccc3)n[nH]2)cc1 ZINC000505506074 914194252 /nfs/dbraw/zinc/19/42/52/914194252.db2.gz JZZRMIHXMGMWBC-UHFFFAOYSA-N 0 1 420.494 4.296 20 0 HIADMN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(CN(C)C)ccn2)o1 ZINC000482334822 897840381 /nfs/dbraw/zinc/84/03/81/897840381.db2.gz PDUWQGMFNUKCMQ-UHFFFAOYSA-N 0 1 401.470 4.150 20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N[C@@H]3CCCc4cn[nH]c43)s2)cc1 ZINC000482351566 897864601 /nfs/dbraw/zinc/86/46/01/897864601.db2.gz PXVGNPWZEJJPMX-SUMWQHHRSA-N 0 1 411.531 4.288 20 0 HIADMN Cc1ccc(C(=O)Nc2cc(CN(C)C)ccn2)cc1NC(=O)Nc1ccccc1 ZINC000482373282 897896042 /nfs/dbraw/zinc/89/60/42/897896042.db2.gz YCGJOHVJQTUNFO-UHFFFAOYSA-N 0 1 403.486 4.348 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)n[nH]1 ZINC000482374191 897897822 /nfs/dbraw/zinc/89/78/22/897897822.db2.gz CDJCQWKYRVHNNJ-SKDRFNHKSA-N 0 1 421.370 4.193 20 0 HIADMN CN(Cc1ccccc1)C1CN(C(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000482393171 897927071 /nfs/dbraw/zinc/92/70/71/897927071.db2.gz MSBYPHLARWCADS-UHFFFAOYSA-N 0 1 410.262 4.075 20 0 HIADMN COc1ccc(OC)c(CNC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000505515014 914203866 /nfs/dbraw/zinc/20/38/66/914203866.db2.gz URJHVRVZFSUVIC-UHFFFAOYSA-N 0 1 406.320 4.262 20 0 HIADMN CCc1nc([C@@H](C)NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)n[nH]1 ZINC000482414162 897959704 /nfs/dbraw/zinc/95/97/04/897959704.db2.gz MQROWJTTWMDDBF-PELKAZGASA-N 0 1 409.334 4.050 20 0 HIADMN O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)N1CCC(c2cnc[nH]2)CC1 ZINC000482453420 898021059 /nfs/dbraw/zinc/02/10/59/898021059.db2.gz WVLJSJIDSDNVOS-OAHLLOKOSA-N 0 1 418.366 4.204 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)CCCC(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000505520364 914212576 /nfs/dbraw/zinc/21/25/76/914212576.db2.gz PPLIBTVTLYYBNA-UHFFFAOYSA-N 0 1 420.513 4.075 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)CCCC(=O)c3c(C)cc(C)cc3C)n[nH]2)cc1 ZINC000505520364 914212584 /nfs/dbraw/zinc/21/25/84/914212584.db2.gz PPLIBTVTLYYBNA-UHFFFAOYSA-N 0 1 420.513 4.075 20 0 HIADMN C[C@H]1CN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C[C@]2(CCCOC2)O1 ZINC000482453878 898022792 /nfs/dbraw/zinc/02/27/92/898022792.db2.gz LURIFCZYFHEOGE-SBUREZEXSA-N 0 1 414.933 4.362 20 0 HIADMN COc1cc(CN2CCC(c3ccc(Cl)cc3)CC2)cc(Cl)c1OCC(N)=O ZINC000482495954 898074978 /nfs/dbraw/zinc/07/49/78/898074978.db2.gz LZZSZBKIVHCBDN-UHFFFAOYSA-N 0 1 423.340 4.246 20 0 HIADMN CCOc1c(Cl)cc(CN2CCC(c3nnc4n3CCCC4)CC2)cc1OC ZINC000482495484 898075201 /nfs/dbraw/zinc/07/52/01/898075201.db2.gz ONCRYBSLHCEGSZ-UHFFFAOYSA-N 0 1 404.942 4.055 20 0 HIADMN FC(F)Oc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1Br ZINC000482506496 898088045 /nfs/dbraw/zinc/08/80/45/898088045.db2.gz ZNEUVHKXGDMHHD-HNNXBMFYSA-N 0 1 409.234 4.048 20 0 HIADMN FC(F)Oc1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc1Br ZINC000482506499 898088323 /nfs/dbraw/zinc/08/83/23/898088323.db2.gz ZNEUVHKXGDMHHD-OAHLLOKOSA-N 0 1 409.234 4.048 20 0 HIADMN Cc1ccc([C@H](CNC(=O)CCc2ccc(Br)cc2)N2CCCC2)o1 ZINC000482519003 898105319 /nfs/dbraw/zinc/10/53/19/898105319.db2.gz LNVMLMWLPLEWRA-SFHVURJKSA-N 0 1 405.336 4.236 20 0 HIADMN COc1ccc(-c2cc(-c3nc(-c4ccc(N5CCCC5)cc4)no3)[nH]n2)cc1OC ZINC000482539626 898126617 /nfs/dbraw/zinc/12/66/17/898126617.db2.gz CXCCTNZIBVRLPX-UHFFFAOYSA-N 0 1 417.469 4.411 20 0 HIADMN COCCNc1ccc(CN[C@@H](C)c2ccccc2I)cc1 ZINC000482543017 898131622 /nfs/dbraw/zinc/13/16/22/898131622.db2.gz KIAPDUYJWOFFEY-AWEZNQCLSA-N 0 1 410.299 4.200 20 0 HIADMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000482558519 898151109 /nfs/dbraw/zinc/15/11/09/898151109.db2.gz LGAZQYKTCPZQNY-FQEVSTJZSA-N 0 1 401.938 4.196 20 0 HIADMN Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H](CCO)c1ccccc1 ZINC000482602348 898203302 /nfs/dbraw/zinc/20/33/02/898203302.db2.gz IIQLINZKDBUVCQ-HXUWFJFHSA-N 0 1 400.320 4.157 20 0 HIADMN CCCN(C(=O)NC[C@H](c1cccc(OC)c1)N(C)C)[C@@H]1CCCc2cccnc21 ZINC000482629678 898232582 /nfs/dbraw/zinc/23/25/82/898232582.db2.gz MDMDSNFNWQOJNW-FGZHOGPDSA-N 0 1 410.562 4.192 20 0 HIADMN C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cnn(C(C)(C)C)c2)c1 ZINC000482665403 898268706 /nfs/dbraw/zinc/26/87/06/898268706.db2.gz REYSDOUBARJEFZ-INIZCTEOSA-N 0 1 401.530 4.202 20 0 HIADMN CCOc1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc(Cl)c1OC ZINC000482707261 898306591 /nfs/dbraw/zinc/30/65/91/898306591.db2.gz QWTDTCGTZROGSV-XLIONFOSSA-N 0 1 424.875 4.087 20 0 HIADMN CN1C(=O)C[C@H](NCc2ccc(-c3ccncc3)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000482733361 898335665 /nfs/dbraw/zinc/33/56/65/898335665.db2.gz NXIBNOFNZLNVCG-GMAHTHKFSA-N 0 1 411.427 4.228 20 0 HIADMN CC(C)c1[nH]ccc1C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000505548053 914250192 /nfs/dbraw/zinc/25/01/92/914250192.db2.gz XTIAIAMYPIRGDC-UHFFFAOYSA-N 0 1 416.569 4.390 20 0 HIADMN 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Cc1cccc([C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c2ccccn2)c1 ZINC000508261441 917078666 /nfs/dbraw/zinc/07/86/66/917078666.db2.gz ZYTBJQULCGBNPV-CTNGQTDRSA-N 0 1 416.529 4.064 20 0 HIADMN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000508261281 917079023 /nfs/dbraw/zinc/07/90/23/917079023.db2.gz YPXQXOGZKIXIQA-MOPGFXCFSA-N 0 1 409.534 4.200 20 0 HIADMN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000508261281 917079034 /nfs/dbraw/zinc/07/90/34/917079034.db2.gz YPXQXOGZKIXIQA-MOPGFXCFSA-N 0 1 409.534 4.200 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)Sc2nc(C=Cc3ccccc3)n[nH]2)c(OC)c1 ZINC000508279720 917094236 /nfs/dbraw/zinc/09/42/36/917094236.db2.gz OGKWKVWPKQOCQM-FWLQQBITSA-N 0 1 410.499 4.112 20 0 HIADMN C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(-c2cccnc2)cc1 ZINC000508298758 917107725 /nfs/dbraw/zinc/10/77/25/917107725.db2.gz JODPBOPJDFRAET-IIBYNOLFSA-N 0 1 416.529 4.394 20 0 HIADMN C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(-c2ccncc2)cc1 ZINC000508300182 917109923 /nfs/dbraw/zinc/10/99/23/917109923.db2.gz MDBHGUFOSTYHIU-HRAATJIYSA-N 0 1 416.529 4.394 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2cn(C)nc2C(F)(F)F)c1 ZINC000508304733 917113212 /nfs/dbraw/zinc/11/32/12/917113212.db2.gz WVPYHKARTLEDFT-UHFFFAOYSA-N 0 1 402.420 4.323 20 0 HIADMN CC(C)(CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1c(F)cccc1Cl ZINC000508305393 917115584 /nfs/dbraw/zinc/11/55/84/917115584.db2.gz LERCJMPEUWHKMM-CQSZACIVSA-N 0 1 419.932 4.341 20 0 HIADMN Cc1[nH]ncc1CCCNC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 ZINC000508339012 917142766 /nfs/dbraw/zinc/14/27/66/917142766.db2.gz JRMKOSQQXHZGTB-UHFFFAOYSA-N 0 1 421.332 4.092 20 0 HIADMN C[C@H](CNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccc(F)cc1F ZINC000508344263 917146251 /nfs/dbraw/zinc/14/62/51/917146251.db2.gz SICDHYBEYPAPOC-AUUYWEPGSA-N 0 1 411.456 4.400 20 0 HIADMN C[C@H](CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1F ZINC000508344263 917146263 /nfs/dbraw/zinc/14/62/63/917146263.db2.gz SICDHYBEYPAPOC-AUUYWEPGSA-N 0 1 411.456 4.400 20 0 HIADMN COc1ccc(C(=O)N[C@H]2CCC(C)(C)C2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000508411892 917200596 /nfs/dbraw/zinc/20/05/96/917200596.db2.gz MHDXSZUPCYMRRV-SFHVURJKSA-N 0 1 416.543 4.113 20 0 HIADMN Cc1cc2cc(CNC(=O)C(=O)Nc3cccc4c3CN([C@H](C)C(C)C)C4)ccc2[nH]1 ZINC000508442426 917228582 /nfs/dbraw/zinc/22/85/82/917228582.db2.gz BYVKODBFHADAAS-QGZVFWFLSA-N 0 1 418.541 4.091 20 0 HIADMN CC[C@@H](NC(=O)N1CCC(CCCN2CCOCC2)CC1)c1ccc(Cl)s1 ZINC000508446696 917231317 /nfs/dbraw/zinc/23/13/17/917231317.db2.gz AFHRLTYXDCAXJW-QGZVFWFLSA-N 0 1 414.015 4.387 20 0 HIADMN COc1cc(Br)c(CNc2nccn2Cc2ccccc2)c(OC)c1 ZINC000508458598 917242505 /nfs/dbraw/zinc/24/25/05/917242505.db2.gz OQKYKCFPZGPEDU-UHFFFAOYSA-N 0 1 402.292 4.323 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000508463434 917248426 /nfs/dbraw/zinc/24/84/26/917248426.db2.gz ANYXGSJAIRLKBO-INIZCTEOSA-N 0 1 416.325 4.245 20 0 HIADMN Brc1ccc(Cn2ccnc2NCc2cc(-c3cccnc3)n[nH]2)cc1 ZINC000508499928 917283752 /nfs/dbraw/zinc/28/37/52/917283752.db2.gz AGRFYBDHKKLISU-UHFFFAOYSA-N 0 1 409.291 4.091 20 0 HIADMN O=C(NCCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000508514071 917299294 /nfs/dbraw/zinc/29/92/94/917299294.db2.gz URCRQKQNODRSGM-NRFANRHFSA-N 0 1 414.513 4.432 20 0 HIADMN O=C(NCCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000508514071 917299302 /nfs/dbraw/zinc/29/93/02/917299302.db2.gz URCRQKQNODRSGM-NRFANRHFSA-N 0 1 414.513 4.432 20 0 HIADMN COc1cccc([C@H](C)N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)c1 ZINC000508536104 917317177 /nfs/dbraw/zinc/31/71/77/917317177.db2.gz XSXGUNRQZNTZDC-INIZCTEOSA-N 0 1 411.937 4.027 20 0 HIADMN CC(C)COC[C@@H](NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1ccco1 ZINC000508542626 917321855 /nfs/dbraw/zinc/32/18/55/917321855.db2.gz CRJGDDBLVWCNMP-RTBURBONSA-N 0 1 423.517 4.325 20 0 HIADMN CC(C)COC[C@@H](NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1ccco1 ZINC000508542626 917321869 /nfs/dbraw/zinc/32/18/69/917321869.db2.gz CRJGDDBLVWCNMP-RTBURBONSA-N 0 1 423.517 4.325 20 0 HIADMN Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C ZINC000508552839 917329988 /nfs/dbraw/zinc/32/99/88/917329988.db2.gz WHNRMCPRDCAPPV-KRWDZBQOSA-N 0 1 406.534 4.178 20 0 HIADMN Cc1ccc(SCc2nnc(N3CCN(Cc4ccccc4C)CC3)n2C)cc1 ZINC000508582886 917352816 /nfs/dbraw/zinc/35/28/16/917352816.db2.gz NJFNMRJRUYWLJD-UHFFFAOYSA-N 0 1 407.587 4.046 20 0 HIADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN(Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000508616078 917384548 /nfs/dbraw/zinc/38/45/48/917384548.db2.gz BDFWWMMMBSAXSO-UHFFFAOYSA-N 0 1 422.960 4.465 20 0 HIADMN Cc1nc(COc2ccc(CN[C@H](C[S@](C)=O)c3ccccc3)cc2)cs1 ZINC000508641900 917407305 /nfs/dbraw/zinc/40/73/05/917407305.db2.gz ZQSOPXVDGFQDBC-ZBLYBZFDSA-N 0 1 400.569 4.240 20 0 HIADMN Cc1nc(COc2ccc(CN[C@@H](C[S@](C)=O)c3ccccc3)cc2)cs1 ZINC000508641897 917407522 /nfs/dbraw/zinc/40/75/22/917407522.db2.gz ZQSOPXVDGFQDBC-IDISGSTGSA-N 0 1 400.569 4.240 20 0 HIADMN C[S@](=O)C[C@@H](NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000508650320 917415921 /nfs/dbraw/zinc/41/59/21/917415921.db2.gz SSXSKKNLGCVSAV-WRHNGFHOSA-N 0 1 407.461 4.101 20 0 HIADMN COc1ccc(C2=NN(C(=O)CNC(C)(C)c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000508649958 917416288 /nfs/dbraw/zinc/41/62/88/917416288.db2.gz SDTOVMPWHOHYPL-QFIPXVFZSA-N 0 1 417.509 4.491 20 0 HIADMN CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000508740460 917500608 /nfs/dbraw/zinc/50/06/08/917500608.db2.gz ULNJNZARJDPIPS-UHFFFAOYSA-N 0 1 418.990 4.430 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)n[nH]1 ZINC000508850130 917602643 /nfs/dbraw/zinc/60/26/43/917602643.db2.gz FCBRQHFZRDRGSL-SUNYJGFJSA-N 0 1 419.957 4.500 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)n[nH]1 ZINC000508850127 917602760 /nfs/dbraw/zinc/60/27/60/917602760.db2.gz FCBRQHFZRDRGSL-DEYYWGMASA-N 0 1 419.957 4.500 20 0 HIADMN Cc1cc(Br)cc(C)c1N1CCC[C@@H](N2CCC(CCCO)CC2)C1=O 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HIADMN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000509103561 917842394 /nfs/dbraw/zinc/84/23/94/917842394.db2.gz QAQJPINGBOFMIU-UHFFFAOYSA-N 0 1 416.812 4.049 20 0 HIADMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2c(F)ccc(O)c2F)c1 ZINC000509239077 917933186 /nfs/dbraw/zinc/93/31/86/917933186.db2.gz ZXYSRRNSPKSLFR-CYBMUJFWSA-N 0 1 407.436 4.235 20 0 HIADMN C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000509314351 917990816 /nfs/dbraw/zinc/99/08/16/917990816.db2.gz AUOZZUSUQKJBCV-OAHLLOKOSA-N 0 1 405.502 4.039 20 0 HIADMN CCCN(C(=O)c1cccs1)C1CCN(CCC(=O)c2ccc(OC)cc2)CC1 ZINC000509331909 918001564 /nfs/dbraw/zinc/00/15/64/918001564.db2.gz QCQYQCZKJFBZBT-UHFFFAOYSA-N 0 1 414.571 4.346 20 0 HIADMN COc1cc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc(OC)c1OC ZINC000509357947 918022548 /nfs/dbraw/zinc/02/25/48/918022548.db2.gz MEBLMEFBDBQRMK-VQIMIIECSA-N 0 1 412.313 4.109 20 0 HIADMN Cc1noc(C2CCN(Cc3cn(-c4ccc(Br)cc4)nc3C)CC2)n1 ZINC000509371030 918035423 /nfs/dbraw/zinc/03/54/23/918035423.db2.gz IUNSXIZJWYYXEF-UHFFFAOYSA-N 0 1 416.323 4.014 20 0 HIADMN O=C(CC(F)(F)F)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000509389339 918056374 /nfs/dbraw/zinc/05/63/74/918056374.db2.gz UEMWDUDRNKUFHM-UHFFFAOYSA-N 0 1 410.776 4.171 20 0 HIADMN COc1cc([C@@H](C)NS(=O)(=O)c2c(F)c(F)cc(F)c2F)ccc1OC(C)C ZINC000509420721 918081611 /nfs/dbraw/zinc/08/16/11/918081611.db2.gz ZULWNKONVUMRTD-SNVBAGLBSA-N 0 1 421.412 4.078 20 0 HIADMN Cc1ccc2nc(-c3ccc(NC(=O)CN4C[C@@H](C)N(C)C[C@@H]4C)cc3)sc2c1 ZINC000509431660 918089566 /nfs/dbraw/zinc/08/95/66/918089566.db2.gz NYVATUJGDDUISQ-SJORKVTESA-N 0 1 408.571 4.235 20 0 HIADMN Brc1cnc(CN[C@H]2CCc3ccccc3OC2)c(Br)c1 ZINC000509452923 918105803 /nfs/dbraw/zinc/10/58/03/918105803.db2.gz YJDBLXFZFUQQPY-ZDUSSCGKSA-N 0 1 412.125 4.090 20 0 HIADMN COc1cccc(-c2c[nH]cc2C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)c1 ZINC000509498020 918144962 /nfs/dbraw/zinc/14/49/62/918144962.db2.gz KWMAJJNAYNTWQS-HSZRJFAPSA-N 0 1 419.525 4.266 20 0 HIADMN 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418.310 4.031 20 0 HIADMN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000513816626 922139809 /nfs/dbraw/zinc/13/98/09/922139809.db2.gz RAWPMTAVLHTBLR-UHFFFAOYSA-N 0 1 412.467 4.078 20 0 HIADMN COc1ccc(CN(C(=O)NC[C@@H](c2cccs2)N(C)C)[C@H](C)C2CC2)cc1 ZINC000513905324 922228118 /nfs/dbraw/zinc/22/81/18/922228118.db2.gz JIWTYKFFPJENAS-UZLBHIALSA-N 0 1 401.576 4.370 20 0 HIADMN COc1ccc(CN(C(=O)NC[C@@H](c2cccs2)N(C)C)[C@@H](C)C2CC2)cc1 ZINC000513905321 922228448 /nfs/dbraw/zinc/22/84/48/922228448.db2.gz JIWTYKFFPJENAS-JXFKEZNVSA-N 0 1 401.576 4.370 20 0 HIADMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2F)n[nH]1 ZINC000513926177 922249296 /nfs/dbraw/zinc/24/92/96/922249296.db2.gz QQBUMGSGDYYSEG-NSHDSACASA-N 0 1 401.667 4.036 20 0 HIADMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)n[nH]1 ZINC000513927792 922249538 /nfs/dbraw/zinc/24/95/38/922249538.db2.gz LZBFWAOMMQTUFB-SFHVURJKSA-N 0 1 418.526 4.395 20 0 HIADMN Cc1ccc([C@H](CNC(=O)Nc2ccccc2OCC(F)(F)F)N2CCCC2)o1 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409.530 4.045 20 0 HIADMN CCN(Cc1c(F)cccc1F)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000514163270 922502403 /nfs/dbraw/zinc/50/24/03/922502403.db2.gz VXZOXRFHEBIONJ-QFIPXVFZSA-N 0 1 417.500 4.342 20 0 HIADMN COc1cccc([C@H](CNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)N(C)C)c1 ZINC000514192838 922532191 /nfs/dbraw/zinc/53/21/91/922532191.db2.gz LCZDMPABYJPRRD-KUHUBIRLSA-N 0 1 409.452 4.377 20 0 HIADMN CCN(Cc1c(F)cccc1F)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000514201844 922539785 /nfs/dbraw/zinc/53/97/85/922539785.db2.gz NFNCBJWJEFYWMS-NRFANRHFSA-N 0 1 417.500 4.342 20 0 HIADMN CC(=O)Nc1ccc(S(=O)(=O)CCCN(Cc2ccc(C)s2)C(C)C)cc1 ZINC000514219575 922552610 /nfs/dbraw/zinc/55/26/10/922552610.db2.gz TZHZXSRKDSLQEJ-UHFFFAOYSA-N 0 1 408.589 4.089 20 0 HIADMN CCN(CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)Cc1ccc2ccccc2c1 ZINC000514221687 922557086 /nfs/dbraw/zinc/55/70/86/922557086.db2.gz FWDWUTVQKRDVJK-UHFFFAOYSA-N 0 1 424.566 4.484 20 0 HIADMN Cc1ccc2c(CN[C@H](c3nnc[nH]3)c3cccc(C(F)(F)F)c3)ccc(O)c2n1 ZINC000514227122 922562234 /nfs/dbraw/zinc/56/22/34/922562234.db2.gz YEGSMESEAXXYBU-SFHVURJKSA-N 0 1 413.403 4.265 20 0 HIADMN C[C@H](C(=O)NCCc1ccccc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000514227978 922564002 /nfs/dbraw/zinc/56/40/02/922564002.db2.gz YAXFXQXGVSDZAO-MRXNPFEDSA-N 0 1 411.933 4.408 20 0 HIADMN COc1cc(C)c(CNCc2ccc(Oc3c(OC)cccc3OC)nc2)c(C)n1 ZINC000514246209 922586339 /nfs/dbraw/zinc/58/63/39/922586339.db2.gz IGYLBVFRGCRDFD-UHFFFAOYSA-N 0 1 409.486 4.201 20 0 HIADMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000514407093 922613617 /nfs/dbraw/zinc/61/36/17/922613617.db2.gz OCPOCCHISMXBPK-PKOBYXMFSA-N 0 1 400.592 4.402 20 0 HIADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1OCc1ccncc1 ZINC000514499390 922650409 /nfs/dbraw/zinc/65/04/09/922650409.db2.gz OTMRCHKZPZRCBA-FQEVSTJZSA-N 0 1 407.539 4.289 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccsc1 ZINC000514503790 922656417 /nfs/dbraw/zinc/65/64/17/922656417.db2.gz SHMHBIQNCHMECM-QGZVFWFLSA-N 0 1 422.526 4.498 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N[C@H](c1ccccc1)C(F)(F)F)N1CCCC1 ZINC000514565172 922704814 /nfs/dbraw/zinc/70/48/14/922704814.db2.gz VXSSMEBLXDMGHH-UYAOXDASSA-N 0 1 421.463 4.435 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc4nnc(C(C)C)n4c3)[nH]c2c1 ZINC000514588599 922717722 /nfs/dbraw/zinc/71/77/22/922717722.db2.gz OMWAHPIVRZKITG-SFHVURJKSA-N 0 1 403.490 4.406 20 0 HIADMN CO[C@H](C)c1nc(CN2CCCN(C/C=C/c3ccc(F)c(F)c3)CC2)cs1 ZINC000514634261 922737440 /nfs/dbraw/zinc/73/74/40/922737440.db2.gz YIYHIRDAQFQKOJ-LLCTXKFZSA-N 0 1 407.530 4.350 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NCc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000514688421 922754596 /nfs/dbraw/zinc/75/45/96/922754596.db2.gz MONPELMTQYBIQA-UHFFFAOYSA-N 0 1 419.573 4.441 20 0 HIADMN Cc1cc(CN[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc(C)c1O ZINC000514692062 922758139 /nfs/dbraw/zinc/75/81/39/922758139.db2.gz LFRUARWODZLYAE-LJQANCHMSA-N 0 1 406.448 4.481 20 0 HIADMN O=C(Nc1c(Br)cc(F)cc1Br)c1ccc2cncn2c1 ZINC000514744323 922778280 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HIADMN COc1ccc(-c2ocnc2C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc1 ZINC000514966430 922857910 /nfs/dbraw/zinc/85/79/10/922857910.db2.gz PKPVEZSQFFJMNQ-UHFFFAOYSA-N 0 1 423.538 4.460 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)c4ccncc34)[nH]n2)cc1 ZINC000514981601 922865490 /nfs/dbraw/zinc/86/54/90/922865490.db2.gz ATCPOSYOAOPBHN-UHFFFAOYSA-N 0 1 413.481 4.022 20 0 HIADMN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nc(-c5ccco5)n[nH]4)cc3)o2)c1 ZINC000514995936 922871627 /nfs/dbraw/zinc/87/16/27/922871627.db2.gz ZLUSNEQKAVNAQS-UHFFFAOYSA-N 0 1 412.409 4.342 20 0 HIADMN COC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000515138652 922946228 /nfs/dbraw/zinc/94/62/28/922946228.db2.gz JJGGJIVIQUTHLK-IBGZPJMESA-N 0 1 401.894 4.085 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(F)cc2)ccc1OCC(C)C ZINC000515192188 922980670 /nfs/dbraw/zinc/98/06/70/922980670.db2.gz UKVMEWQWAYINDR-IAGOWNOFSA-N 0 1 402.510 4.225 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000515217846 922998628 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/nfs/dbraw/zinc/57/94/57/932579457.db2.gz ABFNBGQUEVLKTB-KRWDZBQOSA-N 0 1 403.511 4.378 20 0 HIADMN O=C(CCc1nc2ccccc2s1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534587905 932579464 /nfs/dbraw/zinc/57/94/64/932579464.db2.gz ABFNBGQUEVLKTB-KRWDZBQOSA-N 0 1 403.511 4.378 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000534648971 932621303 /nfs/dbraw/zinc/62/13/03/932621303.db2.gz MUGHSCXZOUAMIN-OAQYLSRUSA-N 0 1 403.482 4.099 20 0 HIADMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(C4CCCCC4)[nH]n3)C2)cc1 ZINC000534695514 932666529 /nfs/dbraw/zinc/66/65/29/932666529.db2.gz HTATYNHWCNXASH-SFHVURJKSA-N 0 1 423.561 4.440 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)C(=O)c2cc(C3CCCCC3)[nH]n2)c1 ZINC000534725660 932694102 /nfs/dbraw/zinc/69/41/02/932694102.db2.gz SIXPFYMRLJOHDQ-UHFFFAOYSA-N 0 1 401.507 4.016 20 0 HIADMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000534752504 932729021 /nfs/dbraw/zinc/72/90/21/932729021.db2.gz CLYSLQCKDJMJOI-JTHBVZDNSA-N 0 1 422.960 4.377 20 0 HIADMN COc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)o1 ZINC000534755925 932733766 /nfs/dbraw/zinc/73/37/66/932733766.db2.gz CQVSCBLZLBYPJI-AUSIDOKSSA-N 0 1 406.482 4.042 20 0 HIADMN COc1ccc(-c2nc(C)c(C(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)s2)cc1 ZINC000534756797 932734993 /nfs/dbraw/zinc/73/49/93/932734993.db2.gz MVEJHUNXMWDBLR-PMACEKPBSA-N 0 1 407.539 4.302 20 0 HIADMN CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)NCCCc1cn[nH]c1C)OCC3 ZINC000534760363 932739761 /nfs/dbraw/zinc/73/97/61/932739761.db2.gz ABJGNJIOSSZGNR-DEOSSOPVSA-N 0 1 408.546 4.079 20 0 HIADMN CCOc1ccc(F)c(NC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1F ZINC000534780360 932760638 /nfs/dbraw/zinc/76/06/38/932760638.db2.gz HCIWAZZEWBYVPI-UHFFFAOYSA-N 0 1 419.472 4.112 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000534814826 932787638 /nfs/dbraw/zinc/78/76/38/932787638.db2.gz CSCIHJJXIXJVCD-QGZVFWFLSA-N 0 1 403.573 4.104 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cc(-c3ccccc3)cnc2C)N(C)C)c1 ZINC000534822423 932793779 /nfs/dbraw/zinc/79/37/79/932793779.db2.gz BPWFKKZBQMAONQ-HSZRJFAPSA-N 0 1 404.514 4.490 20 0 HIADMN O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000534941274 932848760 /nfs/dbraw/zinc/84/87/60/932848760.db2.gz SVYUPFLLVUKLKM-UHFFFAOYSA-N 0 1 409.667 4.409 20 0 HIADMN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000534941789 932849528 /nfs/dbraw/zinc/84/95/28/932849528.db2.gz GMJQFVDJADANJA-UHFFFAOYSA-N 0 1 407.289 4.115 20 0 HIADMN CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000534952216 932855850 /nfs/dbraw/zinc/85/58/50/932855850.db2.gz WOYDHFZIXILTSC-QFBILLFUSA-N 0 1 404.514 4.281 20 0 HIADMN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000534952217 932856239 /nfs/dbraw/zinc/85/62/39/932856239.db2.gz WOYDHFZIXILTSC-VQIMIIECSA-N 0 1 404.514 4.281 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1F ZINC000534963444 932863405 /nfs/dbraw/zinc/86/34/05/932863405.db2.gz CENPHQSFSFIRMO-UHFFFAOYSA-N 0 1 420.488 4.461 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)n[nH]1 ZINC000534967779 932866265 /nfs/dbraw/zinc/86/62/65/932866265.db2.gz PMWWJLHNFSZPGU-OCCSQVGLSA-N 0 1 407.902 4.022 20 0 HIADMN COC(=O)c1cccc(NC(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000534967281 932866311 /nfs/dbraw/zinc/86/63/11/932866311.db2.gz SLQXZYOCUQGLTC-DNVCBOLYSA-N 0 1 419.884 4.080 20 0 HIADMN Cc1ncc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c(C(C)C)n1 ZINC000534968105 932866545 /nfs/dbraw/zinc/86/65/45/932866545.db2.gz NQBPJPHVHKTNAS-YWZLYKJASA-N 0 1 404.917 4.124 20 0 HIADMN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000534968731 932867545 /nfs/dbraw/zinc/86/75/45/932867545.db2.gz WMYHXSGPTSIOMI-UHFFFAOYSA-N 0 1 400.498 4.112 20 0 HIADMN O=C(Nc1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1)c1ccc(F)cc1 ZINC000534974402 932870945 /nfs/dbraw/zinc/87/09/45/932870945.db2.gz WUXGRELZZFCXLB-UHFFFAOYSA-N 0 1 417.487 4.213 20 0 HIADMN CC[C@H](C)n1ncc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1C1CC1 ZINC000534985097 932876378 /nfs/dbraw/zinc/87/63/78/932876378.db2.gz ICTKAETWZQIRHO-DLBZAZTESA-N 0 1 410.566 4.474 20 0 HIADMN CCc1nc([C@@H](C)NC(=O)c2c3c(nc4ccccc42)C(=Cc2ccco2)CC3)n[nH]1 ZINC000535021953 932886621 /nfs/dbraw/zinc/88/66/21/932886621.db2.gz ZMNSDQUAYCRJBS-JNINTMOKSA-N 0 1 413.481 4.486 20 0 HIADMN FC(F)(F)c1ccc2nnc([C@H]3CCCN(Cc4cnc(C5CC5)s4)C3)n2c1 ZINC000535067993 932896384 /nfs/dbraw/zinc/89/63/84/932896384.db2.gz HLXIPLUVVCGUNC-ZDUSSCGKSA-N 0 1 407.465 4.462 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N(Cc1ccccn1)C(C)C)N1CCCCC1 ZINC000535080978 932899680 /nfs/dbraw/zinc/89/96/80/932899680.db2.gz FKIMPRYRGTZUQN-QFIPXVFZSA-N 0 1 410.562 4.237 20 0 HIADMN CCC(=O)N1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000535082777 932899722 /nfs/dbraw/zinc/89/97/22/932899722.db2.gz FKJCXBSSBQSWTB-UHFFFAOYSA-N 0 1 416.569 4.351 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2Br)N2CCCC2)cc1 ZINC000535094355 932907991 /nfs/dbraw/zinc/90/79/91/932907991.db2.gz GYEUJISGGWJTQA-HXUWFJFHSA-N 0 1 417.347 4.333 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)[nH]2)c1 ZINC000535136868 932955771 /nfs/dbraw/zinc/95/57/71/932955771.db2.gz HMELIDYDQOFKDJ-UHFFFAOYSA-N 0 1 418.497 4.190 20 0 HIADMN CC1CCN([C@@H](CNC(=O)c2csc([C@H]3CCCO3)n2)c2cccs2)CC1 ZINC000535146389 932964887 /nfs/dbraw/zinc/96/48/87/932964887.db2.gz GOGDMMIZGWSXPP-DLBZAZTESA-N 0 1 405.589 4.259 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)[nH]2)c1 ZINC000535152082 932970879 /nfs/dbraw/zinc/97/08/79/932970879.db2.gz VCSCTTHTHCIPEX-UHFFFAOYSA-N 0 1 418.497 4.272 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3CCCC(C)(C)C3)CC2)c1C ZINC000535154458 932972497 /nfs/dbraw/zinc/97/24/97/932972497.db2.gz BDKKFNXXPKQWAH-LJQANCHMSA-N 0 1 401.595 4.346 20 0 HIADMN CCc1c(NC(=O)[C@H](C)C2CCOCC2)[nH]nc1-c1ccc(Br)cc1 ZINC000535156559 932974324 /nfs/dbraw/zinc/97/43/24/932974324.db2.gz QKHQPYMENJHYNS-GFCCVEGCSA-N 0 1 406.324 4.403 20 0 HIADMN CC(=O)N(c1nc(CN2CCN(C(C)C)CC2)cs1)c1c(C)cc(C)cc1C ZINC000535221978 933026367 /nfs/dbraw/zinc/02/63/67/933026367.db2.gz VJAFGSJCPATTIQ-UHFFFAOYSA-N 0 1 400.592 4.279 20 0 HIADMN CC[C@@H](NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1c(C)noc1C ZINC000535268906 933043337 /nfs/dbraw/zinc/04/33/37/933043337.db2.gz HGGXPEQQPOWOBZ-GOSISDBHSA-N 0 1 408.506 4.117 20 0 HIADMN CO[C@H](C)CN(Cc1coc(-c2ccc(I)cc2)n1)C(C)C ZINC000535280006 933046613 /nfs/dbraw/zinc/04/66/13/933046613.db2.gz KLAWGAGUOZHRJP-CYBMUJFWSA-N 0 1 414.287 4.192 20 0 HIADMN CO[C@@H](C)CN(Cc1coc(-c2ccc(I)cc2)n1)C(C)C ZINC000535280009 933046758 /nfs/dbraw/zinc/04/67/58/933046758.db2.gz KLAWGAGUOZHRJP-ZDUSSCGKSA-N 0 1 414.287 4.192 20 0 HIADMN CC[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)c1c(C)noc1C ZINC000535278419 933046780 /nfs/dbraw/zinc/04/67/80/933046780.db2.gz WSQZBDWMLLASFI-NHCUHLMSSA-N 0 1 414.550 4.278 20 0 HIADMN O=C(c1cccc2[nH]cnc21)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000535285612 933050452 /nfs/dbraw/zinc/05/04/52/933050452.db2.gz ZPHRXPOBPFMAFF-MRXNPFEDSA-N 0 1 417.250 4.145 20 0 HIADMN O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000535290720 933053498 /nfs/dbraw/zinc/05/34/98/933053498.db2.gz YVBOMAQUTIITTA-CQSZACIVSA-N 0 1 401.923 4.037 20 0 HIADMN Nc1nc(CN2CCC[C@@H]2Cn2cnc3ccccc32)nc2sc3c(c21)CCCC3 ZINC000535316258 933068640 /nfs/dbraw/zinc/06/86/40/933068640.db2.gz VYWUZRGLSBLSKX-OAHLLOKOSA-N 0 1 418.570 4.167 20 0 HIADMN COc1ccc(OCCCC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000535318219 933069111 /nfs/dbraw/zinc/06/91/11/933069111.db2.gz PYBAYSUFEOQURT-HXUWFJFHSA-N 0 1 406.486 4.003 20 0 HIADMN COc1ccc(OCCCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000535318219 933069117 /nfs/dbraw/zinc/06/91/17/933069117.db2.gz PYBAYSUFEOQURT-HXUWFJFHSA-N 0 1 406.486 4.003 20 0 HIADMN CCOc1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1OCC ZINC000535318388 933069239 /nfs/dbraw/zinc/06/92/39/933069239.db2.gz OWRLXOWXAGIJQZ-SFHVURJKSA-N 0 1 406.486 4.246 20 0 HIADMN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1OCC ZINC000535318388 933069245 /nfs/dbraw/zinc/06/92/45/933069245.db2.gz OWRLXOWXAGIJQZ-SFHVURJKSA-N 0 1 406.486 4.246 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cccc2c1CN(c1ccccn1)C2)c1cccc(F)c1 ZINC000535327969 933075230 /nfs/dbraw/zinc/07/52/30/933075230.db2.gz QIHYYJZJWGGHQB-JOCHJYFZSA-N 0 1 419.504 4.165 20 0 HIADMN Cc1cnc2c(cccc2S(=O)(=O)Nc2cccc3c2CN(c2nccs2)C3)c1 ZINC000535344250 933084700 /nfs/dbraw/zinc/08/47/00/933084700.db2.gz JLFRBXCKBLAIQL-UHFFFAOYSA-N 0 1 422.535 4.321 20 0 HIADMN COc1cc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)ccc1Cl ZINC000535408665 933121688 /nfs/dbraw/zinc/12/16/88/933121688.db2.gz JUCLBCMUVNKJEY-UHFFFAOYSA-N 0 1 415.921 4.415 20 0 HIADMN O=C(Nc1cc(Br)ccc1O)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000535414142 933124073 /nfs/dbraw/zinc/12/40/73/933124073.db2.gz YDLVVTIVFOSCQT-UHFFFAOYSA-N 0 1 424.201 4.399 20 0 HIADMN COc1ccc(Br)c(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000535418371 933125821 /nfs/dbraw/zinc/12/58/21/933125821.db2.gz AZOUPWGSEVFOKP-UHFFFAOYSA-N 0 1 410.218 4.453 20 0 HIADMN COCCOc1ncccc1CN[C@@H]1CCc2c1cc(Br)cc2Cl ZINC000535507186 933200735 /nfs/dbraw/zinc/20/07/35/933200735.db2.gz JUTNRRABCDVHGQ-QGZVFWFLSA-N 0 1 411.727 4.300 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCn2ccc3cc(Cl)ccc32)c1 ZINC000535510202 933203932 /nfs/dbraw/zinc/20/39/32/933203932.db2.gz HTPAFJOQRDTYGZ-UHFFFAOYSA-N 0 1 420.918 4.213 20 0 HIADMN O=C(Nc1cc(Cl)cc(Br)c1O)c1cnc([C@@H]2CCCO2)s1 ZINC000535525931 933215998 /nfs/dbraw/zinc/21/59/98/933215998.db2.gz YCMSXUJDWPCVHW-JTQLQIEISA-N 0 1 403.685 4.368 20 0 HIADMN COc1ccc(COCCCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000535529339 933220658 /nfs/dbraw/zinc/22/06/58/933220658.db2.gz MXRYXIWNGCOMAY-OAQYLSRUSA-N 0 1 409.486 4.359 20 0 HIADMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(N2CCCC2=O)ccc1Cl ZINC000535530011 933221155 /nfs/dbraw/zinc/22/11/55/933221155.db2.gz SYFUMBMWOBYPQL-UHFFFAOYSA-N 0 1 416.268 4.158 20 0 HIADMN CC(C)c1cc(Br)ccc1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000535539426 933232307 /nfs/dbraw/zinc/23/23/07/933232307.db2.gz 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ZINC000539216267 938820104 /nfs/dbraw/zinc/82/01/04/938820104.db2.gz CCJXRLUQHISUDM-LIRRHRJNSA-N 0 1 410.967 4.434 20 0 HIADMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2cccc(OC(F)F)c2)C(C)C)cc1 ZINC000539219127 938820378 /nfs/dbraw/zinc/82/03/78/938820378.db2.gz ALZJQSNHSFJWCZ-YCRPNKLZSA-N 0 1 406.473 4.461 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccc(OC(F)F)c1 ZINC000539221914 938820736 /nfs/dbraw/zinc/82/07/36/938820736.db2.gz FBTADMARVDIIIT-CABCVRRESA-N 0 1 417.456 4.093 20 0 HIADMN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000539220005 938820843 /nfs/dbraw/zinc/82/08/43/938820843.db2.gz VQVFAYOADQMGLB-INIZCTEOSA-N 0 1 403.473 4.486 20 0 HIADMN CCN(C(=O)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000539223268 938821066 /nfs/dbraw/zinc/82/10/66/938821066.db2.gz BYGKVDMALBBXGR-HOTGVXAUSA-N 0 1 418.509 4.112 20 0 HIADMN C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OCc2cccnc2)cc1 ZINC000539225563 938821426 /nfs/dbraw/zinc/82/14/26/938821426.db2.gz 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CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1OC(F)F ZINC000539251969 938826472 /nfs/dbraw/zinc/82/64/72/938826472.db2.gz GUJAYBPCJHGXOC-SCLBCKFNSA-N 0 1 405.445 4.314 20 0 HIADMN CCOc1ccccc1[C@@H](CC)N[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000539252742 938826818 /nfs/dbraw/zinc/82/68/18/938826818.db2.gz IDPLJSUGEAPUER-DNVCBOLYSA-N 0 1 413.518 4.120 20 0 HIADMN COc1cc([C@H](C)N[C@H](C)C(=O)NC2CCCCC2)ccc1OCc1ccncc1 ZINC000539257422 938828407 /nfs/dbraw/zinc/82/84/07/938828407.db2.gz UFKSJXLEWOXCBX-ZWKOTPCHSA-N 0 1 411.546 4.157 20 0 HIADMN COc1cc(C)c([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(OC(C)C)cc2)cc1OC ZINC000539263835 938829532 /nfs/dbraw/zinc/82/95/32/938829532.db2.gz VEEMQSMARHBPJG-ZWKOTPCHSA-N 0 1 414.546 4.327 20 0 HIADMN C[C@H](N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000539265054 938829758 /nfs/dbraw/zinc/82/97/58/938829758.db2.gz MMODECRDLQXISS-SJCJKPOMSA-N 0 1 414.374 4.362 20 0 HIADMN CCOc1ccc([C@@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)cc1OC ZINC000539265647 938829834 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HIADMN O=S1(=O)CCC[C@@H](NCc2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)C1 ZINC000539307583 938837962 /nfs/dbraw/zinc/83/79/62/938837962.db2.gz NQSLUDYCWSJPFE-LJQANCHMSA-N 0 1 424.522 4.333 20 0 HIADMN C[C@@H](NCc1cccc(C(=O)N2CCCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000539308813 938838302 /nfs/dbraw/zinc/83/83/02/938838302.db2.gz JHFRPIWRIBUOBN-LJQANCHMSA-N 0 1 405.542 4.290 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCc2nc3cc(F)ccc3o2)CC1 ZINC000539313071 938839338 /nfs/dbraw/zinc/83/93/38/938839338.db2.gz OIVQBDKEBSIYFP-HNNXBMFYSA-N 0 1 400.473 4.099 20 0 HIADMN COc1ccc(Cl)cc1[C@@H](CC(C)C)NCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000539315733 938839843 /nfs/dbraw/zinc/83/98/43/938839843.db2.gz LHFBMCYPOMUYES-QGZVFWFLSA-N 0 1 421.950 4.048 20 0 HIADMN COc1ccc([C@H]2CCCN2C(=O)CNC2(c3cccc(Cl)c3)CC2)cc1OC ZINC000539315997 938840147 /nfs/dbraw/zinc/84/01/47/938840147.db2.gz AYMLURWSGXQAAG-LJQANCHMSA-N 0 1 414.933 4.300 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc(-c2cccnc2)cc1 ZINC000539326348 938842003 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C[C@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccccc1C(F)(F)F ZINC000539345992 938845898 /nfs/dbraw/zinc/84/58/98/938845898.db2.gz MAZRVRIXLAUWRU-ZDUSSCGKSA-N 0 1 405.420 4.120 20 0 HIADMN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(CN2CCSCC2)cc1 ZINC000539345488 938845909 /nfs/dbraw/zinc/84/59/09/938845909.db2.gz CYJNPNXAGCNSSF-LEWJYISDSA-N 0 1 416.974 4.149 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)NCc3cccc(C(=O)NCC(C)C)c3)ccc2NC1=O ZINC000539359271 938848125 /nfs/dbraw/zinc/84/81/25/938848125.db2.gz PEMQJQAKMLDFES-IERDGZPVSA-N 0 1 409.530 4.033 20 0 HIADMN CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(C(=O)NCC(C)C)c3)ccc2NC1=O ZINC000539359272 938848174 /nfs/dbraw/zinc/84/81/74/938848174.db2.gz PEMQJQAKMLDFES-IIBYNOLFSA-N 0 1 409.530 4.033 20 0 HIADMN COc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccccc2C(F)(F)F)cc1OC ZINC000539361371 938848560 /nfs/dbraw/zinc/84/85/60/938848560.db2.gz SXMDFGYXPGUZDO-AWEZNQCLSA-N 0 1 410.436 4.032 20 0 HIADMN Cc1c([C@H](C)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cnn1-c1ccc(F)cc1 ZINC000539370258 938850219 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/nfs/dbraw/zinc/20/25/71/939202571.db2.gz GPKLRQUFCXFXCI-OLZOCXBDSA-N 0 1 422.407 4.068 20 0 HIADMN C[C@@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1cccc(OCc2ccccn2)c1 ZINC000540351341 939202954 /nfs/dbraw/zinc/20/29/54/939202954.db2.gz IORBQCOGUZSIBD-RTBURBONSA-N 0 1 401.510 4.289 20 0 HIADMN COc1ccccc1CNC(=O)[C@H](C)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000540352107 939203678 /nfs/dbraw/zinc/20/36/78/939203678.db2.gz PFNHJKWZSQGGMA-MOPGFXCFSA-N 0 1 419.525 4.025 20 0 HIADMN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000540353842 939205021 /nfs/dbraw/zinc/20/50/21/939205021.db2.gz FGUMHLLCOAYPGT-GOSISDBHSA-N 0 1 420.557 4.233 20 0 HIADMN CC[C@@H](NCC(=O)N(C)C)c1ccccc1OCc1ccccc1Br ZINC000540361277 939210268 /nfs/dbraw/zinc/21/02/68/939210268.db2.gz VWMPRMMOJJURPX-GOSISDBHSA-N 0 1 405.336 4.157 20 0 HIADMN C[C@@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000540363220 939211138 /nfs/dbraw/zinc/21/11/38/939211138.db2.gz OKJQVVDHMUUCDE-NWDGAFQWSA-N 0 1 401.816 4.354 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2cc(C(C)(C)C)no2)ccc1OCC(C)C ZINC000540366241 939211687 /nfs/dbraw/zinc/21/16/87/939211687.db2.gz NWHWAYUYKSSSOF-OAHLLOKOSA-N 0 1 403.523 4.305 20 0 HIADMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000540368867 939212972 /nfs/dbraw/zinc/21/29/72/939212972.db2.gz HMYVPQZPXOTTEP-SBOQHKNFSA-N 0 1 400.563 4.218 20 0 HIADMN C[C@@H](NCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000540369899 939214128 /nfs/dbraw/zinc/21/41/28/939214128.db2.gz FPIDTRXUAIKQOB-JLCFBVMHSA-N 0 1 412.486 4.172 20 0 HIADMN CCOc1cccc([C@H](C)NCC(=O)N[C@H](C)c2ccc(Br)cc2)c1 ZINC000540375768 939215832 /nfs/dbraw/zinc/21/58/32/939215832.db2.gz KCSKEVKXPNCFRD-LSDHHAIUSA-N 0 1 405.336 4.376 20 0 HIADMN CCOc1cccc([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000540375764 939216101 /nfs/dbraw/zinc/21/61/01/939216101.db2.gz KCSKEVKXPNCFRD-CABCVRRESA-N 0 1 405.336 4.376 20 0 HIADMN CCOc1cccc([C@H](C)NCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 ZINC000540376537 939216958 /nfs/dbraw/zinc/21/69/58/939216958.db2.gz HCHNQOKHBJVUMX-JXFKEZNVSA-N 0 1 407.470 4.300 20 0 HIADMN C[C@@H](NCCC(=O)Nc1ccc(F)cc1)c1cc2c(cc1Br)OCCO2 ZINC000540380336 939220194 /nfs/dbraw/zinc/22/01/94/939220194.db2.gz LGQDYLOGPPZBAJ-GFCCVEGCSA-N 0 1 423.282 4.039 20 0 HIADMN CCc1ccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000540388014 939224480 /nfs/dbraw/zinc/22/44/80/939224480.db2.gz MRTBLVZEZAWSBG-KRWDZBQOSA-N 0 1 402.498 4.186 20 0 HIADMN COc1cc(C)c([C@@H](C)NCC(=O)N(C)Cc2c(F)cccc2Cl)cc1OC ZINC000540393493 939232052 /nfs/dbraw/zinc/23/20/52/939232052.db2.gz LQMCCMHKQJBRHH-CQSZACIVSA-N 0 1 408.901 4.114 20 0 HIADMN CC(NCC(=O)Nc1ccccc1N1CCCC1=O)(c1ccccc1)c1ccccc1 ZINC000540406355 939237020 /nfs/dbraw/zinc/23/70/20/939237020.db2.gz RNZWTXFWDIUHEP-UHFFFAOYSA-N 0 1 413.521 4.305 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)CNC(C)(C)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000540414698 939240186 /nfs/dbraw/zinc/24/01/86/939240186.db2.gz OYSCSVRRLFPGAY-UHFFFAOYSA-N 0 1 411.399 4.266 20 0 HIADMN COc1ccccc1CN(C)C(=O)CN[C@H](COc1ccccc1)c1ccccc1 ZINC000540416772 939240912 /nfs/dbraw/zinc/24/09/12/939240912.db2.gz BTLAUVVLKUYCIZ-HSZRJFAPSA-N 0 1 404.510 4.064 20 0 HIADMN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2CN2CCC(O)CC2)ccc1C(C)C ZINC000540420329 939242323 /nfs/dbraw/zinc/24/23/23/939242323.db2.gz LRFZRQYRQDTVBO-IBGZPJMESA-N 0 1 410.558 4.481 20 0 HIADMN Cc1ccc(S[C@@H](C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c2ccccc2)c(C)c1 ZINC000540423290 939242830 /nfs/dbraw/zinc/24/28/30/939242830.db2.gz RCMRDUFSTKIGOA-UYAOXDASSA-N 0 1 407.543 4.056 20 0 HIADMN CCC[C@H](NCC(=O)N(C)Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1F ZINC000540426092 939245044 /nfs/dbraw/zinc/24/50/44/939245044.db2.gz CGOJCYXVBYYCLG-IBGZPJMESA-N 0 1 406.473 4.071 20 0 HIADMN Brc1cc2c(cc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1)OCCO2 ZINC000540428621 939245408 /nfs/dbraw/zinc/24/54/08/939245408.db2.gz YZBTUHYIQUYMGW-HNAYVOBHSA-N 0 1 418.331 4.478 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](c2ccc(F)cc2F)C(C)C)c1 ZINC000540427631 939245652 /nfs/dbraw/zinc/24/56/52/939245652.db2.gz UZPOUVOWBTVQCP-QFIPXVFZSA-N 0 1 417.500 4.372 20 0 HIADMN C[C@H](NCC(=O)NCCCN(C)c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000540431825 939246366 /nfs/dbraw/zinc/24/63/66/939246366.db2.gz FOGIAIIWAXIZHL-FQEVSTJZSA-N 0 1 402.542 4.042 20 0 HIADMN O=C(CNC1(c2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000540433293 939246944 /nfs/dbraw/zinc/24/69/44/939246944.db2.gz SNGLEORHPSNJMR-UHFFFAOYSA-N 0 1 422.481 4.064 20 0 HIADMN C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(-c2cccnc2)cc1 ZINC000540434509 939247246 /nfs/dbraw/zinc/24/72/46/939247246.db2.gz NDRGOXANIFDSQP-QGZVFWFLSA-N 0 1 414.509 4.163 20 0 HIADMN CN(Cc1cc(Br)cs1)C(=O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000540437850 939249433 /nfs/dbraw/zinc/24/94/33/939249433.db2.gz YGARFWUHZZLTMP-UHFFFAOYSA-N 0 1 417.319 4.272 20 0 HIADMN Cc1c([C@@H](C)N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cnn1-c1ccc(F)cc1 ZINC000540469579 939265745 /nfs/dbraw/zinc/26/57/45/939265745.db2.gz WJIPPVGYRKXPJH-OLZOCXBDSA-N 0 1 402.420 4.276 20 0 HIADMN COc1ccc([C@@H]2CCCCCN2C(=O)CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000540480440 939269432 /nfs/dbraw/zinc/26/94/32/939269432.db2.gz MTIZIFPGWNSNTE-JTHBVZDNSA-N 0 1 412.578 4.249 20 0 HIADMN CCc1noc(-c2ccc(CCN[C@H](c3ccn(C)n3)c3ccc(F)cc3)cc2)n1 ZINC000540495638 939275457 /nfs/dbraw/zinc/27/54/57/939275457.db2.gz BMABNMRJUCZGMS-QFIPXVFZSA-N 0 1 405.477 4.093 20 0 HIADMN CCC[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CCN1Cc1ccccc1 ZINC000540535435 939294246 /nfs/dbraw/zinc/29/42/46/939294246.db2.gz VDPNECDXWOWOSK-JOCHJYFZSA-N 0 1 419.569 4.186 20 0 HIADMN CCC[C@H]1CN(C(=O)CSCc2c(C)noc2C)CCN1Cc1ccccc1 ZINC000540537767 939295412 /nfs/dbraw/zinc/29/54/12/939295412.db2.gz HONULKGOWFCSMZ-FQEVSTJZSA-N 0 1 401.576 4.038 20 0 HIADMN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000540553462 939302709 /nfs/dbraw/zinc/30/27/09/939302709.db2.gz DYDLGYFPVRPVOH-PBEJRMEISA-N 0 1 403.498 4.021 20 0 HIADMN Cc1ccc2nc(CNC(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)[nH]c2c1 ZINC000540552786 939302811 /nfs/dbraw/zinc/30/28/11/939302811.db2.gz JCZFKEVWFYSRAY-UHFFFAOYSA-N 0 1 407.861 4.406 20 0 HIADMN CSc1ccc(C)c(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000540555561 939303705 /nfs/dbraw/zinc/30/37/05/939303705.db2.gz RFXCEMDGTJIVGB-INIZCTEOSA-N 0 1 416.566 4.491 20 0 HIADMN CCCCCNC(=O)C1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000540560173 939305231 /nfs/dbraw/zinc/30/52/31/939305231.db2.gz FUKAUOAMCKSGQI-UHFFFAOYSA-N 0 1 408.970 4.062 20 0 HIADMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ncc(-c2ccccc2Br)o1 ZINC000540576293 939309644 /nfs/dbraw/zinc/30/96/44/939309644.db2.gz ZILFTIMLIUGDGR-KUHUBIRLSA-N 0 1 407.308 4.316 20 0 HIADMN O=C(CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000540588976 939312046 /nfs/dbraw/zinc/31/20/46/939312046.db2.gz KTBJFQFFXHSMCG-HXUWFJFHSA-N 0 1 406.404 4.156 20 0 HIADMN C[C@H](NCc1ccc(N2CCOCC2)nc1)c1cc2cc(Br)ccc2o1 ZINC000540597642 939315717 /nfs/dbraw/zinc/31/57/17/939315717.db2.gz QYZAASBNZAIJCS-AWEZNQCLSA-N 0 1 416.319 4.278 20 0 HIADMN Cc1cc(C)n2c(CN[C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)cnc2n1 ZINC000540607974 939318695 /nfs/dbraw/zinc/31/86/95/939318695.db2.gz XZSMWRRFGUDHGS-QFIPXVFZSA-N 0 1 414.488 4.366 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2ccccc2SC)CC1 ZINC000540734408 939352523 /nfs/dbraw/zinc/35/25/23/939352523.db2.gz LFEHPYDMTJBGFY-KRWDZBQOSA-N 0 1 415.578 4.109 20 0 HIADMN C[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(Br)c(F)c1 ZINC000540750396 939358297 /nfs/dbraw/zinc/35/82/97/939358297.db2.gz BDVHGMOMEHWCGO-ORAYPTAESA-N 0 1 420.326 4.211 20 0 HIADMN Cc1cc(Cl)cc2c1OCCC[C@H]2Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000540751016 939358893 /nfs/dbraw/zinc/35/88/93/939358893.db2.gz WJRXZDVISVFFQZ-RTWAWAEBSA-N 0 1 413.949 4.424 20 0 HIADMN Cc1cc(Cl)cc2c1OCCC[C@@H]2Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000540751014 939359085 /nfs/dbraw/zinc/35/90/85/939359085.db2.gz WJRXZDVISVFFQZ-LEWJYISDSA-N 0 1 413.949 4.424 20 0 HIADMN CCc1c(NC(=O)c2ccc(C)nc2OC)[nH]nc1-c1ccc(Br)cc1 ZINC000540772751 939367176 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COc1ccc2[nH]cc(C3=CCN(C(=O)c4c[nH]c5ccc(C)cc5c4=O)CC3)c2c1 ZINC000553162899 941843011 /nfs/dbraw/zinc/84/30/11/941843011.db2.gz WVCMIFHXLSTTKT-UHFFFAOYSA-N 0 1 413.477 4.256 20 0 HIADMN COc1ccccc1C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000553196277 941847398 /nfs/dbraw/zinc/84/73/98/941847398.db2.gz IFTNLAYOFIXADD-QHCPKHFHSA-N 0 1 415.537 4.397 20 0 HIADMN C[C@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553381418 941877003 /nfs/dbraw/zinc/87/70/03/941877003.db2.gz VPQVIMYHXZQRHX-SCLBCKFNSA-N 0 1 416.403 4.093 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N1CCC(OC2CCC(C)CC2)CC1)c1ccco1 ZINC000553403854 941879882 /nfs/dbraw/zinc/87/98/82/941879882.db2.gz DHQCHKJTHMNYBU-GZNCHQMQSA-N 0 1 405.583 4.432 20 0 HIADMN COc1cc([C@H](C)N[C@H]2CCCOc3cc(Cl)ccc32)ccc1S(C)(=O)=O ZINC000553439480 941884950 /nfs/dbraw/zinc/88/49/50/941884950.db2.gz ZIHJWUNSLGMPAW-GUYCJALGSA-N 0 1 409.935 4.317 20 0 HIADMN CCc1ccc([C@@H]2CCCN(C(=O)NC3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000553468777 941890259 /nfs/dbraw/zinc/89/02/59/941890259.db2.gz QVWPZULVWQULSI-HSZRJFAPSA-N 0 1 406.574 4.198 20 0 HIADMN Cc1ccc2[nH]c(NC(=O)CCCCC(=O)Nc3nc4ccc(C)cc4[nH]3)nc2c1 ZINC000553474841 941891434 /nfs/dbraw/zinc/89/14/34/941891434.db2.gz WVKZKYVWBMGRHB-UHFFFAOYSA-N 0 1 404.474 4.194 20 0 HIADMN Cc1ccc2nc(NC(=O)CCCCC(=O)Nc3nc4ccc(C)cc4[nH]3)[nH]c2c1 ZINC000553474841 941891439 /nfs/dbraw/zinc/89/14/39/941891439.db2.gz WVKZKYVWBMGRHB-UHFFFAOYSA-N 0 1 404.474 4.194 20 0 HIADMN CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)Nc1ccc(Cn2ccnc2)cn1 ZINC000553635428 941927839 /nfs/dbraw/zinc/92/78/39/941927839.db2.gz MKDLYURMVKGUHG-UHFFFAOYSA-N 0 1 406.877 4.185 20 0 HIADMN Cc1cc2c[nH]nc2c(C(=O)N2C[C@@H](C)O[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000553721849 941952254 /nfs/dbraw/zinc/95/22/54/941952254.db2.gz KXTUFAJMPKOFRI-ACJLOTCBSA-N 0 1 403.404 4.492 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)Cc2ccccc2Cl)c1 ZINC000553734814 941955605 /nfs/dbraw/zinc/95/56/05/941955605.db2.gz PIFBLXGUWMLQAI-MRXNPFEDSA-N 0 1 401.938 4.438 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CCS(=O)(=O)c1ccc(CNCc2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000554185149 942061154 /nfs/dbraw/zinc/06/11/54/942061154.db2.gz CZXONZBQIUGIEW-UHFFFAOYSA-N 0 1 417.962 4.226 20 0 HIADMN COc1nc(C)cc(C)c1CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000554242908 942076731 /nfs/dbraw/zinc/07/67/31/942076731.db2.gz JVFVFOSCDJKUGY-UHFFFAOYSA-N 0 1 405.336 4.265 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554260856 942082909 /nfs/dbraw/zinc/08/29/09/942082909.db2.gz CSUGATMQSNSGHK-BRWVUGGUSA-N 0 1 401.473 4.475 20 0 HIADMN O=C(c1cccc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1)N1CCCCC1 ZINC000554276563 942087493 /nfs/dbraw/zinc/08/74/93/942087493.db2.gz XGWATTWQJPRJAJ-RBBKRZOGSA-N 0 1 410.583 4.313 20 0 HIADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2n[nH]cc2c1 ZINC000554296903 942093913 /nfs/dbraw/zinc/09/39/13/942093913.db2.gz HUYHJJZXCCJWPL-HNNXBMFYSA-N 0 1 411.937 4.241 20 0 HIADMN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(-c4ccccc4)o3)C2=O)c(OC)c1 ZINC000554363232 942114231 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COCCCn1nccc1CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000554923440 942321164 /nfs/dbraw/zinc/32/11/64/942321164.db2.gz SORDYELPGGAHLU-UHFFFAOYSA-N 0 1 419.504 4.201 20 0 HIADMN O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)Nc1nnc(-c2ccco2)o1 ZINC000555077112 942378874 /nfs/dbraw/zinc/37/88/74/942378874.db2.gz KJHCHOCFKXJAIA-MRXNPFEDSA-N 0 1 406.364 4.028 20 0 HIADMN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1cscc1C(F)(F)F ZINC000555103317 942386315 /nfs/dbraw/zinc/38/63/15/942386315.db2.gz CWJFKVXXDDHEEZ-ZDUSSCGKSA-N 0 1 418.506 4.500 20 0 HIADMN O=S(=O)(CCOCC(F)(F)F)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000555126782 942393373 /nfs/dbraw/zinc/39/33/73/942393373.db2.gz CWUPKYZRPOCZMD-UHFFFAOYSA-N 0 1 423.840 4.240 20 0 HIADMN CC(C)N1CC[C@H](N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000555130143 942396066 /nfs/dbraw/zinc/39/60/66/942396066.db2.gz QZNXQJPEPDLVIC-SZFUDVHCSA-N 0 1 412.484 4.488 20 0 HIADMN CN(Cc1nccs1)[C@H]1CC12CCN(Cc1sccc1Br)CC2 ZINC000555132579 942397211 /nfs/dbraw/zinc/39/72/11/942397211.db2.gz LJCOADBEVNWNRX-HNNXBMFYSA-N 0 1 412.422 4.454 20 0 HIADMN c1ccc(Cn2c(-c3cccc4cccnc43)nnc2N2CCN(C3CCC3)CC2)cc1 ZINC000555153411 942407223 /nfs/dbraw/zinc/40/72/23/942407223.db2.gz RCXYWCUZGUYFKE-UHFFFAOYSA-N 0 1 424.552 4.216 20 0 HIADMN Cc1ccccc1CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2)CC1 ZINC000555180414 942419786 /nfs/dbraw/zinc/41/97/86/942419786.db2.gz NTUBGICIUOYCJQ-UHFFFAOYSA-N 0 1 424.552 4.019 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccnc2ccccc21 ZINC000555295364 942465056 /nfs/dbraw/zinc/46/50/56/942465056.db2.gz TVHWNTUPVJMZEQ-NRFANRHFSA-N 0 1 414.509 4.088 20 0 HIADMN CCc1oc(CN[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1C(=O)OC ZINC000555335641 942481829 /nfs/dbraw/zinc/48/18/29/942481829.db2.gz SKUCXNGJEAMULF-OAHLLOKOSA-N 0 1 407.470 4.127 20 0 HIADMN CCc1oc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1C(=O)OC ZINC000555336446 942482824 /nfs/dbraw/zinc/48/28/24/942482824.db2.gz YXKNCHULFFPPCI-UHFFFAOYSA-N 0 1 422.884 4.272 20 0 HIADMN C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccccc1Cl ZINC000555416044 942522995 /nfs/dbraw/zinc/52/29/95/942522995.db2.gz HZFOVLXUUSKBKS-AHYKXKOGSA-N 0 1 424.303 4.021 20 0 HIADMN Cc1nnc([C@H](C)NC2(Cc3ccc(F)cc3Br)CCOCC2)s1 ZINC000555545723 942636214 /nfs/dbraw/zinc/63/62/14/942636214.db2.gz JFMQNZQKCQMSLQ-NSHDSACASA-N 0 1 414.344 4.191 20 0 HIADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000555557745 942642402 /nfs/dbraw/zinc/64/24/02/942642402.db2.gz AZYCXRJPCSMUID-LBPRGKRZSA-N 0 1 412.170 4.088 20 0 HIADMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000555557743 942643320 /nfs/dbraw/zinc/64/33/20/942643320.db2.gz AZYCXRJPCSMUID-GFCCVEGCSA-N 0 1 412.170 4.088 20 0 HIADMN CC[C@@H](C(=O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1)N(C)Cc1ccccc1 ZINC000555579097 942651706 /nfs/dbraw/zinc/65/17/06/942651706.db2.gz UEGZFRWSSBOOBA-SFTDATJTSA-N 0 1 418.484 4.099 20 0 HIADMN CCCOc1cc(CN[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)ccc1OC ZINC000555607814 942667433 /nfs/dbraw/zinc/66/74/33/942667433.db2.gz LILLSVSDPMOOOL-LAUBAEHRSA-N 0 1 414.521 4.465 20 0 HIADMN COc1cccc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)c1OC(C)C ZINC000555644438 942685866 /nfs/dbraw/zinc/68/58/66/942685866.db2.gz FBJXKIUTBWGNDV-UHFFFAOYSA-N 0 1 411.951 4.089 20 0 HIADMN O=S(=O)(CCCNCc1c(F)cccc1N1CCCC1)c1ccc(Cl)cc1 ZINC000555644292 942686265 /nfs/dbraw/zinc/68/62/65/942686265.db2.gz CGWQQQGJEXYXDH-UHFFFAOYSA-N 0 1 410.942 4.033 20 0 HIADMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)cccc3Cl)n2)c(OC)c1 ZINC000555745865 942719641 /nfs/dbraw/zinc/71/96/41/942719641.db2.gz GUOFDWZXGGTIEK-UHFFFAOYSA-N 0 1 418.906 4.182 20 0 HIADMN OC[C@@]1([C@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C2CC2)CCCO1 ZINC000555759818 942722616 /nfs/dbraw/zinc/72/26/16/942722616.db2.gz SELHJDTVXDTWGE-IEBWSBKVSA-N 0 1 412.477 4.239 20 0 HIADMN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)c2ccc3cncn3c2)c1C ZINC000555887170 942766824 /nfs/dbraw/zinc/76/68/24/942766824.db2.gz HSEUNVYUZWZGGB-UHFFFAOYSA-N 0 1 410.275 4.152 20 0 HIADMN CCOc1ccc(Oc2cc(CN[C@@H](c3cccs3)c3nnc[nH]3)ccn2)cc1 ZINC000556058347 942797660 /nfs/dbraw/zinc/79/76/60/942797660.db2.gz FRWPXGXNJCEULL-FQEVSTJZSA-N 0 1 407.499 4.331 20 0 HIADMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1nnc(-c2ccccc2Br)o1 ZINC000556054262 942798402 /nfs/dbraw/zinc/79/84/02/942798402.db2.gz JEMLHKHUVBLTBF-UHFFFAOYSA-N 0 1 404.312 4.152 20 0 HIADMN Cc1ccc(-c2cc(NC(=O)Nc3cccc(C[S@](=O)c4ccccc4)c3)[nH]n2)o1 ZINC000556187353 942815821 /nfs/dbraw/zinc/81/58/21/942815821.db2.gz XHEDPZYELRTRFJ-SSEXGKCCSA-N 0 1 420.494 4.930 20 0 HIADMN Cc1ccc(-c2cc(NC(=O)Nc3cccc(C[S@@](=O)c4ccccc4)c3)[nH]n2)o1 ZINC000556187354 942815907 /nfs/dbraw/zinc/81/59/07/942815907.db2.gz XHEDPZYELRTRFJ-PMERELPUSA-N 0 1 420.494 4.930 20 0 HIADMN Fc1ccc(-c2nc3c(s2)CCC[C@@H]3N[C@H](c2nnc[nH]2)c2cccnc2)cc1 ZINC000556246390 942825794 /nfs/dbraw/zinc/82/57/94/942825794.db2.gz NTVRZOVJNDSQMR-WMZOPIPTSA-N 0 1 406.490 4.219 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(Oc2cccnc2)nc1 ZINC000556307344 942837739 /nfs/dbraw/zinc/83/77/39/942837739.db2.gz FDDJRPCIDVROOO-LJQANCHMSA-N 0 1 407.474 4.211 20 0 HIADMN Cc1nn(C)cc1[C@@H](C)NCc1cc(Br)c(C)c(Br)c1 ZINC000556385416 942854248 /nfs/dbraw/zinc/85/42/48/942854248.db2.gz BPNBDYHOLUHYRF-SNVBAGLBSA-N 0 1 401.146 4.413 20 0 HIADMN COc1cc(F)c([C@H](C)NCc2cccc(I)c2)cc1OC ZINC000556386814 942854320 /nfs/dbraw/zinc/85/43/20/942854320.db2.gz QJVGKBAETJSAQR-NSHDSACASA-N 0 1 415.246 4.298 20 0 HIADMN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C(=O)c2ccccc2)c1 ZINC000556389684 942855311 /nfs/dbraw/zinc/85/53/11/942855311.db2.gz CCLIALIZYQHSFW-NBGIEHNGSA-N 0 1 412.533 4.412 20 0 HIADMN CS(=O)(=O)c1cc(CNCc2cccc(OC(F)F)c2)cc(C(F)(F)F)c1 ZINC000556409615 942858911 /nfs/dbraw/zinc/85/89/11/942858911.db2.gz AFULQPLZWCEFHV-UHFFFAOYSA-N 0 1 409.376 4.000 20 0 HIADMN Cc1nc2ccc(CNCc3cccc(N4C(=O)N[C@](C)(C5CC5)C4=O)c3)cc2s1 ZINC000556412519 942860154 /nfs/dbraw/zinc/86/01/54/942860154.db2.gz RBHDUVONQCXHIN-HSZRJFAPSA-N 0 1 420.538 4.119 20 0 HIADMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 ZINC000556513606 942888945 /nfs/dbraw/zinc/88/89/45/942888945.db2.gz YPKAPKLAIHFTNC-IAGOWNOFSA-N 0 1 402.560 4.281 20 0 HIADMN COCC[C@@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000556514141 942889680 /nfs/dbraw/zinc/88/96/80/942889680.db2.gz YQAXUEZETLDEDC-GOSISDBHSA-N 0 1 417.283 4.255 20 0 HIADMN CCOc1ccccc1NC(=O)[C@H](C)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000556515037 942890050 /nfs/dbraw/zinc/89/00/50/942890050.db2.gz MCYHHWSJTIHGEP-ORAYPTAESA-N 0 1 418.335 4.311 20 0 HIADMN COCC[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000556518976 942890467 /nfs/dbraw/zinc/89/04/67/942890467.db2.gz HOHAWCNUDYWRRK-CQSZACIVSA-N 0 1 414.358 4.245 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000556524379 942891274 /nfs/dbraw/zinc/89/12/74/942891274.db2.gz VNLSMAAMJWXFGU-UHFFFAOYSA-N 0 1 415.708 4.023 20 0 HIADMN CS(=O)(=O)C1(CN[C@@H](c2sccc2Br)C2CCCCC2)CC1 ZINC000556574099 942904083 /nfs/dbraw/zinc/90/40/83/942904083.db2.gz PPXQSOMKUPHUOP-CQSZACIVSA-N 0 1 406.411 4.299 20 0 HIADMN NC(=O)c1ccc(CN[C@H](c2sccc2Br)C2CCCCC2)cn1 ZINC000556581404 942905921 /nfs/dbraw/zinc/90/59/21/942905921.db2.gz QRCLCNHXXPHLPO-INIZCTEOSA-N 0 1 408.365 4.416 20 0 HIADMN COC(=O)c1ccc(CN[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)c(Br)c1 ZINC000556595680 942909207 /nfs/dbraw/zinc/90/92/07/942909207.db2.gz AYPXWHJHZVAPRJ-ORAYPTAESA-N 0 1 422.319 4.110 20 0 HIADMN CCOc1ccccc1[C@@H](C)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 ZINC000556610820 942915067 /nfs/dbraw/zinc/91/50/67/942915067.db2.gz IRRIUYGLRAPMAU-GYCJOSAFSA-N 0 1 407.514 4.161 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CCOC3(CCCCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556618229 942918210 /nfs/dbraw/zinc/91/82/10/942918210.db2.gz IRXKKZPKZIYYPN-XLIONFOSSA-N 0 1 423.960 4.217 20 0 HIADMN CCOc1cc(CN2CCC(CC(F)(F)F)CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000556617892 942918465 /nfs/dbraw/zinc/91/84/65/942918465.db2.gz DYFJWBDZPGSYHS-OAHLLOKOSA-N 0 1 416.484 4.105 20 0 HIADMN Cc1ccc(Br)c(C)c1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000556717585 942929610 /nfs/dbraw/zinc/92/96/10/942929610.db2.gz XRJUQQXFAVJBMN-UHFFFAOYSA-N 0 1 423.395 4.031 20 0 HIADMN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000556857148 942940637 /nfs/dbraw/zinc/94/06/37/942940637.db2.gz BJBZTNJJXKTYNL-KRWDZBQOSA-N 0 1 416.465 4.076 20 0 HIADMN C/C=C/c1ccc(OC[C@H](O)CNCc2ccc(F)cc2Br)c(OC)c1 ZINC000556853996 942941284 /nfs/dbraw/zinc/94/12/84/942941284.db2.gz NNINEDDGJQAOLU-REMYHPOOSA-N 0 1 424.310 4.159 20 0 HIADMN COc1ccccc1NC(=O)C[C@@H](C)NCc1c(OC)cccc1OC(F)(F)F ZINC000556920149 942966458 /nfs/dbraw/zinc/96/64/58/942966458.db2.gz FJGNAWNTZCMHHT-CYBMUJFWSA-N 0 1 412.408 4.109 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)[C@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000557158441 943034054 /nfs/dbraw/zinc/03/40/54/943034054.db2.gz DGJGBWUOPNOINK-IBGZPJMESA-N 0 1 403.526 4.482 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)[C@@H](C)Oc2ccccc2Cc2ccccc2)CC1 ZINC000557158442 943034180 /nfs/dbraw/zinc/03/41/80/943034180.db2.gz DGJGBWUOPNOINK-LJQANCHMSA-N 0 1 403.526 4.482 20 0 HIADMN Cc1c([C@@H](C)N[C@@H]2CCN(Cc3ccccc3)C2=O)cnn1-c1cc(C)ccc1C ZINC000557266224 943063043 /nfs/dbraw/zinc/06/30/43/943063043.db2.gz VHNSVQYKNUEWNO-AUSIDOKSSA-N 0 1 402.542 4.249 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2scc(C)c2Br)c1 ZINC000557441925 943128682 /nfs/dbraw/zinc/12/86/82/943128682.db2.gz MBWMMTHTWFBHGN-UHFFFAOYSA-N 0 1 424.364 4.352 20 0 HIADMN COc1cc(OC)cc(Oc2cccc(CN[C@@H](c3nnc[nH]3)c3ccccc3)c2)c1 ZINC000557506688 943175424 /nfs/dbraw/zinc/17/54/24/943175424.db2.gz WHBHRXLUULLEAX-HSZRJFAPSA-N 0 1 416.481 4.493 20 0 HIADMN Cc1ccc(NC(=O)Nc2cccc3c2CCN(CCOC[C@H]2CCCO2)C3)cc1 ZINC000557541694 943200307 /nfs/dbraw/zinc/20/03/07/943200307.db2.gz XKSPVIPBCDQJCB-OAQYLSRUSA-N 0 1 409.530 4.193 20 0 HIADMN COc1cccc([C@@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)c2ccccc2Cl)c1 ZINC000557556499 943207327 /nfs/dbraw/zinc/20/73/27/943207327.db2.gz AJVKXMBLNUCXKH-YCRPNKLZSA-N 0 1 410.905 4.018 20 0 HIADMN Cc1nc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c(Br)s1 ZINC000557594495 943224196 /nfs/dbraw/zinc/22/41/96/943224196.db2.gz CUOHTGHHDXVOQV-ZDUSSCGKSA-N 0 1 405.321 4.376 20 0 HIADMN Cc1ccc2[nH]c(NC(=O)C(C)(C)CCC(=O)Nc3nc4ccc(C)cc4[nH]3)nc2c1 ZINC000557807953 943298058 /nfs/dbraw/zinc/29/80/58/943298058.db2.gz DBVLKGVJYDXUNU-UHFFFAOYSA-N 0 1 418.501 4.440 20 0 HIADMN Cc1ccc2[nH]c(NC(=O)CCC(C)(C)C(=O)Nc3nc4ccc(C)cc4[nH]3)nc2c1 ZINC000557807953 943298061 /nfs/dbraw/zinc/29/80/61/943298061.db2.gz DBVLKGVJYDXUNU-UHFFFAOYSA-N 0 1 418.501 4.440 20 0 HIADMN Cc1ccc2nc(NC(=O)CCC(C)(C)C(=O)Nc3nc4ccc(C)cc4[nH]3)[nH]c2c1 ZINC000557807953 943298067 /nfs/dbraw/zinc/29/80/67/943298067.db2.gz DBVLKGVJYDXUNU-UHFFFAOYSA-N 0 1 418.501 4.440 20 0 HIADMN Cc1ccc2nc(NC(=O)c3cccc(NC(=O)c4ccc5[nH]cnc5c4)c3)[nH]c2c1 ZINC000557816416 943301449 /nfs/dbraw/zinc/30/14/49/943301449.db2.gz ZIRRBKBGRNOKQY-UHFFFAOYSA-N 0 1 410.437 4.252 20 0 HIADMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)c1 ZINC000557918872 943329055 /nfs/dbraw/zinc/32/90/55/943329055.db2.gz RXUDMVAQAUESGE-UHFFFAOYSA-N 0 1 420.494 4.066 20 0 HIADMN O=C(Nc1cc(Cl)c(O)cc1F)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000557930345 943331560 /nfs/dbraw/zinc/33/15/60/943331560.db2.gz IIYYIGUPCWWPJP-JTQLQIEISA-N 0 1 406.870 4.045 20 0 HIADMN CCOC1CC2(C1)CCN(C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C2 ZINC000557954083 943338742 /nfs/dbraw/zinc/33/87/42/943338742.db2.gz NEIQGVILIBPSSE-SAMMEXCHSA-N 0 1 423.960 4.073 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000557988885 943348134 /nfs/dbraw/zinc/34/81/34/943348134.db2.gz YZJYLSVWPXGCSW-UHFFFAOYSA-N 0 1 421.541 4.057 20 0 HIADMN CCN(CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCN(c2ccccc2)C1=O ZINC000558034401 943362449 /nfs/dbraw/zinc/36/24/49/943362449.db2.gz ADPNOPZCHCDFGI-IBGZPJMESA-N 0 1 420.340 4.449 20 0 HIADMN Cc1ccc(C)c([C@H](NCc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)c1 ZINC000558033579 943362934 /nfs/dbraw/zinc/36/29/34/943362934.db2.gz YYNSGKLKMXETNG-XMMPIXPASA-N 0 1 408.567 4.433 20 0 HIADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1C ZINC000558050885 943367166 /nfs/dbraw/zinc/36/71/66/943367166.db2.gz BYCHROBQXILGIT-MRXNPFEDSA-N 0 1 424.463 4.498 20 0 HIADMN CCS(=O)(=O)c1ccc(CNCc2cn(-c3ccccc3)nc2C(C)(C)C)cc1 ZINC000558065328 943370683 /nfs/dbraw/zinc/37/06/83/943370683.db2.gz SDQIDJKUOJQZRO-UHFFFAOYSA-N 0 1 411.571 4.253 20 0 HIADMN COc1ccc(CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C(C)(C)C)cc1 ZINC000558183025 943415392 /nfs/dbraw/zinc/41/53/92/943415392.db2.gz LCUMQHJUGDIHFF-UHFFFAOYSA-N 0 1 405.542 4.362 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)[C@H]3CN4CCC3CC4)cc12 ZINC000558198546 943428767 /nfs/dbraw/zinc/42/87/67/943428767.db2.gz POHIFDLKMSVAEQ-SFHVURJKSA-N 0 1 414.962 4.215 20 0 HIADMN O=C1[C@H]2c3ccccc3CCN2C(=O)N1C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000558209584 943432487 /nfs/dbraw/zinc/43/24/87/943432487.db2.gz LRCXIJMCYWJOFM-NHCUHLMSSA-N 0 1 409.917 4.039 20 0 HIADMN Cc1ccc(NC(=O)N2CC(N(C)Cc3ccccc3)C2)cc1NC(=O)C(C)(C)C ZINC000558342547 943517921 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COc1cc(CNCc2cccc(NC(=O)NCc3ccncc3)c2)ccc1SC ZINC000237281418 853997317 /nfs/dbraw/zinc/99/73/17/853997317.db2.gz WEITXWBCVJEXFY-UHFFFAOYSA-N 0 1 422.554 4.424 20 0 HIADMN COc1ccc([C@@H](O)CNCc2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1 ZINC000237283756 853997625 /nfs/dbraw/zinc/99/76/25/853997625.db2.gz KAOYUKNBTMYKSH-FQEVSTJZSA-N 0 1 420.340 4.378 20 0 HIADMN COc1ccc(OCc2nc(CNC3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000237300552 854001470 /nfs/dbraw/zinc/00/14/70/854001470.db2.gz VAJVHRZFYUDEAC-UHFFFAOYSA-N 0 1 409.555 4.489 20 0 HIADMN COc1cc(OC)c(OC)cc1CNCC1=Cc2cc(Br)ccc2OC1 ZINC000237307621 854003628 /nfs/dbraw/zinc/00/36/28/854003628.db2.gz AIRQWKCJQNIYET-UHFFFAOYSA-N 0 1 420.303 4.041 20 0 HIADMN COc1ccc([C@H](NC2CCN(C(C)=O)CC2)c2ccccc2Cl)c(OC)c1 ZINC000237355713 854012938 /nfs/dbraw/zinc/01/29/38/854012938.db2.gz ZLGHOQLSBDTLNG-JOCHJYFZSA-N 0 1 402.922 4.047 20 0 HIADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1coc(-c2ccccc2)n1 ZINC000237394747 854021161 /nfs/dbraw/zinc/02/11/61/854021161.db2.gz 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O[C@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc(Cl)cc1 ZINC000237984830 854129816 /nfs/dbraw/zinc/12/98/16/854129816.db2.gz NXLXJSHUBQMGEO-QGZVFWFLSA-N 0 1 406.711 4.316 20 0 HIADMN O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000238092000 854142521 /nfs/dbraw/zinc/14/25/21/854142521.db2.gz CKPAKBLZXIIPJM-IXDOHACOSA-N 0 1 405.338 4.307 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NCc2cnn(-c3ccccc3)c2)cc1 ZINC000238102087 854143820 /nfs/dbraw/zinc/14/38/20/854143820.db2.gz NCCKVMGJSSKNNF-UHFFFAOYSA-N 0 1 403.530 4.299 20 0 HIADMN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000247499079 854157892 /nfs/dbraw/zinc/15/78/92/854157892.db2.gz PHNQRNNRURDAEV-UHFFFAOYSA-N 0 1 408.414 4.320 20 0 HIADMN COc1ccc(-c2nc(CN3CCN(CCc4ccccc4)CC3)cs2)c(OC)c1 ZINC000247915930 854166690 /nfs/dbraw/zinc/16/66/90/854166690.db2.gz ZLHUFNPQKSOZQI-UHFFFAOYSA-N 0 1 423.582 4.188 20 0 HIADMN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000248023559 854173647 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Cc1nc2n(n1)C[C@H](N[C@H](C)c1nc3cc(Cl)ccc3n1Cc1ccccc1)CC2 ZINC000303497934 854987237 /nfs/dbraw/zinc/98/72/37/854987237.db2.gz LVOJJWJKPFEOJS-DNVCBOLYSA-N 0 1 420.948 4.304 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](c3ccccc3)C3CCCC3)n2)cc1 ZINC000303525026 855012006 /nfs/dbraw/zinc/01/20/06/855012006.db2.gz ZXBXFRKVHLLKSN-OAQYLSRUSA-N 0 1 405.502 4.211 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)N[C@H](c3ccccc3)C3CCCC3)n[nH]2)cc1 ZINC000303525026 855012011 /nfs/dbraw/zinc/01/20/11/855012011.db2.gz ZXBXFRKVHLLKSN-OAQYLSRUSA-N 0 1 405.502 4.211 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(CC(C)C)C2CC2)ccc1C ZINC000303559772 855039658 /nfs/dbraw/zinc/03/96/58/855039658.db2.gz KZRVOPFCRORBLS-UHFFFAOYSA-N 0 1 416.543 4.065 20 0 HIADMN COC(=O)Nc1ccccc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000303574570 855050465 /nfs/dbraw/zinc/05/04/65/855050465.db2.gz LPZZADXNCSRIKD-UHFFFAOYSA-N 0 1 415.921 4.160 20 0 HIADMN COc1ccc(OCc2ccccn2)c(CN[C@@H](C)c2ccc(NC(N)=O)cc2)c1 ZINC000303582747 855056720 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410.562 4.186 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2cc(Br)ccc2C)N2CCCC2)c1 ZINC000303974374 855331568 /nfs/dbraw/zinc/33/15/68/855331568.db2.gz UXWYMHUYSUCFKK-HXUWFJFHSA-N 0 1 417.347 4.333 20 0 HIADMN CC(C)Oc1ccc(NS(=O)(=O)c2cncc(Br)c2)cc1Cl ZINC000315324696 855377869 /nfs/dbraw/zinc/37/78/69/855377869.db2.gz LMWGTIXPINTVPR-UHFFFAOYSA-N 0 1 405.701 4.086 20 0 HIADMN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCc2cc(O)ccc2Br)CC1 ZINC000315038104 855377961 /nfs/dbraw/zinc/37/79/61/855377961.db2.gz PGDIGESSQAICPX-INIZCTEOSA-N 0 1 411.340 4.034 20 0 HIADMN O=S(=O)(Nc1cc(Br)cc(C(F)(F)F)c1)c1ccc(Cl)nc1 ZINC000315772651 855378868 /nfs/dbraw/zinc/37/88/68/855378868.db2.gz QBFUABOUIDYPGD-UHFFFAOYSA-N 0 1 415.618 4.317 20 0 HIADMN C[C@H]([NH2+]Cc1cccc([O-])c1Br)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000315911803 855378906 /nfs/dbraw/zinc/37/89/06/855378906.db2.gz OURUQJVDEYTVAU-ZFWWWQNUSA-N 0 1 413.356 4.280 20 0 HIADMN Cc1sc(Br)cc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000316582024 855379651 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O=C(NCCCCSc1ccccc1Br)N[C@@H]1CCCc2cn[nH]c21 ZINC000409743051 855631504 /nfs/dbraw/zinc/63/15/04/855631504.db2.gz VNIUQHDAVXUVTC-OAHLLOKOSA-N 0 1 423.380 4.421 20 0 HIADMN Cc1ccc2nc(CNC(=O)[C@H]3C[C@@]34CCc3cc(Br)ccc34)[nH]c2c1 ZINC000409765318 855641536 /nfs/dbraw/zinc/64/15/36/855641536.db2.gz IVDXBKUHKHEWBC-IIBYNOLFSA-N 0 1 410.315 4.154 20 0 HIADMN C[C@H](N[C@H]1CCOc2c(Br)cccc21)C(=O)N(C)Cc1cccc(F)c1 ZINC000409856847 855690677 /nfs/dbraw/zinc/69/06/77/855690677.db2.gz LQHDANDVTGHNJY-UGSOOPFHSA-N 0 1 421.310 4.049 20 0 HIADMN COc1ccc(CN(C)C(=O)[C@H](C)N[C@H](C)c2ccccc2SC)cc1OC ZINC000409864936 855694354 /nfs/dbraw/zinc/69/43/54/855694354.db2.gz DDDONCZSNWRYLF-CVEARBPZSA-N 0 1 402.560 4.123 20 0 HIADMN COc1cc(OC)c(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000410024875 855784421 /nfs/dbraw/zinc/78/44/21/855784421.db2.gz GNIBBTQTXQKGDR-UHFFFAOYSA-N 0 1 421.900 4.282 20 0 HIADMN Cc1ccccc1[C@]1(F)CCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)C1 ZINC000410026236 855785206 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C[C@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000410349093 855942922 /nfs/dbraw/zinc/94/29/22/855942922.db2.gz DNRHKKJKTLOBAE-ROUUACIJSA-N 0 1 415.965 4.291 20 0 HIADMN CCc1ccc(CN(C)C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000410353902 855945946 /nfs/dbraw/zinc/94/59/46/855945946.db2.gz OIBCNGZHXJUDHZ-WOJBJXKFSA-N 0 1 409.574 4.200 20 0 HIADMN CCOc1cc(F)ccc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000410364510 855952556 /nfs/dbraw/zinc/95/25/56/855952556.db2.gz IOHCGAGDEHXARX-CALCHBBNSA-N 0 1 415.509 4.155 20 0 HIADMN COc1ccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1Cl ZINC000410366788 855955137 /nfs/dbraw/zinc/95/51/37/855955137.db2.gz IKBREOHHWYALNV-HZPDHXFCSA-N 0 1 417.937 4.280 20 0 HIADMN CCn1ncc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Br)cc21 ZINC000410376793 855960440 /nfs/dbraw/zinc/96/04/40/855960440.db2.gz WMKKBZHJJKJBDC-UHFFFAOYSA-N 0 1 414.712 4.273 20 0 HIADMN CCOCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410392132 855969748 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O[C@H]([C@H]1CCCN(Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000426003492 856040633 /nfs/dbraw/zinc/04/06/33/856040633.db2.gz SOZAXRDLFCXXDZ-BLLLJJGKSA-N 0 1 407.358 4.231 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H]2c3cc(Br)ccc3CC2(C)C)n[nH]1 ZINC000426002486 856040697 /nfs/dbraw/zinc/04/06/97/856040697.db2.gz FZJBYPFTJDWTRR-IAQYHMDHSA-N 0 1 420.355 4.374 20 0 HIADMN O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000426044084 856068290 /nfs/dbraw/zinc/06/82/90/856068290.db2.gz KFKHSVXFOKETAV-OCCSQVGLSA-N 0 1 405.955 4.364 20 0 HIADMN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000426045277 856069180 /nfs/dbraw/zinc/06/91/80/856069180.db2.gz VPJHKIFYFQOYIE-SFHVURJKSA-N 0 1 417.351 4.385 20 0 HIADMN CC(C)c1nc([C@H]2CCCCN2C(=O)CCn2c3ccccc3nc2C2CC2)n[nH]1 ZINC000426093160 856103679 /nfs/dbraw/zinc/10/36/79/856103679.db2.gz VNRODJLGJOTYAM-LJQANCHMSA-N 0 1 406.534 4.299 20 0 HIADMN C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cnc(-c2ccco2)s1 ZINC000426147685 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4.447 20 0 HIADMN Cc1cc(CN[C@@H]2CCCc3c(Br)cccc32)nc(N2CCCC2)n1 ZINC000426286099 856221712 /nfs/dbraw/zinc/22/17/12/856221712.db2.gz FHXOENLNJRLUEQ-LJQANCHMSA-N 0 1 401.352 4.315 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1ccco1 ZINC000426316111 856241224 /nfs/dbraw/zinc/24/12/24/856241224.db2.gz BECVTXPHOBGMTG-XJUOHMSHSA-N 0 1 421.545 4.087 20 0 HIADMN Cn1c(=O)c(CN[C@H]2CCc3c2cc(Br)cc3F)cc2ccccc21 ZINC000426318802 856243148 /nfs/dbraw/zinc/24/31/48/856243148.db2.gz SKDVWVJOAREJSB-SFHVURJKSA-N 0 1 401.279 4.217 20 0 HIADMN Cn1c2ccccc2cc(CN[C@@H]2CCCOc3cc(Br)ccc32)c1=O ZINC000426337300 856250582 /nfs/dbraw/zinc/25/05/82/856250582.db2.gz ZEFSDZXXXKFRIF-GOSISDBHSA-N 0 1 413.315 4.305 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)n[nH]1 ZINC000426388326 856270262 /nfs/dbraw/zinc/27/02/62/856270262.db2.gz GFWVGQWREZPDGO-KPZWWZAWSA-N 0 1 413.522 4.289 20 0 HIADMN Cc1nc([C@H]2CCCOC2)sc1-c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000426396894 856274400 /nfs/dbraw/zinc/27/44/00/856274400.db2.gz QUMDWVATLRLIAC-AWEZNQCLSA-N 0 1 402.495 4.263 20 0 HIADMN COc1ccc(CCC(=O)N2CCCN(Cc3ccc4nc(C)sc4c3)CC2)cc1 ZINC000426421694 856282712 /nfs/dbraw/zinc/28/27/12/856282712.db2.gz RSWSQLCMFCFDMH-UHFFFAOYSA-N 0 1 423.582 4.280 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3CCCC4(C3)CCCCCC4)cs2)c1C ZINC000426455349 856299966 /nfs/dbraw/zinc/29/99/66/856299966.db2.gz BLEZBMLCARLSRV-UHFFFAOYSA-N 0 1 400.592 4.457 20 0 HIADMN CC[C@]1(CO)CCCN(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000426474577 856310352 /nfs/dbraw/zinc/31/03/52/856310352.db2.gz UQMVSSUMRXIMBN-PKTZIBPZSA-N 0 1 400.950 4.030 20 0 HIADMN COc1ccc2c(c1)CN(C(=O)N[C@H](C)Cc1cc(C)[nH]n1)[C@H](C1CCCCC1)C2 ZINC000426508765 856325375 /nfs/dbraw/zinc/32/53/75/856325375.db2.gz PVHXWQGQFLDLTL-MWTRTKDXSA-N 0 1 410.562 4.375 20 0 HIADMN Cc1cn2c(nc(C)c2-c2noc(-c3ccc(CN4C[C@@H](C)O[C@@H](C)C4)cc3)n2)s1 ZINC000426555266 856346526 /nfs/dbraw/zinc/34/65/26/856346526.db2.gz ZHYZYWPGXDHORM-OKILXGFUSA-N 0 1 423.542 4.339 20 0 HIADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)[nH]1 ZINC000426649163 856393568 /nfs/dbraw/zinc/39/35/68/856393568.db2.gz WFRNKEXQYSBLLG-KRWDZBQOSA-N 0 1 418.419 4.156 20 0 HIADMN CCCOc1c(Br)cc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1OCC ZINC000426714387 856429851 /nfs/dbraw/zinc/42/98/51/856429851.db2.gz MPJBBDKVNNDEHC-UHFFFAOYSA-N 0 1 412.280 4.218 20 0 HIADMN Cc1ccc(-c2ncc(C[NH2+][C@H](CSCCc3ccccc3)C(=O)[O-])s2)o1 ZINC000426722167 856434508 /nfs/dbraw/zinc/43/45/08/856434508.db2.gz UYDGJLIWECZIRO-QGZVFWFLSA-N 0 1 402.541 4.230 20 0 HIADMN Cn1c(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)nc2cc(C(F)(F)F)ccc21 ZINC000426730370 856439239 /nfs/dbraw/zinc/43/92/39/856439239.db2.gz LDEQZLBJWBKQGT-INIZCTEOSA-N 0 1 415.774 4.300 20 0 HIADMN O=C(NC(Cc1ccccc1F)Cc1ccccc1F)N[C@@H]1CCCc2cn[nH]c21 ZINC000437421624 862797309 /nfs/dbraw/zinc/79/73/09/862797309.db2.gz OKKWKRIDYXWPAH-OAQYLSRUSA-N 0 1 410.468 4.219 20 0 HIADMN O=C([O-])[C@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000426736642 856444227 /nfs/dbraw/zinc/44/42/27/856444227.db2.gz JUSYEXOCAAAUPU-IBGZPJMESA-N 0 1 412.436 4.220 20 0 HIADMN O=C([O-])[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c(F)cccc1F ZINC000426748183 856452565 /nfs/dbraw/zinc/45/25/65/856452565.db2.gz VLQBHRPGGJCDLD-KRWDZBQOSA-N 0 1 411.330 4.085 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1cnn(-c2ccccc2)c1 ZINC000426762538 856463582 /nfs/dbraw/zinc/46/35/82/856463582.db2.gz LBQPKDWTWVJYGD-FQEVSTJZSA-N 0 1 404.495 4.301 20 0 HIADMN O=C(NCc1ccc(Oc2ccccc2C(F)(F)F)nc1)[C@H]1CCCN1C1CC1 ZINC000426783470 856475754 /nfs/dbraw/zinc/47/57/54/856475754.db2.gz LNAKYXDSBSDLEQ-QGZVFWFLSA-N 0 1 405.420 4.136 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1cccc(Br)c1 ZINC000426827802 856501778 /nfs/dbraw/zinc/50/17/78/856501778.db2.gz SXVNGIPRYNNGGG-KRWDZBQOSA-N 0 1 401.260 4.410 20 0 HIADMN C[C@@H](NC(=O)CN1CCC(OC[C@H]2CCCCO2)CC1)c1cccc2ccccc21 ZINC000426835432 856506123 /nfs/dbraw/zinc/50/61/23/856506123.db2.gz REAWYTOSBJMWCU-DENIHFKCSA-N 0 1 410.558 4.067 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N[C@@H]2CSc3ccc(Br)cc32)n[nH]1 ZINC000426839649 856507001 /nfs/dbraw/zinc/50/70/01/856507001.db2.gz FBJDEHRFISZJAW-OPQQBVKSSA-N 0 1 424.368 4.288 20 0 HIADMN COc1cccc(C=C(CC(=O)NCc2cnc[nH]2)c2nc3ccccc3s2)c1 ZINC000426868334 856519381 /nfs/dbraw/zinc/51/93/81/856519381.db2.gz FPFAWZWAJJFVFM-CXUHLZMHSA-N 0 1 404.495 4.275 20 0 HIADMN CN(CCCOc1ccc2c(c1)OCO2)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426870994 856520495 /nfs/dbraw/zinc/52/04/95/856520495.db2.gz IAWBTMIBLONHNY-JOCHJYFZSA-N 0 1 411.889 4.349 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCc2nc(-c3ccccc3F)cs2)n[nH]1 ZINC000426901306 856533519 /nfs/dbraw/zinc/53/35/19/856533519.db2.gz QUJORMRNNPDSKM-NWDGAFQWSA-N 0 1 402.499 4.141 20 0 HIADMN Cc1cccc2nc(CCC(=O)NCc3ccccc3CN(C)Cc3ccco3)[nH]c21 ZINC000426919449 856541498 /nfs/dbraw/zinc/54/14/98/856541498.db2.gz VDRYNWHJZFOKRU-UHFFFAOYSA-N 0 1 416.525 4.345 20 0 HIADMN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc(=O)c2ccccc2[nH]1 ZINC000426972609 856571544 /nfs/dbraw/zinc/57/15/44/856571544.db2.gz GYKPBXBZSGQZIT-UHFFFAOYSA-N 0 1 421.460 4.087 20 0 HIADMN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000426972025 856572062 /nfs/dbraw/zinc/57/20/62/856572062.db2.gz DSMKFEWMAYGMOU-UHFFFAOYSA-N 0 1 421.464 4.031 20 0 HIADMN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000426990748 856583017 /nfs/dbraw/zinc/58/30/17/856583017.db2.gz NPJVRTXKLDXMOP-CYBMUJFWSA-N 0 1 400.935 4.464 20 0 HIADMN Cc1cnc(C(=O)N2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)c(O)c1 ZINC000426992619 856584358 /nfs/dbraw/zinc/58/43/58/856584358.db2.gz SOAMOZWSGCJCQF-UHFFFAOYSA-N 0 1 420.444 4.472 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000426992707 856584378 /nfs/dbraw/zinc/58/43/78/856584378.db2.gz VVKSWSIWEIBGPB-LBPRGKRZSA-N 0 1 403.939 4.049 20 0 HIADMN COC(=O)c1cc(-c2csc(NC(=O)c3cc(-c4ccc(C)cc4C)n[nH]3)n2)c[nH]1 ZINC000426998385 856587108 /nfs/dbraw/zinc/58/71/08/856587108.db2.gz QADLPVPWGGFSLS-UHFFFAOYSA-N 0 1 421.482 4.184 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2ccccc2Sc2ccccc2)cn1 ZINC000426998084 856587602 /nfs/dbraw/zinc/58/76/02/856587602.db2.gz DSOHXDMZYBSODZ-UHFFFAOYSA-N 0 1 403.511 4.374 20 0 HIADMN Cc1nc2c(s1)CCC[C@@H]2C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000427098261 856634816 /nfs/dbraw/zinc/63/48/16/856634816.db2.gz BJUQIBWQVSHBQB-SJORKVTESA-N 0 1 407.543 4.063 20 0 HIADMN O=C(CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1)Nc1cccc2ccccc21 ZINC000427113082 856645884 /nfs/dbraw/zinc/64/58/84/856645884.db2.gz GVMAXXAMXYTLNI-UHFFFAOYSA-N 0 1 410.886 4.313 20 0 HIADMN Cc1nc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccccc4Cl)n[nH]3)c2)n1 ZINC000427132409 856658945 /nfs/dbraw/zinc/65/89/45/856658945.db2.gz CNEQRPUSOQSIAW-UHFFFAOYSA-N 0 1 406.877 4.239 20 0 HIADMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1noc(Cc2ccccc2)n1 ZINC000427131940 856658974 /nfs/dbraw/zinc/65/89/74/856658974.db2.gz XDGBFCQHAMFXCN-NSHDSACASA-N 0 1 413.890 4.256 20 0 HIADMN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427140294 856664552 /nfs/dbraw/zinc/66/45/52/856664552.db2.gz PLTADGAGGZGIJH-JTQLQIEISA-N 0 1 408.861 4.079 20 0 HIADMN CCN(CCNC(=O)c1sc(Cc2ccc(F)cc2)nc1C)CCC(F)(F)F ZINC000427206375 856712969 /nfs/dbraw/zinc/71/29/69/856712969.db2.gz PINWRYOTHTVZEM-UHFFFAOYSA-N 0 1 417.472 4.186 20 0 HIADMN CCc1c(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cnn1CCC(C)C ZINC000427208681 856713969 /nfs/dbraw/zinc/71/39/69/856713969.db2.gz HPUUIZWKCFNTDA-UHFFFAOYSA-N 0 1 411.506 4.151 20 0 HIADMN CCN(CCNC(=O)C[C@@H](C)c1ccc(Br)cc1)CCC(F)(F)F ZINC000427219837 856718814 /nfs/dbraw/zinc/71/88/14/856718814.db2.gz QJAMPAJPSZAGKP-CYBMUJFWSA-N 0 1 409.290 4.333 20 0 HIADMN O=C(NCCc1nc(C(F)(F)F)cs1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427238990 856730782 /nfs/dbraw/zinc/73/07/82/856730782.db2.gz MAHDOSRTMZBJIP-UHFFFAOYSA-N 0 1 406.842 4.239 20 0 HIADMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000427243371 856732662 /nfs/dbraw/zinc/73/26/62/856732662.db2.gz PASZPMSWPCVWOX-NSHDSACASA-N 0 1 412.298 4.007 20 0 HIADMN CCN(C[C@@H]1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)C1)CC(F)(F)F ZINC000427259078 856740351 /nfs/dbraw/zinc/74/03/51/856740351.db2.gz DTNNGIFDDWAQBN-INIZCTEOSA-N 0 1 408.468 4.040 20 0 HIADMN CCN(CCNC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)CCC(F)(F)F ZINC000427285952 856751101 /nfs/dbraw/zinc/75/11/01/856751101.db2.gz BCVWLWAMPLWQGW-UHFFFAOYSA-N 0 1 422.451 4.335 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000427416941 856811543 /nfs/dbraw/zinc/81/15/43/856811543.db2.gz YIMDROWKFFEUPV-CHWSQXEVSA-N 0 1 417.966 4.439 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000427452770 856826935 /nfs/dbraw/zinc/82/69/35/856826935.db2.gz LQEMVVSBUKSTTD-PMPSAXMXSA-N 0 1 422.357 4.078 20 0 HIADMN Cc1cnc(C(=O)Nc2ccccc2CN(C)C(=O)c2cc3ccccc3o2)c(O)c1 ZINC000427474145 856836006 /nfs/dbraw/zinc/83/60/06/856836006.db2.gz PEWVPFIBCRKJGB-UHFFFAOYSA-N 0 1 415.449 4.366 20 0 HIADMN O=C1CCCN1C[C@H](N[C@H]1CCCc2ncc(C(F)(F)F)cc21)c1ccccc1 ZINC000427582561 856876530 /nfs/dbraw/zinc/87/65/30/856876530.db2.gz HEMGVFDQLVHNIH-PMACEKPBSA-N 0 1 403.448 4.431 20 0 HIADMN Cc1cccc([C@@H](CN[C@@H](C)c2ncc(Br)cc2F)N2CCOCC2)c1 ZINC000427590078 856880387 /nfs/dbraw/zinc/88/03/87/856880387.db2.gz WSBOVUGQDATAJW-HNAYVOBHSA-N 0 1 422.342 4.016 20 0 HIADMN Cc1cc2c(cc1C)[C@H](NCc1cccc(NC(=O)Cn3cccn3)c1)CCS2 ZINC000427605929 856886101 /nfs/dbraw/zinc/88/61/01/856886101.db2.gz FJDNMHXTRZITOJ-OAQYLSRUSA-N 0 1 406.555 4.465 20 0 HIADMN C[C@H](NCCc1nccn1Cc1ccccc1)c1ncc(Br)cc1F ZINC000427606321 856886186 /nfs/dbraw/zinc/88/61/86/856886186.db2.gz JNIVXFHEKGXXRE-AWEZNQCLSA-N 0 1 403.299 4.121 20 0 HIADMN CN(C)CCN(Cc1ccccn1)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000427606561 856886393 /nfs/dbraw/zinc/88/63/93/856886393.db2.gz LRSLWKGHOSNDDS-UHFFFAOYSA-N 0 1 414.358 4.003 20 0 HIADMN O=C(Nc1cccc(CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)c1)[C@@H]1CCCO1 ZINC000427617706 856889599 /nfs/dbraw/zinc/88/95/99/856889599.db2.gz JRPFIXFQYJBGCR-ICSRJNTNSA-N 0 1 419.447 4.385 20 0 HIADMN Cc1cc2c(cc1C)[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)CCS2 ZINC000427687689 856908558 /nfs/dbraw/zinc/90/85/58/856908558.db2.gz XHQDLUJMWKWBOX-OXJNMPFZSA-N 0 1 404.601 4.441 20 0 HIADMN COc1cccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)c1OC ZINC000437496960 862853441 /nfs/dbraw/zinc/85/34/41/862853441.db2.gz MAIXHCFYVHHCLJ-UHFFFAOYSA-N 0 1 400.438 4.408 20 0 HIADMN COc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c1OC ZINC000437496960 862853448 /nfs/dbraw/zinc/85/34/48/862853448.db2.gz MAIXHCFYVHHCLJ-UHFFFAOYSA-N 0 1 400.438 4.408 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cn1 ZINC000427764300 856943999 /nfs/dbraw/zinc/94/39/99/856943999.db2.gz KSMNRDHENBQNOI-UHFFFAOYSA-N 0 1 415.419 4.241 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000427785264 856952727 /nfs/dbraw/zinc/95/27/27/856952727.db2.gz DNMPQPBBQWGPKZ-SFHVURJKSA-N 0 1 400.438 4.045 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cccc(C(=O)N2CCCC2)n1 ZINC000427791197 856956775 /nfs/dbraw/zinc/95/67/75/856956775.db2.gz WGIFJWJWGATTFN-UHFFFAOYSA-N 0 1 411.465 4.113 20 0 HIADMN CCn1c2ccccc2nc1SCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000437501729 862856108 /nfs/dbraw/zinc/85/61/08/862856108.db2.gz TWKSOHCCJRTOTQ-IBGZPJMESA-N 0 1 422.598 4.271 20 0 HIADMN C[C@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1OCCc2sccc21 ZINC000427851785 856981112 /nfs/dbraw/zinc/98/11/12/856981112.db2.gz LVNIGZYQGOXVBZ-PBQZTSCYSA-N 0 1 411.354 4.452 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Br)cc1)[C@H]1OCCc2sccc21 ZINC000427856335 856983546 /nfs/dbraw/zinc/98/35/46/856983546.db2.gz NDOFFPAKGCTJCB-BWACUDIHSA-N 0 1 409.349 4.130 20 0 HIADMN CCOc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(Cl)c1[O-] ZINC000427900700 856999243 /nfs/dbraw/zinc/99/92/43/856999243.db2.gz IOPBOHXGTCOVNX-IEBWSBKVSA-N 0 1 414.933 4.038 20 0 HIADMN CCOc1cc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(Cl)c1[O-] ZINC000427900700 856999255 /nfs/dbraw/zinc/99/92/55/856999255.db2.gz IOPBOHXGTCOVNX-IEBWSBKVSA-N 0 1 414.933 4.038 20 0 HIADMN CC(=O)NCc1ccc(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)cc1 ZINC000437517880 862862894 /nfs/dbraw/zinc/86/28/94/862862894.db2.gz SVOLWABVHMABSF-UHFFFAOYSA-N 0 1 411.465 4.027 20 0 HIADMN CC(=O)NCc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)cc1 ZINC000437517880 862862895 /nfs/dbraw/zinc/86/28/95/862862895.db2.gz SVOLWABVHMABSF-UHFFFAOYSA-N 0 1 411.465 4.027 20 0 HIADMN C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1ccc(I)cc1 ZINC000427972572 857028733 /nfs/dbraw/zinc/02/87/33/857028733.db2.gz BHXZSXGYBDLFTO-ZDUSSCGKSA-N 0 1 406.267 4.113 20 0 HIADMN C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1(C(=O)Nc2ccccc2)CC1 ZINC000427979017 857030933 /nfs/dbraw/zinc/03/09/33/857030933.db2.gz NKBBJHBQQLYOQO-CQSZACIVSA-N 0 1 405.420 4.183 20 0 HIADMN Cc1ccc(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)cc1N1CCNC1=O ZINC000427984340 857033273 /nfs/dbraw/zinc/03/32/73/857033273.db2.gz MOAUXQGOPNISLT-UHFFFAOYSA-N 0 1 417.494 4.382 20 0 HIADMN C[C@@H](C1CC1)n1cc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cn1 ZINC000428007130 857039609 /nfs/dbraw/zinc/03/96/09/857039609.db2.gz TXXRIIHOWGVHKM-NSHDSACASA-N 0 1 400.280 4.259 20 0 HIADMN CN1CCN(Cc2cccc(C(=O)Nc3ccc(Oc4ccccc4F)nc3)c2)CC1 ZINC000428043337 857052344 /nfs/dbraw/zinc/05/23/44/857052344.db2.gz XUGDOLXGRUZNMS-UHFFFAOYSA-N 0 1 420.488 4.013 20 0 HIADMN CC(C)OCc1nc([C@@H](C)NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)no1 ZINC000428162745 857091725 /nfs/dbraw/zinc/09/17/25/857091725.db2.gz XMULEPXBDUWWDT-GFCCVEGCSA-N 0 1 411.487 4.090 20 0 HIADMN CC(C)c1nc(CN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)n[nH]1 ZINC000428224871 857118395 /nfs/dbraw/zinc/11/83/95/857118395.db2.gz RLLVFZXAAKSCDY-UHFFFAOYSA-N 0 1 408.481 4.270 20 0 HIADMN O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000428226292 857119347 /nfs/dbraw/zinc/11/93/47/857119347.db2.gz GVFRQXMOBOMGIL-UHFFFAOYSA-N 0 1 404.430 4.468 20 0 HIADMN Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4noc(C(F)(F)F)n4)c3)[nH]n2)o1 ZINC000428246411 857125015 /nfs/dbraw/zinc/12/50/15/857125015.db2.gz YMBJQVRQVGEAJX-UHFFFAOYSA-N 0 1 403.320 4.299 20 0 HIADMN CCCC(=O)NC[C@H]1CCCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428246638 857125359 /nfs/dbraw/zinc/12/53/59/857125359.db2.gz RPQHPMDKOOQAIL-GOSISDBHSA-N 0 1 422.495 4.079 20 0 HIADMN O=C(N[C@@H](CC1CC1)c1cc(F)cc(Br)c1)[C@H]1CCCc2[nH]ncc21 ZINC000428268102 857134158 /nfs/dbraw/zinc/13/41/58/857134158.db2.gz ZIOVOZWUUYEGIO-YJBOKZPZSA-N 0 1 406.299 4.389 20 0 HIADMN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000428267625 857134334 /nfs/dbraw/zinc/13/43/34/857134334.db2.gz JEFATHSYPMVAOM-NRFANRHFSA-N 0 1 414.553 4.237 20 0 HIADMN COC(=O)c1cn(C2CCN(Cc3c(Cl)cccc3SC(C)C)CC2)nn1 ZINC000428291114 857143545 /nfs/dbraw/zinc/14/35/45/857143545.db2.gz YXMBOBWJOGJEDS-UHFFFAOYSA-N 0 1 408.955 4.056 20 0 HIADMN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000428310800 857147796 /nfs/dbraw/zinc/14/77/96/857147796.db2.gz PCRQTAKEKNZCGH-UHFFFAOYSA-N 0 1 412.375 4.143 20 0 HIADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC3(C)CC3)ccc2Cl)cc1 ZINC000428349834 857166739 /nfs/dbraw/zinc/16/67/39/857166739.db2.gz MKOUQQUZALZLGO-UHFFFAOYSA-N 0 1 408.907 4.278 20 0 HIADMN C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(O)c1 ZINC000428578905 857270799 /nfs/dbraw/zinc/27/07/99/857270799.db2.gz FKPRWKPKURPYHA-RDTXWAMCSA-N 0 1 407.436 4.046 20 0 HIADMN COc1ccc(Br)cc1CN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000428650865 857289842 /nfs/dbraw/zinc/28/98/42/857289842.db2.gz PZEZIYTWVCHORV-QGZVFWFLSA-N 0 1 402.292 4.223 20 0 HIADMN CSc1cccc(N(C(=O)C(=O)c2ccc(Cl)s2)C2CCN(C)CC2)c1 ZINC000428710417 857305601 /nfs/dbraw/zinc/30/56/01/857305601.db2.gz MIPZEQROVPLDAP-UHFFFAOYSA-N 0 1 408.976 4.434 20 0 HIADMN O=C1NC2(CCCC2)C(=O)N1CCN1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000428734250 857312879 /nfs/dbraw/zinc/31/28/79/857312879.db2.gz NDWYCXNJLHSMNE-UHFFFAOYSA-N 0 1 410.345 4.037 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)ccc2c1 ZINC000428743274 857315713 /nfs/dbraw/zinc/31/57/13/857315713.db2.gz JQFPPMSJMYSWIT-GNSUPJDDSA-N 0 1 402.485 4.172 20 0 HIADMN COC(=O)[C@]1(c2ccccc2)CCN([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000428808631 857353585 /nfs/dbraw/zinc/35/35/85/857353585.db2.gz UGNYPYTYBWRBBN-KBMIEXCESA-N 0 1 408.542 4.262 20 0 HIADMN O[C@@H](CNCc1nc2ccc(F)cc2s1)COc1cccc(Cl)c1Cl ZINC000428845541 857369332 /nfs/dbraw/zinc/36/93/32/857369332.db2.gz KTQGYKJOGSBDHG-NSHDSACASA-N 0 1 401.290 4.272 20 0 HIADMN O=C(Nc1cccc(CSC2CCCC2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000428893434 857396417 /nfs/dbraw/zinc/39/64/17/857396417.db2.gz DVJDXJFDHRDLQQ-IBGZPJMESA-N 0 1 403.592 4.048 20 0 HIADMN Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)CCc1nc[nH]n1 ZINC000428911126 857409278 /nfs/dbraw/zinc/40/92/78/857409278.db2.gz AMBXVEUWDZJJTI-UHFFFAOYSA-N 0 1 406.465 4.421 20 0 HIADMN O=C(CCc1nc[nH]n1)Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000429076331 857496983 /nfs/dbraw/zinc/49/69/83/857496983.db2.gz CXSXAUBNRGTZBF-UHFFFAOYSA-N 0 1 418.379 4.039 20 0 HIADMN CC(=O)N1CCC(N(Cc2cncs2)Cc2cccc(Br)c2C)CC1 ZINC000429111858 857514558 /nfs/dbraw/zinc/51/45/58/857514558.db2.gz DGFHZNFWAJUVJN-UHFFFAOYSA-N 0 1 422.392 4.227 20 0 HIADMN C[C@H](NCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H]1OCCc2sccc21 ZINC000429143232 857530403 /nfs/dbraw/zinc/53/04/03/857530403.db2.gz OJJXBLMIJMVAMT-ITEAAPOESA-N 0 1 412.580 4.307 20 0 HIADMN C[C@H](NCC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1OCCc2sccc21 ZINC000429156461 857534143 /nfs/dbraw/zinc/53/41/43/857534143.db2.gz FIHDGYZWZHNRHM-YCRPNKLZSA-N 0 1 404.551 4.306 20 0 HIADMN C[C@@H](NCC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1OCCc2sccc21 ZINC000429167078 857538418 /nfs/dbraw/zinc/53/84/18/857538418.db2.gz KLQSPWOQZDEDEU-CWTRNNRKSA-N 0 1 413.370 4.305 20 0 HIADMN C[C@@H](NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1OCCc2sccc21 ZINC000429173745 857540552 /nfs/dbraw/zinc/54/05/52/857540552.db2.gz OOZNIIFDJGCTMW-QRWLVFNGSA-N 0 1 407.601 4.111 20 0 HIADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000429172383 857540963 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ZINC000438441779 863868189 /nfs/dbraw/zinc/86/81/89/863868189.db2.gz ITIRBHBXFCUGCR-GOSISDBHSA-N 0 1 420.460 4.438 20 0 HIADMN Cc1oc2ccccc2c1CC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438440952 863868458 /nfs/dbraw/zinc/86/84/58/863868458.db2.gz ZSIMNFPTQRHGAH-LJQANCHMSA-N 0 1 414.387 4.326 20 0 HIADMN C[C@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000438449516 863873936 /nfs/dbraw/zinc/87/39/36/863873936.db2.gz SIWYSLBPLYVFDB-MGPLVRAMSA-N 0 1 410.346 4.111 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(C2CCCCC2)n[nH]1 ZINC000438450919 863876561 /nfs/dbraw/zinc/87/65/61/863876561.db2.gz PUNBJHSLLITWEZ-KRWDZBQOSA-N 0 1 418.423 4.114 20 0 HIADMN Cc1ccc(CC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000438456358 863879826 /nfs/dbraw/zinc/87/98/26/863879826.db2.gz FDPLEEOKQOKDGL-QGZVFWFLSA-N 0 1 408.811 4.234 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1O ZINC000438460773 863883076 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Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC000438783638 864279016 /nfs/dbraw/zinc/27/90/16/864279016.db2.gz GULBUKVKGXUJSZ-QGZVFWFLSA-N 0 1 422.554 4.259 20 0 HIADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1 ZINC000438799888 864290986 /nfs/dbraw/zinc/29/09/86/864290986.db2.gz CJBVPATXDFZWHG-UHFFFAOYSA-N 0 1 412.515 4.235 20 0 HIADMN CC(C)Oc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1Cl ZINC000438798973 864291596 /nfs/dbraw/zinc/29/15/96/864291596.db2.gz VXEIGKHHHIIOPM-UHFFFAOYSA-N 0 1 417.270 4.016 20 0 HIADMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(F)c2C)cc1 ZINC000438807395 864297619 /nfs/dbraw/zinc/29/76/19/864297619.db2.gz DOXOMVSFSAEMLE-UHFFFAOYSA-N 0 1 414.458 4.196 20 0 HIADMN COc1cccc(NC(=O)CCN2CCN([C@@H](C)c3ccccc3Cl)CC2)c1 ZINC000438838477 864330736 /nfs/dbraw/zinc/33/07/36/864330736.db2.gz KFFJNZSTMSGLAH-KRWDZBQOSA-N 0 1 401.938 4.056 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3ccc(OC(C)(C)C)cc3)[nH]c2c1 ZINC000438843904 864337916 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404.554 4.243 20 0 HIADMN Cc1cccc2nc(CNC(=O)C3(Cc4ccc(OC(F)(F)F)cc4)CC3)[nH]c21 ZINC000438950079 864422592 /nfs/dbraw/zinc/42/25/92/864422592.db2.gz DIUBTUUNCPMCIE-UHFFFAOYSA-N 0 1 403.404 4.409 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438968109 864434056 /nfs/dbraw/zinc/43/40/56/864434056.db2.gz NNTWTQAGWFYUGA-OAHLLOKOSA-N 0 1 422.451 4.005 20 0 HIADMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(C)c1O ZINC000438970786 864437238 /nfs/dbraw/zinc/43/72/38/864437238.db2.gz VXFQQOIQAAAZQV-UHFFFAOYSA-N 0 1 414.458 4.201 20 0 HIADMN Cc1ccc(CSCCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438973765 864438686 /nfs/dbraw/zinc/43/86/86/864438686.db2.gz YWUNXTLGSSIZLE-IBGZPJMESA-N 0 1 412.603 4.148 20 0 HIADMN CCN(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)c1nc2ccccc2s1 ZINC000438993128 864452053 /nfs/dbraw/zinc/45/20/53/864452053.db2.gz ASZLIZWFVFMMLI-BWPNAZKDSA-N 0 1 415.603 4.301 20 0 HIADMN C[C@H](c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1)[NH+]1CCOCC1 ZINC000439005124 864458761 /nfs/dbraw/zinc/45/87/61/864458761.db2.gz IMCHHHAGBOPNRN-OAHLLOKOSA-N 0 1 408.589 4.240 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1Cl ZINC000439144874 864576172 /nfs/dbraw/zinc/57/61/72/864576172.db2.gz IJQLUSJIFFKZTJ-OAQYLSRUSA-N 0 1 413.949 4.045 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000439191253 864617676 /nfs/dbraw/zinc/61/76/76/864617676.db2.gz MFPYYUJRFXMOPC-HHXXYDBFSA-N 0 1 412.500 4.275 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)CC1 ZINC000439191239 864617705 /nfs/dbraw/zinc/61/77/05/864617705.db2.gz MCMOBGYXSQRHAX-HZPDHXFCSA-N 0 1 414.500 4.214 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000439191245 864617887 /nfs/dbraw/zinc/61/78/87/864617887.db2.gz MEKYJZOJVRFKFO-MRXNPFEDSA-N 0 1 420.479 4.467 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCc2ccc3ccccc3c2)CC1 ZINC000439194150 864620921 /nfs/dbraw/zinc/62/09/21/864620921.db2.gz 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4.301 20 0 HIADMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000444360132 868787470 /nfs/dbraw/zinc/78/74/70/868787470.db2.gz CBLLAHCSNIYYBV-RNCFNFMXSA-N 0 1 417.225 4.094 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(Cl)cc(Br)c2F)n[nH]1 ZINC000444404617 868813806 /nfs/dbraw/zinc/81/38/06/868813806.db2.gz UZYYHDWYYCOPSX-YUMQZZPRSA-N 0 1 403.683 4.364 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccccc2-c2ccccc2C(=O)OC)n[nH]1 ZINC000444405470 868813866 /nfs/dbraw/zinc/81/38/66/868813866.db2.gz ZRJKMHLJZXMSAW-LSDHHAIUSA-N 0 1 406.486 4.263 20 0 HIADMN CN(CCC(=O)N1CCc2ccccc2C1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000444573141 868887070 /nfs/dbraw/zinc/88/70/70/868887070.db2.gz VOOGLWBJOICTCN-DEOSSOPVSA-N 0 1 420.944 4.126 20 0 HIADMN Fc1ccc(-c2nc(CN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)no2)c(F)c1 ZINC000444622723 868914430 /nfs/dbraw/zinc/91/44/30/868914430.db2.gz QRAXNLVNAYWZAY-QGZVFWFLSA-N 0 1 408.412 4.137 20 0 HIADMN Fc1ccc(-c2nc(CN3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)no2)c(F)c1 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COc1cccc(OC)c1OC[C@H](O)CN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444792965 869007803 /nfs/dbraw/zinc/00/78/03/869007803.db2.gz GCRQRFRKEDUURB-RTBURBONSA-N 0 1 405.922 4.324 20 0 HIADMN C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](c2nccn2C)C1)c1ccc(Cl)cc1Cl ZINC000444791348 869009292 /nfs/dbraw/zinc/00/92/92/869009292.db2.gz BAIKZTLOYWRPQJ-SOUVJXGZSA-N 0 1 409.361 4.172 20 0 HIADMN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](c2nccn2C)C1 ZINC000444806493 869018782 /nfs/dbraw/zinc/01/87/82/869018782.db2.gz ULKROHKNBIPTTR-HIFRSBDPSA-N 0 1 405.424 4.430 20 0 HIADMN Cn1ccnc1[C@H]1CCCN(Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000444807270 869021892 /nfs/dbraw/zinc/02/18/92/869021892.db2.gz WIXBHAMFIMULAA-HNNXBMFYSA-N 0 1 401.308 4.217 20 0 HIADMN COc1ccc(C2(NCC(=O)Nc3cccc4ccccc43)CCOCC2)cc1F ZINC000444818181 869027611 /nfs/dbraw/zinc/02/76/11/869027611.db2.gz RIXCDDCQGDCSAD-UHFFFAOYSA-N 0 1 408.473 4.222 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccoc2Br)cc1 ZINC000444865650 869065053 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ZINC000447602370 871510243 /nfs/dbraw/zinc/51/02/43/871510243.db2.gz UKCJXYLRPPCRFP-QZTJIDSGSA-N 0 1 410.539 4.325 20 0 HIADMN CCN(CC)[C@H](C(=O)N1CCC(n2ccc(C)n2)CC1)c1cccc(C(F)(F)F)c1 ZINC000447618647 871524927 /nfs/dbraw/zinc/52/49/27/871524927.db2.gz IVDYPRMASUAUOD-FQEVSTJZSA-N 0 1 422.495 4.457 20 0 HIADMN FC(F)(F)c1ccccc1-c1csc(N2CCC(CN3CCOCC3)CC2)n1 ZINC000447647896 871568199 /nfs/dbraw/zinc/56/81/99/871568199.db2.gz DIBNZRCYWXOMNJ-UHFFFAOYSA-N 0 1 411.493 4.378 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)COc3ccc(Oc4ccccn4)cc3)cccc21 ZINC000447724382 871668554 /nfs/dbraw/zinc/66/85/54/871668554.db2.gz VPUJVIJEPJLOTF-OAQYLSRUSA-N 0 1 419.481 4.277 20 0 HIADMN C[C@@H](SCC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)c1nc2ccccc2[nH]1 ZINC000447723793 871668828 /nfs/dbraw/zinc/66/88/28/871668828.db2.gz RFZLOTVSCNCRKC-KUHUBIRLSA-N 0 1 410.543 4.381 20 0 HIADMN CO[C@H]1CCOc2c(NS(=O)(=O)c3ccc(C)c(C(F)(F)F)c3)cccc21 ZINC000447775936 871705392 /nfs/dbraw/zinc/70/53/92/871705392.db2.gz HJMBWZOWBKCWCT-INIZCTEOSA-N 0 1 401.406 4.285 20 0 HIADMN C[C@@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000447779442 871707581 /nfs/dbraw/zinc/70/75/81/871707581.db2.gz UBOOCOBRZTYVLN-MSOLQXFVSA-N 0 1 404.574 4.249 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1OC ZINC000447779726 871708282 /nfs/dbraw/zinc/70/82/82/871708282.db2.gz UTQCSJDVTVRGRC-UHFFFAOYSA-N 0 1 422.890 4.430 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC ZINC000447792961 871729308 /nfs/dbraw/zinc/72/93/08/871729308.db2.gz BRRQUTCCJSMZLK-UHFFFAOYSA-N 0 1 411.785 4.057 20 0 HIADMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000468526541 882541718 /nfs/dbraw/zinc/54/17/18/882541718.db2.gz DRTONWRGJVTZPA-UHFFFAOYSA-N 0 1 415.486 4.243 20 0 HIADMN COc1cc(NS(=O)(=O)c2ccccc2Br)ccc1C(F)(F)F ZINC000447797098 871735538 /nfs/dbraw/zinc/73/55/38/871735538.db2.gz ZIGUHNWXIWTLEG-UHFFFAOYSA-N 0 1 410.211 4.277 20 0 HIADMN CC(C)(C)[C@H]1CN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)c2ccccc21 ZINC000447834325 871761584 /nfs/dbraw/zinc/76/15/84/871761584.db2.gz KVSQPXKRWUACQG-SFHVURJKSA-N 0 1 405.502 4.243 20 0 HIADMN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000468526717 882545100 /nfs/dbraw/zinc/54/51/00/882545100.db2.gz FLPFZZYKYXBZOZ-NSHDSACASA-N 0 1 421.849 4.156 20 0 HIADMN Cc1nc(-c2ccccc2)oc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000468529490 882548978 /nfs/dbraw/zinc/54/89/78/882548978.db2.gz PXAKARLVQOGELQ-JOCHJYFZSA-N 0 1 403.526 4.463 20 0 HIADMN CCn1c(SCc2nc(-c3ccn4cncc4c3)no2)nnc1-c1ccccc1C ZINC000447950123 871820242 /nfs/dbraw/zinc/82/02/42/871820242.db2.gz FPZWLRVWNUTXHK-UHFFFAOYSA-N 0 1 417.498 4.263 20 0 HIADMN Cc1sc2ncnc(SCCc3nc(-c4ccn5cncc5c4)no3)c2c1C ZINC000447953259 871822562 /nfs/dbraw/zinc/82/25/62/871822562.db2.gz IHWMBDHHHWUVSG-UHFFFAOYSA-N 0 1 408.512 4.341 20 0 HIADMN Cc1ncsc1-c1nc2ccccc2n1Cc1nc(-c2ccn3cncc3c2)no1 ZINC000447957344 871823809 /nfs/dbraw/zinc/82/38/09/871823809.db2.gz ZEFBSVUWCOHAMY-UHFFFAOYSA-N 0 1 413.466 4.214 20 0 HIADMN CCNC(=O)C(C)(C)CN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000448038683 871871485 /nfs/dbraw/zinc/87/14/85/871871485.db2.gz AUMIXLLTHCLVCG-SFHVURJKSA-N 0 1 421.463 4.137 20 0 HIADMN CO[C@H]1CCOc2c(NC(=O)N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)cccc21 ZINC000448039716 871872712 /nfs/dbraw/zinc/87/27/12/871872712.db2.gz SZFRSSIHSPKEOQ-MOPGFXCFSA-N 0 1 419.485 4.311 20 0 HIADMN CO[C@H]1CCOc2c(NC(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)cccc21 ZINC000448039716 871872715 /nfs/dbraw/zinc/87/27/15/871872715.db2.gz SZFRSSIHSPKEOQ-MOPGFXCFSA-N 0 1 419.485 4.311 20 0 HIADMN CC[C@@H]1CN(C(=O)Nc2cccc3c2OCC[C@@H]3OC)CC[N@H+]1Cc1ccccc1 ZINC000448049008 871880758 /nfs/dbraw/zinc/88/07/58/871880758.db2.gz JOOBBQUWDPPGHO-KNQAVFIVSA-N 0 1 409.530 4.285 20 0 HIADMN CC[C@@H]1CN(C(=O)Nc2cccc3c2OCC[C@@H]3OC)CCN1Cc1ccccc1 ZINC000448049008 871880759 /nfs/dbraw/zinc/88/07/59/871880759.db2.gz JOOBBQUWDPPGHO-KNQAVFIVSA-N 0 1 409.530 4.285 20 0 HIADMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C)c(Oc2ncccc2Br)c1 ZINC000448061714 871888713 /nfs/dbraw/zinc/88/87/13/871888713.db2.gz XQAKNCLNAQXPLP-UHFFFAOYSA-N 0 1 416.279 4.298 20 0 HIADMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1 ZINC000448131986 872006335 /nfs/dbraw/zinc/00/63/35/872006335.db2.gz FFTIFZBRJNLFDW-INIZCTEOSA-N 0 1 412.511 4.375 20 0 HIADMN Cc1nnc(-c2cccc(NS(=O)(=O)c3c(Cl)ccc4ccccc43)c2)n1C ZINC000448132216 872006920 /nfs/dbraw/zinc/00/69/20/872006920.db2.gz IOUSPTOWCAJVEC-UHFFFAOYSA-N 0 1 412.902 4.398 20 0 HIADMN CC(C)(COCC(F)F)C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000468540450 882577913 /nfs/dbraw/zinc/57/79/13/882577913.db2.gz GQFPZRCNAGBOME-UHFFFAOYSA-N 0 1 422.438 4.048 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1)c1ccco1 ZINC000448464806 872431857 /nfs/dbraw/zinc/43/18/57/872431857.db2.gz GCKRQJOQLOGLAA-PGRDOPGGSA-N 0 1 423.561 4.087 20 0 HIADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000460109956 872574297 /nfs/dbraw/zinc/57/42/97/872574297.db2.gz NZVFZZUYYZXCGC-UHFFFAOYSA-N 0 1 407.901 4.420 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2)c1ccco1 ZINC000460141583 872641799 /nfs/dbraw/zinc/64/17/99/872641799.db2.gz GTXRQOZXEXTYST-IRLDBZIGSA-N 0 1 411.546 4.056 20 0 HIADMN C[S@](=O)Cc1ccccc1NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000460264199 872854149 /nfs/dbraw/zinc/85/41/49/872854149.db2.gz GZSLXMCZUNLJCN-NDEPHWFRSA-N 0 1 419.978 4.005 20 0 HIADMN CSc1ccccc1NC(=O)CN(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000460378670 873017727 /nfs/dbraw/zinc/01/77/27/873017727.db2.gz ZDAQUFHTHWZOFF-UHFFFAOYSA-N 0 1 419.348 4.118 20 0 HIADMN COc1cc(Br)ccc1CNCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000468592579 882679106 /nfs/dbraw/zinc/67/91/06/882679106.db2.gz UTMZTFPNSUMOSV-UHFFFAOYSA-N 0 1 421.726 4.290 20 0 HIADMN O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000460392670 873041598 /nfs/dbraw/zinc/04/15/98/873041598.db2.gz LBWATZQRCPWGIX-AWEZNQCLSA-N 0 1 413.319 4.176 20 0 HIADMN Cc1cccc2nc(CCC(=O)N(CCCOc3ccccc3)C3CCOCC3)[nH]c21 ZINC000468594388 882681537 /nfs/dbraw/zinc/68/15/37/882681537.db2.gz GLBLJXWNOHMKDJ-UHFFFAOYSA-N 0 1 421.541 4.281 20 0 HIADMN COc1cc(F)ccc1NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000460411323 873064747 /nfs/dbraw/zinc/06/47/47/873064747.db2.gz LJBHHTLJOGOVHM-UHFFFAOYSA-N 0 1 411.401 4.432 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1ccc(-n2cncn2)c(C)c1)c1ccccc1Cl ZINC000460668227 873413799 /nfs/dbraw/zinc/41/37/99/873413799.db2.gz AFNMLKATLKMTAY-OAQYLSRUSA-N 0 1 411.937 4.042 20 0 HIADMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(OCc2ccccn2)cc1 ZINC000460715163 873509647 /nfs/dbraw/zinc/50/96/47/873509647.db2.gz LATAJLBZZMQSAE-QFIPXVFZSA-N 0 1 401.510 4.055 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cccs1 ZINC000460718411 873513854 /nfs/dbraw/zinc/51/38/54/873513854.db2.gz LBGPIFMGDAJUJG-ROUUACIJSA-N 0 1 401.580 4.039 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1ncoc1-c1ccc(C)cc1)N1CCCC1 ZINC000460811290 873690978 /nfs/dbraw/zinc/69/09/78/873690978.db2.gz LHCOSTPIKUBEHQ-HXUWFJFHSA-N 0 1 405.498 4.226 20 0 HIADMN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(C)cc2OCc2ccccc2)cc1 ZINC000460820567 873702078 /nfs/dbraw/zinc/70/20/78/873702078.db2.gz OJPHYNQLUCYMFR-UHFFFAOYSA-N 0 1 424.522 4.358 20 0 HIADMN CCCn1ccc2ccc(NS(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)cc21 ZINC000460834013 873721684 /nfs/dbraw/zinc/72/16/84/873721684.db2.gz SLSVOKBSCNVWHW-UHFFFAOYSA-N 0 1 403.891 4.000 20 0 HIADMN CCN(C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)[C@H]1CCOC(C)(C)C1 ZINC000460881427 873792226 /nfs/dbraw/zinc/79/22/26/873792226.db2.gz JSYKQCAFZVVSEQ-ZWKOTPCHSA-N 0 1 415.500 4.297 20 0 HIADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000460913065 873819495 /nfs/dbraw/zinc/81/94/95/873819495.db2.gz XWRKGOUJNFFBHP-VQIMIIECSA-N 0 1 424.888 4.059 20 0 HIADMN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000460974025 873868532 /nfs/dbraw/zinc/86/85/32/873868532.db2.gz QFRHEZJEWAEWIK-UHFFFAOYSA-N 0 1 412.881 4.147 20 0 HIADMN CC(C)c1ccc(C[C@H]2CCN(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 ZINC000460981206 873872152 /nfs/dbraw/zinc/87/21/52/873872152.db2.gz GSTGZECYYKUWQH-HXUWFJFHSA-N 0 1 407.558 4.015 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1ccc(F)c(F)c1)N1CCCCC1 ZINC000460987461 873874836 /nfs/dbraw/zinc/87/48/36/873874836.db2.gz SWJMIHSJMGGTAL-HRAATJIYSA-N 0 1 402.485 4.420 20 0 HIADMN CN1CCN(Cc2ccc(C(=O)N(CCc3ccccc3F)C3CCCC3)cc2)CC1 ZINC000468649030 882783906 /nfs/dbraw/zinc/78/39/06/882783906.db2.gz SEMUJAGKXONPRW-UHFFFAOYSA-N 0 1 423.576 4.201 20 0 HIADMN CC(C)[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C(F)(F)F ZINC000468689153 882813202 /nfs/dbraw/zinc/81/32/02/882813202.db2.gz SKZJBKYMNVCJGI-RCBQFDQVSA-N 0 1 409.855 4.358 20 0 HIADMN CO[C@H](C)c1noc(CCC(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)n1 ZINC000468691474 882815168 /nfs/dbraw/zinc/81/51/68/882815168.db2.gz XLAIGIJFQITQEN-GFCCVEGCSA-N 0 1 409.421 4.031 20 0 HIADMN CCCCc1nc2ccc(NC(=O)CCc3c(C)nc4c(c(=O)[nH]n4C)c3C)cc2[nH]1 ZINC000468709665 882823816 /nfs/dbraw/zinc/82/38/16/882823816.db2.gz NSTVMCHQCYILPE-UHFFFAOYSA-N 0 1 420.517 4.081 20 0 HIADMN CCN(CC)[C@@H](C(=O)N1CC[C@@H](n2cc(C)cn2)C1)c1cccc(C(F)(F)F)c1 ZINC000461373694 874378088 /nfs/dbraw/zinc/37/80/88/874378088.db2.gz FBBNUQQWBZJEDX-RTBURBONSA-N 0 1 408.468 4.067 20 0 HIADMN CC(C)(C)CN1CCC[C@@H](N2CCC([C@@H]3c4ccc(Cl)cc4NC3=O)CC2)C1=O ZINC000461396042 874406378 /nfs/dbraw/zinc/40/63/78/874406378.db2.gz JYLUTACAIRVKBP-WOJBJXKFSA-N 0 1 417.981 4.125 20 0 HIADMN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1 ZINC000461428909 874467467 /nfs/dbraw/zinc/46/74/67/874467467.db2.gz TVNIKXKXRYQKTJ-IBGZPJMESA-N 0 1 416.497 4.326 20 0 HIADMN CCOc1c(Cl)cc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1Cl ZINC000468759780 882846695 /nfs/dbraw/zinc/84/66/95/882846695.db2.gz ANLZZIYGZJZMBZ-UHFFFAOYSA-N 0 1 403.287 4.016 20 0 HIADMN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)C(=O)Cc1ccn[nH]1 ZINC000468760930 882847538 /nfs/dbraw/zinc/84/75/38/882847538.db2.gz AKRUGBYWWOBTNG-UHFFFAOYSA-N 0 1 416.319 4.184 20 0 HIADMN Cc1ccc(C)c(OCCCCC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c1 ZINC000461566564 874663820 /nfs/dbraw/zinc/66/38/20/874663820.db2.gz XYGPGHSKYWDETP-OAQYLSRUSA-N 0 1 402.579 4.002 20 0 HIADMN C[C@H](NC(=O)CCCCc1nc2ccccc2s1)C1(N2CCOCC2)CCCC1 ZINC000461599489 874726893 /nfs/dbraw/zinc/72/68/93/874726893.db2.gz HPIMNRDTNPMASZ-SFHVURJKSA-N 0 1 415.603 4.159 20 0 HIADMN Cc1ccc(-c2ncc(CN[C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)s2)o1 ZINC000468807749 882869764 /nfs/dbraw/zinc/86/97/64/882869764.db2.gz CKYDZUUCYKGAOM-GOSISDBHSA-N 0 1 417.481 4.271 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccc(Cl)c(N)c2Cl)N2CCCC2)c1 ZINC000468808705 882870652 /nfs/dbraw/zinc/87/06/52/882870652.db2.gz FAWKHJVCIIBIJE-QGZVFWFLSA-N 0 1 408.329 4.151 20 0 HIADMN CC(C)(C)c1cc(NC(=O)c2ccc(Nc3ccncc3)cc2)n(-c2ccccn2)n1 ZINC000468826298 882878742 /nfs/dbraw/zinc/87/87/42/882878742.db2.gz FGMZHJNEYDPFNF-UHFFFAOYSA-N 0 1 412.497 4.378 20 0 HIADMN Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)cc2=O)cc1 ZINC000461872811 875025101 /nfs/dbraw/zinc/02/51/01/875025101.db2.gz XSFBIZBUBIZIEB-SFHVURJKSA-N 0 1 404.514 4.101 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2C(F)(F)F)on1)c1ccsc1 ZINC000461898722 875044450 /nfs/dbraw/zinc/04/44/50/875044450.db2.gz NKUAPAOTJPAJFJ-MRXNPFEDSA-N 0 1 409.433 4.455 20 0 HIADMN Cc1cc(NC(=O)NCc2cn[nH]c2C)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000461923319 875063339 /nfs/dbraw/zinc/06/33/39/875063339.db2.gz YTJXJGSHZMWJNI-UHFFFAOYSA-N 0 1 412.803 4.206 20 0 HIADMN C[C@H]1CCCN(c2cc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)ccn2)C1 ZINC000461926020 875065154 /nfs/dbraw/zinc/06/51/54/875065154.db2.gz NFWOILSHYKEDHD-YWZLYKJASA-N 0 1 405.502 4.298 20 0 HIADMN CN(C)[C@H](CNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccsc1 ZINC000461960622 875086983 /nfs/dbraw/zinc/08/69/83/875086983.db2.gz VALBZAYAHNQJJV-RBUKOAKNSA-N 0 1 401.580 4.039 20 0 HIADMN CN1CCN(Cc2cccc(C(=O)N(C3CC3)[C@@H]3CCCc4ccccc43)c2)CC1 ZINC000461988912 875108522 /nfs/dbraw/zinc/10/85/22/875108522.db2.gz NAQACFWEPLORML-RUZDIDTESA-N 0 1 403.570 4.116 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000462059573 875172248 /nfs/dbraw/zinc/17/22/48/875172248.db2.gz SCDORMSGIXRIIR-UHFFFAOYSA-N 0 1 401.938 4.116 20 0 HIADMN CCc1c(NC(=O)c2ccc(OC)cn2)[nH]nc1-c1ccc(Br)cc1 ZINC000462080520 875190437 /nfs/dbraw/zinc/19/04/37/875190437.db2.gz MEOUJFGSWIAYGX-UHFFFAOYSA-N 0 1 401.264 4.058 20 0 HIADMN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000462098428 875207059 /nfs/dbraw/zinc/20/70/59/875207059.db2.gz BQTVBLHRQVUNFE-UHFFFAOYSA-N 0 1 410.211 4.283 20 0 HIADMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000468875571 882908584 /nfs/dbraw/zinc/90/85/84/882908584.db2.gz HGNOWCPHKOKRPQ-NRFANRHFSA-N 0 1 416.974 4.103 20 0 HIADMN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462185742 875286674 /nfs/dbraw/zinc/28/66/74/875286674.db2.gz ZDJYSCPPUFVERD-WMZOPIPTSA-N 0 1 413.587 4.291 20 0 HIADMN C[C@H](CC(=O)NCc1nc2ccc(F)cc2[nH]1)c1ccc(F)c(Br)c1 ZINC000462202071 875310459 /nfs/dbraw/zinc/31/04/59/875310459.db2.gz KZPXLGQTPFZSJA-SNVBAGLBSA-N 0 1 408.246 4.414 20 0 HIADMN CN1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@@H]1c1cccs1 ZINC000462304737 875426192 /nfs/dbraw/zinc/42/61/92/875426192.db2.gz FLHAHFPSFOWWBP-BLLLJJGKSA-N 0 1 419.399 4.416 20 0 HIADMN CN1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2Cl)[C@H]1c1cccs1 ZINC000462304740 875426204 /nfs/dbraw/zinc/42/62/04/875426204.db2.gz FLHAHFPSFOWWBP-WBMJQRKESA-N 0 1 419.399 4.416 20 0 HIADMN Cc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)nn1-c1c(F)cccc1F ZINC000468888107 882929879 /nfs/dbraw/zinc/92/98/79/882929879.db2.gz IVLIBYZWGMQEEC-IBGZPJMESA-N 0 1 423.423 4.439 20 0 HIADMN CN1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)[C@H]1c1cccs1 ZINC000462319808 875439985 /nfs/dbraw/zinc/43/99/85/875439985.db2.gz ZZYGCBDLDDZYQA-SJCJKPOMSA-N 0 1 419.399 4.416 20 0 HIADMN CN1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H]1c1cccs1 ZINC000462328078 875444192 /nfs/dbraw/zinc/44/41/92/875444192.db2.gz QOXXSFQFBLSOCN-YVEFUNNKSA-N 0 1 419.399 4.416 20 0 HIADMN 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CCOc1ccccc1[C@H](CC)NC(=O)CN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000464603297 877833249 /nfs/dbraw/zinc/83/32/49/877833249.db2.gz VGEOGGGJOOCRRR-UZLBHIALSA-N 0 1 400.567 4.263 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000464604363 877833370 /nfs/dbraw/zinc/83/33/70/877833370.db2.gz XEVKVANEAOTRBW-UKRRQHHQSA-N 0 1 408.949 4.437 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000464604946 877834853 /nfs/dbraw/zinc/83/48/53/877834853.db2.gz SLBHBLYSWXFYPV-RDJZCZTQSA-N 0 1 420.985 4.176 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)NCc1ccccc1OC1CCCC1 ZINC000464622007 877842262 /nfs/dbraw/zinc/84/22/62/877842262.db2.gz UVXKTHZSEBHGHI-QGZVFWFLSA-N 0 1 412.578 4.235 20 0 HIADMN COCCOC[C@@H]1CCN([C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)C1 ZINC000464731041 877967866 /nfs/dbraw/zinc/96/78/66/877967866.db2.gz CVJDQHUQDKNTGJ-XMSQKQJNSA-N 0 1 416.949 4.313 20 0 HIADMN COCCOC[C@H]1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000464734388 877970591 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HIADMN CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)Cc1cnn(C)c1C(F)(F)F ZINC000464866826 878149940 /nfs/dbraw/zinc/14/99/40/878149940.db2.gz SNLGBZLMRSYSBE-UHFFFAOYSA-N 0 1 409.431 4.043 20 0 HIADMN COC(=O)[C@H](C)[C@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000464870544 878154997 /nfs/dbraw/zinc/15/49/97/878154997.db2.gz HAFNUYMDELEIOI-DGGJZMOXSA-N 0 1 408.498 4.092 20 0 HIADMN CC[C@H](NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)OC)c1ccc(Cl)cc1 ZINC000464877444 878168827 /nfs/dbraw/zinc/16/88/27/878168827.db2.gz VMGPTIKYHWZDNA-JJXUHFIVSA-N 0 1 402.922 4.047 20 0 HIADMN COCCN(C(C)=O)c1nc(CN(CCc2cccc(F)c2)C2CCCC2)cs1 ZINC000464884534 878180004 /nfs/dbraw/zinc/18/00/04/878180004.db2.gz IKRCPXPMKNVUCG-UHFFFAOYSA-N 0 1 419.566 4.269 20 0 HIADMN COC(=O)c1ccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1F ZINC000464886201 878183165 /nfs/dbraw/zinc/18/31/65/878183165.db2.gz KPMNNHRWNJCJCY-UHFFFAOYSA-N 0 1 422.859 4.256 20 0 HIADMN C[C@@H]1CCN(C(=O)c2csc(Nc3ccccn3)n2)CCN1Cc1ccccc1 ZINC000464898165 878202885 /nfs/dbraw/zinc/20/28/85/878202885.db2.gz XRILXPWKLINLNI-QGZVFWFLSA-N 0 1 407.543 4.018 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000464936839 878268307 /nfs/dbraw/zinc/26/83/07/878268307.db2.gz JGLVKTPSIUQZCX-PMACEKPBSA-N 0 1 413.949 4.233 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000464936745 878268860 /nfs/dbraw/zinc/26/88/60/878268860.db2.gz CKHSPSOJVDXSDK-SFHVURJKSA-N 0 1 413.537 4.184 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000464938015 878270073 /nfs/dbraw/zinc/27/00/73/878270073.db2.gz GKSQMCHBYLFPSH-UHFFFAOYSA-N 0 1 408.329 4.396 20 0 HIADMN C[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1ccc(-n2cccn2)cc1 ZINC000464984910 878333122 /nfs/dbraw/zinc/33/31/22/878333122.db2.gz NXWHJYKZHXIASO-GFCCVEGCSA-N 0 1 410.275 4.002 20 0 HIADMN C[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000503362552 912336806 /nfs/dbraw/zinc/33/68/06/912336806.db2.gz ZISFSYLXXYISRG-AWEZNQCLSA-N 0 1 406.452 4.398 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cccc3cnccc32)cc1 ZINC000465023408 878388113 /nfs/dbraw/zinc/38/81/13/878388113.db2.gz LPOHFCYXIXREGZ-UHFFFAOYSA-N 0 1 402.498 4.302 20 0 HIADMN CN1CCN(CCOc2ccc(NC(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000465070582 878430683 /nfs/dbraw/zinc/43/06/83/878430683.db2.gz YUXGQGAWXVOGAO-UHFFFAOYSA-N 0 1 404.514 4.110 20 0 HIADMN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503370673 912349426 /nfs/dbraw/zinc/34/94/26/912349426.db2.gz AIODXGQJNDKKHG-REWPJTCUSA-N 0 1 420.601 4.226 20 0 HIADMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000465127629 878506861 /nfs/dbraw/zinc/50/68/61/878506861.db2.gz MKWBRFPSYUKGBE-HNNXBMFYSA-N 0 1 422.356 4.151 20 0 HIADMN CCO[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C1=CCCC1 ZINC000465126774 878507658 /nfs/dbraw/zinc/50/76/58/878507658.db2.gz CVVYYLMILKUUEX-UXHICEINSA-N 0 1 410.480 4.301 20 0 HIADMN C[C@@H]1C[C@]1(NCC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1 ZINC000503376182 912357175 /nfs/dbraw/zinc/35/71/75/912357175.db2.gz JNFBHIOKAWDDGN-ZUOKHONESA-N 0 1 416.312 4.038 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3nn(-c4ccccc4)cc3OCC(C)C)[nH]c2c1 ZINC000465186837 878579487 /nfs/dbraw/zinc/57/94/87/878579487.db2.gz SUBBQQFKMXCLLV-UHFFFAOYSA-N 0 1 403.486 4.022 20 0 HIADMN Cc1ccc2nc(CNC(=O)COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000465191398 878588820 /nfs/dbraw/zinc/58/88/20/878588820.db2.gz KDRVJFNCUJSUDM-UHFFFAOYSA-N 0 1 424.298 4.482 20 0 HIADMN Cc1ccc(OC(F)F)c(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000465221766 878638454 /nfs/dbraw/zinc/63/84/54/878638454.db2.gz RUILGNCPVLRDKB-QGZVFWFLSA-N 0 1 407.461 4.216 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(F)c2C)cc1 ZINC000465285353 878722924 /nfs/dbraw/zinc/72/29/24/878722924.db2.gz RDTCXNYOFPSBBI-UHFFFAOYSA-N 0 1 414.458 4.196 20 0 HIADMN CCOc1cc(C)ccc1CNC(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000465295034 878735422 /nfs/dbraw/zinc/73/54/22/878735422.db2.gz LQQITZUTMYWHAY-SFHVURJKSA-N 0 1 423.557 4.009 20 0 HIADMN COc1cccc(NC(=O)[C@H](NCc2nc3ccc(C)cc3[nH]2)c2ccccc2)c1 ZINC000465398129 878836570 /nfs/dbraw/zinc/83/65/70/878836570.db2.gz DMKVGFXAGJFBIM-HSZRJFAPSA-N 0 1 400.482 4.350 20 0 HIADMN COC(=O)c1ccsc1N1CC[C@H](N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000465401318 878838322 /nfs/dbraw/zinc/83/83/22/878838322.db2.gz FTAQZHFZGMEFNW-BONVTDFDSA-N 0 1 413.326 4.298 20 0 HIADMN C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C[C@H](c2ccc(F)cc2)O1 ZINC000465403773 878839507 /nfs/dbraw/zinc/83/95/07/878839507.db2.gz JHVAPINMVHRXPO-PIPMEXSNSA-N 0 1 415.509 4.117 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000465416411 878849675 /nfs/dbraw/zinc/84/96/75/878849675.db2.gz YRRDEALBKALLKK-FGZHOGPDSA-N 0 1 411.546 4.055 20 0 HIADMN CCc1c(NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[nH]nc1-c1ccncc1 ZINC000503409742 912391367 /nfs/dbraw/zinc/39/13/67/912391367.db2.gz KQGKDJMCJRYFGS-UHFFFAOYSA-N 0 1 412.881 4.033 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1Cl ZINC000465426374 878856378 /nfs/dbraw/zinc/85/63/78/878856378.db2.gz HNAFPNBESSVKML-MTFMMBMASA-N 0 1 407.986 4.226 20 0 HIADMN COc1cccc([C@H](CNC(=O)N2CC[C@H](CSc3ccccc3)C2)N(C)C)c1 ZINC000465427852 878857876 /nfs/dbraw/zinc/85/78/76/878857876.db2.gz FIGBXJSPUUUEOP-AVRDEDQJSA-N 0 1 413.587 4.122 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)N(C)C)c1 ZINC000465433599 878864830 /nfs/dbraw/zinc/86/48/30/878864830.db2.gz NUYKBRBTPCTUHQ-FGZHOGPDSA-N 0 1 401.526 4.004 20 0 HIADMN CC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000465433113 878865046 /nfs/dbraw/zinc/86/50/46/878865046.db2.gz MHBXORVWRDKEQP-JTHBVZDNSA-N 0 1 409.574 4.495 20 0 HIADMN CC[C@@H](Cc1ccccc1)N(C)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000465478531 878917711 /nfs/dbraw/zinc/91/77/11/878917711.db2.gz OBRDDJDCMZUNFS-LADGPHEKSA-N 0 1 409.574 4.495 20 0 HIADMN COc1ccc(Oc2cc(CNC(=O)NCc3nc4ccc(C)cc4[nH]3)ccn2)cc1 ZINC000465527414 878980267 /nfs/dbraw/zinc/98/02/67/878980267.db2.gz NFHDVJIPSLAMQC-UHFFFAOYSA-N 0 1 417.469 4.067 20 0 HIADMN C[C@@H](CCc1cccn1C)NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000465527130 878980356 /nfs/dbraw/zinc/98/03/56/878980356.db2.gz PWYBNSQSJAXDAG-UWJYYQICSA-N 0 1 402.970 4.136 20 0 HIADMN CC[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1c(C)nn(C)c1C ZINC000465538249 878998359 /nfs/dbraw/zinc/99/83/59/878998359.db2.gz GQXMDLIVEURESG-VQTJNVASSA-N 0 1 417.985 4.278 20 0 HIADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)CC1 ZINC000465538279 878998623 /nfs/dbraw/zinc/99/86/23/878998623.db2.gz GWMDWLJFEHEQLJ-OXJNMPFZSA-N 0 1 421.010 4.093 20 0 HIADMN O=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000465618051 879119602 /nfs/dbraw/zinc/11/96/02/879119602.db2.gz FXTMVBHTJURESO-UHFFFAOYSA-N 0 1 424.976 4.180 20 0 HIADMN C[C@H](CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)Oc1ccc(F)cc1 ZINC000465618606 879122517 /nfs/dbraw/zinc/12/25/17/879122517.db2.gz KIQTVSYFZGUQFL-MRXNPFEDSA-N 0 1 419.928 4.210 20 0 HIADMN Cc1csc([C@@H](NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C2CC2)n1 ZINC000465644775 879162460 /nfs/dbraw/zinc/16/24/60/879162460.db2.gz BHRFBRGKVWPPHP-IBGZPJMESA-N 0 1 402.539 4.006 20 0 HIADMN CCCCOC1CCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)CC1 ZINC000465683509 879228894 /nfs/dbraw/zinc/22/88/94/879228894.db2.gz IXXCHXPHGLFGLU-JOCHJYFZSA-N 0 1 417.594 4.213 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1 ZINC000465685311 879232247 /nfs/dbraw/zinc/23/22/47/879232247.db2.gz KFILQZNJNGEELO-WWNPGLIZSA-N 0 1 413.537 4.204 20 0 HIADMN C[C@@H](CNC(=O)N1CC[C@H](CSc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000465684526 879232743 /nfs/dbraw/zinc/23/27/43/879232743.db2.gz FEJXCDITLOEZNK-PMACEKPBSA-N 0 1 409.599 4.257 20 0 HIADMN CCO[C@@H](C)c1nc(CN(C)C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cs1 ZINC000465806603 879420925 /nfs/dbraw/zinc/42/09/25/879420925.db2.gz HDVUYLWIRLJMHX-WMZOPIPTSA-N 0 1 420.579 4.121 20 0 HIADMN CCO[C@H](C)c1nc(CN(C)C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cs1 ZINC000465806602 879421341 /nfs/dbraw/zinc/42/13/41/879421341.db2.gz HDVUYLWIRLJMHX-SJLPKXTDSA-N 0 1 420.579 4.121 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)N2CCCC2)o1 ZINC000465807047 879422902 /nfs/dbraw/zinc/42/29/02/879422902.db2.gz HVFPSAUZZOYZRU-AGHHOFFYSA-N 0 1 415.509 4.036 20 0 HIADMN O=C(NCc1sccc1Br)c1cc(Br)cc2nc[nH]c21 ZINC000503441872 912457958 /nfs/dbraw/zinc/45/79/58/912457958.db2.gz OYPCYSIGUFGPDW-UHFFFAOYSA-N 0 1 415.110 4.079 20 0 HIADMN Cc1ccc2nc(CNC(=O)NC(C)(C)Cc3ccc(Br)cc3)[nH]c2c1 ZINC000465839656 879477951 /nfs/dbraw/zinc/47/79/51/879477951.db2.gz OITPRJOGDJCVOE-UHFFFAOYSA-N 0 1 415.335 4.454 20 0 HIADMN Cc1nc(C)c(CNC(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)s1 ZINC000465886896 879542282 /nfs/dbraw/zinc/54/22/82/879542282.db2.gz FVMYKHMKBMUDEG-SFHVURJKSA-N 0 1 406.983 4.267 20 0 HIADMN C[C@H](CCc1cccn1C)NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000465906684 879568259 /nfs/dbraw/zinc/56/82/59/879568259.db2.gz HQTRHUZZCGVUDU-GOSISDBHSA-N 0 1 416.997 4.211 20 0 HIADMN CC[C@@H](NC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccncc1 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CC[C@@H](C)C[C@@H](C)NC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000466161317 879864929 /nfs/dbraw/zinc/86/49/29/879864929.db2.gz CYWVHFXXGDISRR-SJLPKXTDSA-N 0 1 404.599 4.138 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)N2CCCC2)o1 ZINC000466224265 879921424 /nfs/dbraw/zinc/92/14/24/879921424.db2.gz JHOIPPHOOONVRS-FPOVZHCZSA-N 0 1 417.937 4.161 20 0 HIADMN CN(Cc1cc(Cl)cn1C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000466229448 879931458 /nfs/dbraw/zinc/93/14/58/879931458.db2.gz YRUQGASFJJEGKE-LJQANCHMSA-N 0 1 409.361 4.310 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)c3cncc(-c4ccc(C)cc4)c3)n2)c(OC)c1 ZINC000466296199 880042670 /nfs/dbraw/zinc/04/26/70/880042670.db2.gz CPTTWOQPQHIXHR-UHFFFAOYSA-N 0 1 415.453 4.112 20 0 HIADMN Cn1cc(CNCc2cc(Cl)ccc2N2CCOCC2)c(C2CCCCC2)n1 ZINC000466361136 880119138 /nfs/dbraw/zinc/11/91/38/880119138.db2.gz PTKXMAZLXNKNBO-UHFFFAOYSA-N 0 1 402.970 4.248 20 0 HIADMN Cc1cc(CNCc2ccccc2OC(F)F)ccc1I ZINC000466363640 880122114 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C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(COc2ccccc2F)on1 ZINC000466434964 880209831 /nfs/dbraw/zinc/20/98/31/880209831.db2.gz OZMNAPVPHSUKMR-SFHVURJKSA-N 0 1 423.488 4.129 20 0 HIADMN Cc1ccc(-c2nnc(NC(=O)c3cc(COc4ccccc4F)on3)s2)c(C)c1 ZINC000466443014 880218294 /nfs/dbraw/zinc/21/82/94/880218294.db2.gz ZXPHNOBPFPXOCZ-UHFFFAOYSA-N 0 1 424.457 4.780 20 0 HIADMN O=C(NCc1ccc(Cl)cc1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000466444576 880221088 /nfs/dbraw/zinc/22/10/88/880221088.db2.gz ASJWMHCZCFDRBP-HNNXBMFYSA-N 0 1 409.799 4.066 20 0 HIADMN O=C(NCCC(c1ccccc1)c1ccccc1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000466461190 880241069 /nfs/dbraw/zinc/24/10/69/880241069.db2.gz PQLTVXUMLOIAMP-QHCPKHFHSA-N 0 1 411.509 4.416 20 0 HIADMN Cc1ccc(C2=NN(C(=O)CN(C)CCC3CCOCC3)[C@@H](c3ccco3)C2)cc1 ZINC000466463677 880245179 /nfs/dbraw/zinc/24/51/79/880245179.db2.gz IJRZHQDVSZYSJW-JOCHJYFZSA-N 0 1 409.530 4.014 20 0 HIADMN C[C@@H](NC(=O)N1CCN(Cc2cccc3ccccc32)CC1)c1nc(C(C)(C)C)no1 ZINC000466467030 880248641 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20 0 HIADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000469284892 883382428 /nfs/dbraw/zinc/38/24/28/883382428.db2.gz ZFOOGALIGWXLQG-UHFFFAOYSA-N 0 1 405.523 4.047 20 0 HIADMN COc1cc2nc(C)sc2cc1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000469391562 883542514 /nfs/dbraw/zinc/54/25/14/883542514.db2.gz SENOIVRMNGEKRK-UHFFFAOYSA-N 0 1 424.570 4.073 20 0 HIADMN COC(=O)c1cccc2nc(NC(=O)c3csc(-c4ccc(F)c(F)c4)n3)[nH]c21 ZINC000503624484 912723152 /nfs/dbraw/zinc/72/31/52/912723152.db2.gz DMCHEZIZLRBDOU-UHFFFAOYSA-N 0 1 414.393 4.004 20 0 HIADMN COC(=O)c1cccc2nc(NC(=O)c3cccc(Br)c3Cl)[nH]c21 ZINC000503631213 912732781 /nfs/dbraw/zinc/73/27/81/912732781.db2.gz SSMSKCAXAJKXDT-UHFFFAOYSA-N 0 1 408.639 4.018 20 0 HIADMN O=C(CN1CCC(Cc2ccc(F)c(F)c2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000469453440 883655524 /nfs/dbraw/zinc/65/55/24/883655524.db2.gz ZASUHIQIEGJEEM-INIZCTEOSA-N 0 1 404.423 4.020 20 0 HIADMN CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(CN(C)C)c(Br)c1)CC2 ZINC000469487178 883721774 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COc1cccc(-c2cc(NC(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)n(C)n2)c1 ZINC000477065147 891998077 /nfs/dbraw/zinc/99/80/77/891998077.db2.gz KQRJVHHUMAQOIV-UHFFFAOYSA-N 0 1 417.469 4.055 20 0 HIADMN O=c1nc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000477073178 892006032 /nfs/dbraw/zinc/00/60/32/892006032.db2.gz XIVYHRGCTRKYBA-JOCHJYFZSA-N 0 1 413.518 4.183 20 0 HIADMN Cc1cc(Br)ccc1CN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000477119976 892049460 /nfs/dbraw/zinc/04/94/60/892049460.db2.gz KKQUEUWAILQDKI-CQSZACIVSA-N 0 1 404.352 4.368 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1)C2 ZINC000477124159 892053217 /nfs/dbraw/zinc/05/32/17/892053217.db2.gz DOXAJDGKRPYGKB-GDZNZVCISA-N 0 1 420.326 4.212 20 0 HIADMN COc1ccccc1C[C@H](NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C)C(C)C ZINC000477140904 892068103 /nfs/dbraw/zinc/06/81/03/892068103.db2.gz RMTAQTOEJBRJKW-QHCPKHFHSA-N 0 1 424.589 4.144 20 0 HIADMN COc1cc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)ccc1F ZINC000504900480 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HIADMN CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@H](c1ccco1)N1CCCC1)CCC2 ZINC000477579578 892645465 /nfs/dbraw/zinc/64/54/65/892645465.db2.gz NUYIUWNYLUFYAJ-IAGOWNOFSA-N 0 1 402.564 4.154 20 0 HIADMN C[C@@H]1CN(c2ccnc(C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)c2)C[C@H](C)O1 ZINC000477606720 892691214 /nfs/dbraw/zinc/69/12/14/892691214.db2.gz GIJGTIJDEUTFFE-GASCZTMLSA-N 0 1 405.502 4.091 20 0 HIADMN CN1CCN(C)[C@H](CNC(=O)Nc2cc(Cl)ccc2Oc2ccc(Cl)cc2)C1 ZINC000477614970 892710767 /nfs/dbraw/zinc/71/07/67/892710767.db2.gz OPKACHXQZBXZSF-MRXNPFEDSA-N 0 1 423.344 4.153 20 0 HIADMN COc1cc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c(OC)c1 ZINC000504951158 913691719 /nfs/dbraw/zinc/69/17/19/913691719.db2.gz VZVVOTYLGDOVEY-UHFFFAOYSA-N 0 1 417.937 4.452 20 0 HIADMN COc1ccc(-c2csc(NC(=O)CN3CCC[C@H]3C3CCC3)n2)c(OC)c1 ZINC000477625093 892738244 /nfs/dbraw/zinc/73/82/44/892738244.db2.gz GUEPDSIMMMEHBR-SFHVURJKSA-N 0 1 401.532 4.030 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)NCc1nc(C(C)C)cs1)N1CCCCC1 ZINC000477631998 892750288 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Cc1nc2ccccc2n1C1CCN([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000482864930 898475751 /nfs/dbraw/zinc/47/57/51/898475751.db2.gz IVSXSMVSZSGOIX-GOSISDBHSA-N 0 1 402.542 4.350 20 0 HIADMN COc1cc([C@@H](C)NCc2ccnc(O[C@@H](C)CC(C)C)c2)ccc1S(C)(=O)=O ZINC000482889620 898505868 /nfs/dbraw/zinc/50/58/68/898505868.db2.gz PDJUYUJXWZUOOI-DLBZAZTESA-N 0 1 420.575 4.158 20 0 HIADMN Cc1c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cnn1-c1cc(C)ccc1C ZINC000482890274 898507861 /nfs/dbraw/zinc/50/78/61/898507861.db2.gz RAFWQMVELAROCL-XXBNENTESA-N 0 1 404.558 4.148 20 0 HIADMN Cc1nc2ccccc2n1C1CCN([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000482892628 898510846 /nfs/dbraw/zinc/51/08/46/898510846.db2.gz CBDWYDRHMNBJPQ-QFIPXVFZSA-N 0 1 408.933 4.441 20 0 HIADMN COCCN(Cc1sccc1Br)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000482947157 898573069 /nfs/dbraw/zinc/57/30/69/898573069.db2.gz MZKPBJAPBWWBBP-UHFFFAOYSA-N 0 1 420.332 4.190 20 0 HIADMN COc1ccc(OC)c([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000482950003 898577700 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CCn1c2ccc(Br)cc2nc1CNCc1ccc(-n2ccnc2)cc1 ZINC000483511273 899173571 /nfs/dbraw/zinc/17/35/71/899173571.db2.gz IBTANWMTQVXHPY-UHFFFAOYSA-N 0 1 410.319 4.294 20 0 HIADMN CCCN(CCC(=O)Nc1cccnc1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000483517531 899177193 /nfs/dbraw/zinc/17/71/93/899177193.db2.gz FRTNYAFVDAOSTE-UHFFFAOYSA-N 0 1 409.317 4.068 20 0 HIADMN Cc1cc(=O)n2nc(CN3C[C@H](C)C[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000483619484 899270928 /nfs/dbraw/zinc/27/09/28/899270928.db2.gz FVIZGZVNCGNICP-IAQYHMDHSA-N 0 1 408.449 4.061 20 0 HIADMN COc1ccccc1O[C@@H](C)CN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000483627821 899281781 /nfs/dbraw/zinc/28/17/81/899281781.db2.gz XGBCAZVLTSPQPA-GJZGRUSLSA-N 0 1 400.910 4.356 20 0 HIADMN Cc1cc(-c2noc([C@H](C)NC3CCN(C(=O)CC(C)(C)C)CC3)n2)ccc1F ZINC000483652152 899310176 /nfs/dbraw/zinc/31/01/76/899310176.db2.gz INBSGGBLAXWTGW-HNNXBMFYSA-N 0 1 402.514 4.262 20 0 HIADMN CC[C@@H](Cc1ccc(OC)c(OC)c1)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000483662707 899324317 /nfs/dbraw/zinc/32/43/17/899324317.db2.gz ZLWHXGZSXWRPLR-YJBOKZPZSA-N 0 1 411.502 4.434 20 0 HIADMN C[C@@H]1CN(C2CCN(C(=O)C3(Cc4cccc(F)c4)CCCCC3)CC2)CCO1 ZINC000483697373 899354778 /nfs/dbraw/zinc/35/47/78/899354778.db2.gz MDCBMCGNUHSJFG-LJQANCHMSA-N 0 1 402.554 4.030 20 0 HIADMN C[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1nc2ccccc2n1C(F)F ZINC000483708219 899362869 /nfs/dbraw/zinc/36/28/69/899362869.db2.gz GYZAUVZBAADALN-CQSZACIVSA-N 0 1 419.451 4.063 20 0 HIADMN Cc1cc(-n2ccnc2)ccc1CN[C@@H](CCO)c1ccccc1Br ZINC000483730523 899390576 /nfs/dbraw/zinc/39/05/76/899390576.db2.gz RXWBBFJMBPHEET-FQEVSTJZSA-N 0 1 400.320 4.157 20 0 HIADMN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(-c2ccccn2)c1 ZINC000505642563 914343074 /nfs/dbraw/zinc/34/30/74/914343074.db2.gz XBSOYIZGHBWSQO-UHFFFAOYSA-N 0 1 402.498 4.168 20 0 HIADMN Cc1ccc2c(c1)[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)CC2 ZINC000483744109 899407618 /nfs/dbraw/zinc/40/76/18/899407618.db2.gz OXQQAXXMJMTPPC-QFIPXVFZSA-N 0 1 408.523 4.363 20 0 HIADMN COc1ccc(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c(OCCC(C)C)c1 ZINC000483838223 899517147 /nfs/dbraw/zinc/51/71/47/899517147.db2.gz YHCLBTWGSOOHRR-UHFFFAOYSA-N 0 1 410.474 4.166 20 0 HIADMN CC(C)c1c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cnn1-c1ccccc1Cl ZINC000483838479 899519045 /nfs/dbraw/zinc/51/90/45/899519045.db2.gz LCFNHRWJIYMCQC-UHFFFAOYSA-N 0 1 407.865 4.082 20 0 HIADMN C[C@@H](NCc1cc(Cl)ccc1OC(F)F)c1cccc(NS(C)(=O)=O)c1 ZINC000483841445 899521080 /nfs/dbraw/zinc/52/10/80/899521080.db2.gz OJXFEMQBLQLDJS-LLVKDONJSA-N 0 1 404.866 4.164 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3cc(OC)c(OC)cc3F)ccc2NC1=O ZINC000483851803 899532539 /nfs/dbraw/zinc/53/25/39/899532539.db2.gz QUYFSRNIHPOOFV-LXIYXOSZSA-N 0 1 402.466 4.364 20 0 HIADMN CC(C)c1ccc([C@H](NC(=O)N2CCC[C@H](CN3CCOCC3)C2)C(C)C)cc1 ZINC000483881539 899557689 /nfs/dbraw/zinc/55/76/89/899557689.db2.gz FHOXQENDIFZPIW-NFBKMPQASA-N 0 1 401.595 4.261 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000483910985 899579723 /nfs/dbraw/zinc/57/97/23/899579723.db2.gz AFEOIMJCKHSZQX-UHFFFAOYSA-N 0 1 403.929 4.456 20 0 HIADMN O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCC(CCCN2CCOCC2)CC1 ZINC000483934129 899592017 /nfs/dbraw/zinc/59/20/17/899592017.db2.gz PSDGKGQESXJLQV-UHFFFAOYSA-N 0 1 412.534 4.062 20 0 HIADMN O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCC(CCCN2CCOCC2)CC1 ZINC000483936389 899593731 /nfs/dbraw/zinc/59/37/31/899593731.db2.gz ZQTOWIAOBXWMCJ-UHFFFAOYSA-N 0 1 413.484 4.148 20 0 HIADMN COc1ccc(Cl)c(CNC2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000484066107 899699960 /nfs/dbraw/zinc/69/99/60/899699960.db2.gz GQLGAENILWZBIX-UHFFFAOYSA-N 0 1 418.921 4.407 20 0 HIADMN CC(C)(NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1 ZINC000505678105 914370730 /nfs/dbraw/zinc/37/07/30/914370730.db2.gz OITXVZMSSSXVRW-QGZVFWFLSA-N 0 1 420.351 4.414 20 0 HIADMN COc1ccc([C@@H](C)NCc2cc(F)ccc2N2CCOCC2)cc1Br ZINC000484134353 899755767 /nfs/dbraw/zinc/75/57/67/899755767.db2.gz QDVIGCXEIZUKKF-CQSZACIVSA-N 0 1 423.326 4.284 20 0 HIADMN COc1ccc(-c2nc3c(s2)[C@@H](NCc2ccccc2OCCO)CCC3)cc1 ZINC000484146961 899767970 /nfs/dbraw/zinc/76/79/70/899767970.db2.gz OHJIEIZVYKPEBR-IBGZPJMESA-N 0 1 410.539 4.357 20 0 HIADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000484181300 899797872 /nfs/dbraw/zinc/79/78/72/899797872.db2.gz UEEOGEZAVVQILI-UZUQRXQVSA-N 0 1 412.530 4.368 20 0 HIADMN Cc1ccccc1C(NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C)c1ccccc1C ZINC000484202472 899811617 /nfs/dbraw/zinc/81/16/17/899811617.db2.gz DVSITDWNLWDXBG-UHFFFAOYSA-N 0 1 412.493 4.332 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000484243858 899829888 /nfs/dbraw/zinc/82/98/88/899829888.db2.gz GGQKUIFSDKQBSI-VLIAUNLRSA-N 0 1 402.498 4.226 20 0 HIADMN Cc1ccc(NC(=O)[C@H](C)N[C@H]2CCCc3c(O)cccc32)c(Br)c1 ZINC000484300859 899862766 /nfs/dbraw/zinc/86/27/66/899862766.db2.gz SXJQXSXOCGLOOH-GUYCJALGSA-N 0 1 403.320 4.457 20 0 HIADMN COc1ccc(-c2csc(NC(=O)CN[C@H]3CCCc4c(O)cccc43)n2)cc1 ZINC000484318417 899875986 /nfs/dbraw/zinc/87/59/86/899875986.db2.gz UPYGFMMCGKHHIH-SFHVURJKSA-N 0 1 409.511 4.130 20 0 HIADMN O=C([C@H]1CCCN1c1nccs1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000484321664 899877284 /nfs/dbraw/zinc/87/72/84/899877284.db2.gz AZQLYJYEKFQSFC-HZPDHXFCSA-N 0 1 401.923 4.005 20 0 HIADMN Cc1nc(C)c(-c2nnc(SCCCN3CCN(c4ccccc4)CC3)o2)s1 ZINC000505700790 914388775 /nfs/dbraw/zinc/38/87/75/914388775.db2.gz RKOXRFZVKJVFOZ-UHFFFAOYSA-N 0 1 415.588 4.114 20 0 HIADMN COc1cccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000484374221 899915463 /nfs/dbraw/zinc/91/54/63/899915463.db2.gz VHAGTUVHSLZENB-MRXNPFEDSA-N 0 1 414.502 4.486 20 0 HIADMN C[C@@H](NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cncc(F)c1 ZINC000484373433 899915833 /nfs/dbraw/zinc/91/58/33/899915833.db2.gz QHUIXYYDPAUYRN-CQSZACIVSA-N 0 1 403.454 4.011 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000484380186 899918472 /nfs/dbraw/zinc/91/84/72/899918472.db2.gz ANKNNHUCQDCGDC-QFIPXVFZSA-N 0 1 415.497 4.398 20 0 HIADMN O=C(NCc1ccc(F)cc1)c1nnc(CN[C@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC000484618024 900073507 /nfs/dbraw/zinc/07/35/07/900073507.db2.gz PQXIHLAOYAANJR-UXHICEINSA-N 0 1 424.545 4.423 20 0 HIADMN CC[C@H](NCc1ccc(F)cc1CSC)c1ccccc1OCC(=O)N(C)C ZINC000484635163 900085202 /nfs/dbraw/zinc/08/52/02/900085202.db2.gz DJMTVCCDXCRSJJ-FQEVSTJZSA-N 0 1 404.551 4.397 20 0 HIADMN CCO[C@@H]1COCC[C@@H]1N[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000484659706 900104717 /nfs/dbraw/zinc/10/47/17/900104717.db2.gz YXNJNOLFJYKCTR-XUVXKRRUSA-N 0 1 423.340 4.457 20 0 HIADMN CCN1CC[NH+](Cc2ccc(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)cc2)CC1 ZINC000484694586 900130519 /nfs/dbraw/zinc/13/05/19/900130519.db2.gz IVCCHDKIIBXNSW-NRFANRHFSA-N 0 1 419.491 4.499 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000484723071 900153375 /nfs/dbraw/zinc/15/33/75/900153375.db2.gz CWEMSGHXDPLWEG-KRWDZBQOSA-N 0 1 418.328 4.255 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCc4ccc(F)cc43)c2C1 ZINC000484730293 900157834 /nfs/dbraw/zinc/15/78/34/900157834.db2.gz ATARNRKWDJYPTR-OPAMFIHVSA-N 0 1 423.532 4.318 20 0 HIADMN CCCN(CCC)C(=O)c1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000484754379 900172158 /nfs/dbraw/zinc/17/21/58/900172158.db2.gz JVOZLIATGFNIBE-FQEVSTJZSA-N 0 1 401.576 4.043 20 0 HIADMN CCCCc1nnc(NC(=O)CN[C@@H](C)c2ccc(OC(F)(F)F)cc2)s1 ZINC000484871604 900260073 /nfs/dbraw/zinc/26/00/73/900260073.db2.gz FRGCRWDLUNPZPA-NSHDSACASA-N 0 1 402.442 4.069 20 0 HIADMN COc1ccc(C(=O)CCC(=O)N[C@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000505757067 914429035 /nfs/dbraw/zinc/42/90/35/914429035.db2.gz FIQCIJHUHMLYJD-OAQYLSRUSA-N 0 1 414.933 4.265 20 0 HIADMN CCCN(CCC)C(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000484913510 900290887 /nfs/dbraw/zinc/29/08/87/900290887.db2.gz BGCFIHIGEVHIMC-LJQANCHMSA-N 0 1 401.576 4.043 20 0 HIADMN Cc1cc(C)c(NC(=O)CCCN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1 ZINC000484978939 900335756 /nfs/dbraw/zinc/33/57/56/900335756.db2.gz ILTAKEUJHHOQDG-IBGZPJMESA-N 0 1 416.587 4.427 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000505767619 914435925 /nfs/dbraw/zinc/43/59/25/914435925.db2.gz TVXOURFFXDIAGI-UHFFFAOYSA-N 0 1 408.477 4.374 20 0 HIADMN O=C(CCN1CCc2c(cnn2-c2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000485004753 900356840 /nfs/dbraw/zinc/35/68/40/900356840.db2.gz XAKKYHXIUFHUAD-UHFFFAOYSA-N 0 1 414.431 4.278 20 0 HIADMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1n[nH]c2ccc(Br)cc21 ZINC000485090756 900403180 /nfs/dbraw/zinc/40/31/80/900403180.db2.gz DZHHVHPEOYTGBX-UHFFFAOYSA-N 0 1 423.230 4.109 20 0 HIADMN COc1ccc([C@H](CNC(=O)Cc2c[nH]c3cccc(OC)c23)N2CCCCC2)cc1 ZINC000485100261 900409217 /nfs/dbraw/zinc/40/92/17/900409217.db2.gz IHQBNLHCLAVBHP-QFIPXVFZSA-N 0 1 421.541 4.071 20 0 HIADMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc(OCc2ccccn2)cc1 ZINC000485100255 900409570 /nfs/dbraw/zinc/40/95/70/900409570.db2.gz BWPXETRPGXWSSA-UHFFFAOYSA-N 0 1 411.421 4.444 20 0 HIADMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cc(F)ccc1Br ZINC000485107100 900414777 /nfs/dbraw/zinc/41/47/77/900414777.db2.gz NCCSPWMAVLMYOO-UHFFFAOYSA-N 0 1 401.195 4.372 20 0 HIADMN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000485121810 900426806 /nfs/dbraw/zinc/42/68/06/900426806.db2.gz DTHIILTUBIMBPA-CYBMUJFWSA-N 0 1 424.925 4.460 20 0 HIADMN COCCOc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)c(Cl)c1 ZINC000485126524 900430343 /nfs/dbraw/zinc/43/03/43/900430343.db2.gz IEFWOPQUFALSAB-UHFFFAOYSA-N 0 1 412.833 4.149 20 0 HIADMN O=C(CCc1cc(F)ccc1F)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000505784890 914452356 /nfs/dbraw/zinc/45/23/56/914452356.db2.gz QAEVJMVRJOZKBQ-UHFFFAOYSA-N 0 1 415.484 4.351 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C3(c4ccccc4)CCC3)CC2)c1C ZINC000485207575 900497036 /nfs/dbraw/zinc/49/70/36/900497036.db2.gz VMKXQBVZOXACHH-UHFFFAOYSA-N 0 1 421.585 4.252 20 0 HIADMN CCC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Br)CCN1CCOC ZINC000485217890 900506221 /nfs/dbraw/zinc/50/62/21/900506221.db2.gz LMPCQMZEDCRGGT-CYBMUJFWSA-N 0 1 418.763 4.067 20 0 HIADMN CC[C@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1c(C)noc1C ZINC000505795465 914459382 /nfs/dbraw/zinc/45/93/82/914459382.db2.gz KMCLPKHXZQVWKY-FQEVSTJZSA-N 0 1 412.534 4.238 20 0 HIADMN CCOc1cc(CNCc2ccc(OC(C)(C)C)nc2)cc(Br)c1O ZINC000485270359 900551089 /nfs/dbraw/zinc/55/10/89/900551089.db2.gz KURJQSGSNINTEA-UHFFFAOYSA-N 0 1 409.324 4.416 20 0 HIADMN O=C(CCc1nc2ccccc2o1)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000505797679 914463192 /nfs/dbraw/zinc/46/31/92/914463192.db2.gz WGHOUJHWAMNDCX-UHFFFAOYSA-N 0 1 420.513 4.214 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1ccc(F)cc1 ZINC000505805607 914465899 /nfs/dbraw/zinc/46/58/99/914465899.db2.gz TYHXDIJKYPNWIA-KRWDZBQOSA-N 0 1 405.445 4.260 20 0 HIADMN COc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1OCC(F)(F)F ZINC000485384921 900680658 /nfs/dbraw/zinc/68/06/58/900680658.db2.gz RHCBOUZXFHEWNK-UHFFFAOYSA-N 0 1 413.776 4.230 20 0 HIADMN CN(CC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCSC1 ZINC000485386972 900683795 /nfs/dbraw/zinc/68/37/95/900683795.db2.gz 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418.696 4.115 20 0 HIADMN Clc1cc2c(c(CNCc3n[nH]c(-c4ccc(Br)cc4)n3)c1)OCC2 ZINC000541205223 939485528 /nfs/dbraw/zinc/48/55/28/939485528.db2.gz UEHDPLKSKHWQFE-UHFFFAOYSA-N 0 1 419.710 4.112 20 0 HIADMN Clc1cc2c(c(CNCc3nc(-c4ccc(Br)cc4)n[nH]3)c1)OCC2 ZINC000541205223 939485529 /nfs/dbraw/zinc/48/55/29/939485529.db2.gz UEHDPLKSKHWQFE-UHFFFAOYSA-N 0 1 419.710 4.112 20 0 HIADMN CCc1nc([C@@H](C)N[C@@H](C)CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cs1 ZINC000541223803 939486471 /nfs/dbraw/zinc/48/64/71/939486471.db2.gz LHSPETZYDOKIEN-UONOGXRCSA-N 0 1 400.548 4.122 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000541265181 939488413 /nfs/dbraw/zinc/48/84/13/939488413.db2.gz DZXGQOKTBYOXSG-BJKOFHAPSA-N 0 1 402.542 4.429 20 0 HIADMN O=C(CCc1cc(F)ccc1Br)NC[C@H](c1ccco1)N1CCCC1 ZINC000541267661 939488574 /nfs/dbraw/zinc/48/85/74/939488574.db2.gz IYBZLBUIKGLLMO-QGZVFWFLSA-N 0 1 409.299 4.067 20 0 HIADMN COc1ccc(C2(CNC(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)CCC2)cc1 ZINC000541343584 939493239 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O=C(CCCCc1cn[nH]n1)N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000541574568 939558782 /nfs/dbraw/zinc/55/87/82/939558782.db2.gz IRCQRWCQDVNQDE-FQEVSTJZSA-N 0 1 413.319 4.186 20 0 HIADMN Cc1cc([C@@H](C)NCC(=O)NCc2cccc(OCC(F)(F)F)c2)c(C)s1 ZINC000541580234 939559430 /nfs/dbraw/zinc/55/94/30/939559430.db2.gz YRNHVEWGNRDPHH-CYBMUJFWSA-N 0 1 400.466 4.273 20 0 HIADMN CC[C@@H](NCC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)c1c(C)nn(C)c1C ZINC000541593742 939562114 /nfs/dbraw/zinc/56/21/14/939562114.db2.gz YYSLBRWXRQJTES-AUSIDOKSSA-N 0 1 410.587 4.353 20 0 HIADMN CC[C@H](N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000541598500 939563457 /nfs/dbraw/zinc/56/34/57/939563457.db2.gz ROEJMGKYNDGZOL-AVRDEDQJSA-N 0 1 404.558 4.372 20 0 HIADMN CC[C@H](N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000541598501 939563536 /nfs/dbraw/zinc/56/35/36/939563536.db2.gz ROEJMGKYNDGZOL-GCJKJVERSA-N 0 1 404.558 4.372 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)N[C@@H](C)c1ccccc1Cl ZINC000541599190 939563981 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C[C@@H]1CN(Cc2ccc(CN[C@H](c3ccc(F)cc3)c3cnccn3)cc2)C[C@H](C)O1 ZINC000542481841 939830769 /nfs/dbraw/zinc/83/07/69/939830769.db2.gz HMZJFLMBMYDBAX-HHJKRLRDSA-N 0 1 420.532 4.104 20 0 HIADMN CC(C)([C@H](NC(=O)Cc1noc2ccccc21)c1ccc(F)c(F)c1)N1CCCC1 ZINC000542481378 939830900 /nfs/dbraw/zinc/83/09/00/939830900.db2.gz VJCKMNUCSYXHPC-JOCHJYFZSA-N 0 1 413.468 4.380 20 0 HIADMN Fc1ccc(-c2nnc3n2C[C@H](N[C@H](c2ccc(F)cc2)c2ccccn2)CC3)cc1 ZINC000542498200 939832892 /nfs/dbraw/zinc/83/28/92/939832892.db2.gz HAMCYAUNTGZYQB-NFBKMPQASA-N 0 1 417.463 4.312 20 0 HIADMN Fc1ccc(-c2nnc3n2C[C@@H](N[C@H](c2ccc(F)cc2)c2ccccn2)CC3)cc1 ZINC000542498201 939833039 /nfs/dbraw/zinc/83/30/39/939833039.db2.gz HAMCYAUNTGZYQB-NZQKXSOJSA-N 0 1 417.463 4.312 20 0 HIADMN CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H](O)CCc1ccccc1 ZINC000542507920 939834557 /nfs/dbraw/zinc/83/45/57/939834557.db2.gz VXLSSRSZWWMOPH-SFHVURJKSA-N 0 1 408.464 4.348 20 0 HIADMN Cc1ccc(-n2ncc(C(=O)Nc3cccc(-c4cn[nH]n4)c3)c2C(F)(F)F)cc1 ZINC000542511154 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CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl)c1ccco1 ZINC000542604635 939847713 /nfs/dbraw/zinc/84/77/13/939847713.db2.gz BHYNIXCECBFXTG-AWEZNQCLSA-N 0 1 413.852 4.008 20 0 HIADMN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1CCC2(CCOCC2)[C@@H]1C ZINC000542646605 939851434 /nfs/dbraw/zinc/85/14/34/939851434.db2.gz JPLSENKETKCARW-GJZGRUSLSA-N 0 1 403.523 4.167 20 0 HIADMN Cn1ccc([C@@H](NCC2CCN(C(=O)c3ccccc3)CC2)c2ccc(Cl)cc2)n1 ZINC000542663658 939852403 /nfs/dbraw/zinc/85/24/03/939852403.db2.gz KHZXFJBGCJHKKJ-QHCPKHFHSA-N 0 1 422.960 4.305 20 0 HIADMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2cccc3c2OCCCO3)cc1 ZINC000542666580 939852777 /nfs/dbraw/zinc/85/27/77/939852777.db2.gz OOQXPVBHZSWWLU-IFMALSPDSA-N 0 1 415.555 4.031 20 0 HIADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)CCN1C ZINC000542695236 939854803 /nfs/dbraw/zinc/85/48/03/939854803.db2.gz QXXMMIZOCSUZJN-NXEZZACHSA-N 0 1 414.255 4.491 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)N1CCCC1 ZINC000542726268 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0 HIADMN CC[C@H](N[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000566641082 946060083 /nfs/dbraw/zinc/06/00/83/946060083.db2.gz KMVSMLYHSQUXFT-LPHOPBHVSA-N 0 1 417.985 4.136 20 0 HIADMN CC[C@@H](NCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(Cl)s1 ZINC000566705270 946076615 /nfs/dbraw/zinc/07/66/15/946076615.db2.gz HGPDQFGPNHWCBY-GFCCVEGCSA-N 0 1 412.740 4.413 20 0 HIADMN O=S(=O)(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc2ncccc2c1 ZINC000566711081 946080913 /nfs/dbraw/zinc/08/09/13/946080913.db2.gz UWEVBBTTXTUSPY-UHFFFAOYSA-N 0 1 416.352 4.238 20 0 HIADMN Cc1ccccc1-n1cc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)nn1 ZINC000566818857 946109976 /nfs/dbraw/zinc/10/99/76/946109976.db2.gz JKEBIUJCGPPRCS-UHFFFAOYSA-N 0 1 418.545 4.002 20 0 HIADMN Fc1ccccc1CCCNCc1c(Br)cncc1Br ZINC000566887955 946157201 /nfs/dbraw/zinc/15/72/01/946157201.db2.gz VXKRYCJPMVQLHG-UHFFFAOYSA-N 0 1 402.105 4.468 20 0 HIADMN Brc1ccn2cc(CN3CCC[C@H]3Cn3cnc4ccccc43)nc2c1 ZINC000566945575 946183817 /nfs/dbraw/zinc/18/38/17/946183817.db2.gz 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O=C(c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1)N1CCCCC1 ZINC000055650857 850096578 /nfs/dbraw/zinc/09/65/78/850096578.db2.gz MSZLMRSCCZSKSV-UHFFFAOYSA-N 0 1 412.433 4.132 20 0 HIADMN CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3O)n2)cc1 ZINC000436913572 862091458 /nfs/dbraw/zinc/09/14/58/862091458.db2.gz ZDOWSXILTLLFSJ-UHFFFAOYSA-N 0 1 417.263 4.402 20 0 HIADMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c(C)s1 ZINC000055663285 850102644 /nfs/dbraw/zinc/10/26/44/850102644.db2.gz DMCNQATYGFKSNP-UHFFFAOYSA-N 0 1 400.953 4.205 20 0 HIADMN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1Cl ZINC000055663275 850102725 /nfs/dbraw/zinc/10/27/25/850102725.db2.gz LAVOZXRBEHBLML-UHFFFAOYSA-N 0 1 419.305 4.319 20 0 HIADMN COc1ccc2[nH]cc(C3CCN(C(=O)c4c[nH]c5ccccc5c4=O)CC3)c2c1 ZINC000055681666 850109753 /nfs/dbraw/zinc/10/97/53/850109753.db2.gz BBIQTXOYPVVVES-UHFFFAOYSA-N 0 1 401.466 4.038 20 0 HIADMN C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)ccc2[O-])[C@H]1c1cccs1 ZINC000436917884 862098107 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COc1cc(-c2ccccc2)sc1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000057167778 850566656 /nfs/dbraw/zinc/56/66/56/850566656.db2.gz NHBRJOCPCLXEQE-UHFFFAOYSA-N 0 1 407.539 4.213 20 0 HIADMN Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000057236688 850587227 /nfs/dbraw/zinc/58/72/27/850587227.db2.gz ZMWQIARIGHMNFT-UHFFFAOYSA-N 0 1 405.389 4.017 20 0 HIADMN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000057543099 850664783 /nfs/dbraw/zinc/66/47/83/850664783.db2.gz TUGZBCBDFJWNQU-HXUWFJFHSA-N 0 1 410.518 4.285 20 0 HIADMN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCCN1C(=O)c1c(O)cccc1F ZINC000436979056 862156921 /nfs/dbraw/zinc/15/69/21/862156921.db2.gz KEAJVGZBZLNSSU-OAHLLOKOSA-N 0 1 411.260 4.472 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N[C@@H](C)Cc2ccsc2)N2CCCCC2)cc1 ZINC000057792248 850717473 /nfs/dbraw/zinc/71/74/73/850717473.db2.gz KDAITFPFHPSIRU-LAUBAEHRSA-N 0 1 401.576 4.214 20 0 HIADMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000057886414 850738164 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O=C(Cc1cccc2cccnc21)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000058369063 850811141 /nfs/dbraw/zinc/81/11/41/850811141.db2.gz KEHPLBFQAQDLMD-UHFFFAOYSA-N 0 1 416.525 4.231 20 0 HIADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1c(F)cccc1F ZINC000058380339 850812033 /nfs/dbraw/zinc/81/20/33/850812033.db2.gz BGIAHLVPZDOHFC-UHFFFAOYSA-N 0 1 412.414 4.219 20 0 HIADMN O=C(/C=C/c1ccccc1F)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC000058379890 850812078 /nfs/dbraw/zinc/81/20/78/850812078.db2.gz FJVAKPSDMWLIKU-JXMROGBWSA-N 0 1 420.462 4.479 20 0 HIADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccc(F)cc1F ZINC000058379669 850812409 /nfs/dbraw/zinc/81/24/09/850812409.db2.gz VGYPUIWYHKHNEF-UHFFFAOYSA-N 0 1 412.414 4.219 20 0 HIADMN CN(Cc1cc(Br)ccc1F)C[C@H](O)COCc1ccccc1Cl ZINC000058396717 850815159 /nfs/dbraw/zinc/81/51/59/850815159.db2.gz URTBZJRJNPLQSF-INIZCTEOSA-N 0 1 416.718 4.251 20 0 HIADMN Cc1ccccc1COc1ccccc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000058413566 850817366 /nfs/dbraw/zinc/81/73/66/850817366.db2.gz 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ZINC000410055712 855803318 /nfs/dbraw/zinc/80/33/18/855803318.db2.gz BAJSRFPJWZJNNM-DEOSSOPVSA-N 0 1 410.537 4.240 20 0 HIADMN Cc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(C3CC3)[nH]n2)c(Br)c1 ZINC000410085770 855813163 /nfs/dbraw/zinc/81/31/63/855813163.db2.gz ISOSJODCXOGKDD-INIZCTEOSA-N 0 1 418.335 4.179 20 0 HIADMN O=C(N[C@H]1CCCC12CCOCC2)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000410090909 855814451 /nfs/dbraw/zinc/81/44/51/855814451.db2.gz XOCIPHVBKRTSHP-QHCPKHFHSA-N 0 1 407.558 4.016 20 0 HIADMN C[C@@H](NC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000410156341 855842813 /nfs/dbraw/zinc/84/28/13/855842813.db2.gz FNTHGHCADHVUEZ-MRXNPFEDSA-N 0 1 413.484 4.101 20 0 HIADMN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000410208888 855863551 /nfs/dbraw/zinc/86/35/51/855863551.db2.gz ORGUAZVXWMCDAU-UHFFFAOYSA-N 0 1 406.555 4.197 20 0 HIADMN Cc1cccc(CNC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000410263669 855888679 /nfs/dbraw/zinc/88/86/79/855888679.db2.gz FCNGEVNHHCMRFO-UHFFFAOYSA-N 0 1 405.464 4.431 20 0 HIADMN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCN(Cc3ccccn3)CC2)C2CC2)o1 ZINC000410319134 855925786 /nfs/dbraw/zinc/92/57/86/855925786.db2.gz STEIIMYQWYMYSS-VGSWGCGISA-N 0 1 408.546 4.137 20 0 HIADMN Cc1cccc2oc(CCNCc3cn(-c4cccc(Cl)c4Cl)nn3)nc21 ZINC000410356932 855947868 /nfs/dbraw/zinc/94/78/68/855947868.db2.gz YHEYWZHSFHTGSW-UHFFFAOYSA-N 0 1 402.285 4.356 20 0 HIADMN C[C@H](c1cccs1)N(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000410358915 855948587 /nfs/dbraw/zinc/94/85/87/855948587.db2.gz IYWDFFGJYAHDKC-KZNAEPCWSA-N 0 1 401.576 4.260 20 0 HIADMN CC(C)Oc1ccccc1NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410371662 855957198 /nfs/dbraw/zinc/95/71/98/855957198.db2.gz TXBCDPJUIHAXCQ-OALUTQOASA-N 0 1 411.546 4.405 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cc(Cl)ccc3F)cc2)C[C@H](C)O1 ZINC000410373861 855958817 /nfs/dbraw/zinc/95/88/17/855958817.db2.gz YEAZFVVYZKNTRI-GASCZTMLSA-N 0 1 405.901 4.410 20 0 HIADMN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)cc1C ZINC000410381616 855963471 /nfs/dbraw/zinc/96/34/71/855963471.db2.gz MIXWPKAQQRLIFE-UHFFFAOYSA-N 0 1 402.697 4.414 20 0 HIADMN O=S(=O)(Nc1cc(O)cc(F)c1)c1cc(C(F)(F)F)ccc1Br ZINC000410383640 855965098 /nfs/dbraw/zinc/96/50/98/855965098.db2.gz RVSVLPFAHMJFGB-UHFFFAOYSA-N 0 1 414.174 4.113 20 0 HIADMN COc1cncc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)c1 ZINC000410394083 855970823 /nfs/dbraw/zinc/97/08/23/855970823.db2.gz UENIGBBARGYPEL-UHFFFAOYSA-N 0 1 407.542 4.116 20 0 HIADMN c1csc(-c2nn(-c3ccccc3)cc2CN2CCC(Oc3cnccn3)CC2)c1 ZINC000425989023 856033447 /nfs/dbraw/zinc/03/34/47/856033447.db2.gz QINKQJBYDIJCEW-UHFFFAOYSA-N 0 1 417.538 4.434 20 0 HIADMN Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(Oc3cnccn3)CC2)o1 ZINC000425993894 856035422 /nfs/dbraw/zinc/03/54/22/856035422.db2.gz NBCGTMYBOPYLCC-UHFFFAOYSA-N 0 1 415.497 4.274 20 0 HIADMN CCN(CCNC(=O)N1CCC(c2c[nH]c3ccccc32)CC1)CCC(F)(F)F ZINC000425998333 856037463 /nfs/dbraw/zinc/03/74/63/856037463.db2.gz HZFWZKNHIUJTCV-UHFFFAOYSA-N 0 1 410.484 4.331 20 0 HIADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000426012116 856046083 /nfs/dbraw/zinc/04/60/83/856046083.db2.gz BJFSDBUDMADELW-UHFFFAOYSA-N 0 1 424.522 4.255 20 0 HIADMN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc([C@H](C)CC)cc1 ZINC000426012231 856046216 /nfs/dbraw/zinc/04/62/16/856046216.db2.gz CGYYWICFSSJPFX-OAHLLOKOSA-N 0 1 404.532 4.101 20 0 HIADMN Cc1ccc2cc([C@@H](C)NCc3ccc(N4CCCS4(=O)=O)c(F)c3)oc2c1 ZINC000426039512 856066037 /nfs/dbraw/zinc/06/60/37/856066037.db2.gz NCJIGEKBNJPWAF-OAHLLOKOSA-N 0 1 402.491 4.271 20 0 HIADMN CCN(CCN[C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C)CCC(F)(F)F ZINC000426072854 856088263 /nfs/dbraw/zinc/08/82/63/856088263.db2.gz YWYUYTXYMRUGSR-CYBMUJFWSA-N 0 1 403.880 4.154 20 0 HIADMN CCN(CCN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C)CCC(F)(F)F ZINC000426079585 856093172 /nfs/dbraw/zinc/09/31/72/856093172.db2.gz VABIFDIAAFBCQQ-ZDUSSCGKSA-N 0 1 403.880 4.154 20 0 HIADMN C[C@H](CCCC(F)(F)F)NC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000426094875 856104655 /nfs/dbraw/zinc/10/46/55/856104655.db2.gz XQDWQKKKQDHHBN-MFKMUULPSA-N 0 1 423.361 4.333 20 0 HIADMN Cc1cccc2nc(CCC(=O)NCCc3cc(Br)ccc3F)[nH]c21 ZINC000426098773 856106761 /nfs/dbraw/zinc/10/67/61/856106761.db2.gz JVGKKGVQGSSOSI-UHFFFAOYSA-N 0 1 404.283 4.064 20 0 HIADMN COc1cc(CNC(=O)CCc2nc3cccc(C)c3[nH]2)ccc1OC1CCCC1 ZINC000426105835 856111404 /nfs/dbraw/zinc/11/14/04/856111404.db2.gz XANINSOJTDZDFZ-UHFFFAOYSA-N 0 1 407.514 4.450 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)c3cc(-c4ccc(Cl)cc4)c[nH]3)n2)c(OC)c1 ZINC000426120441 856120750 /nfs/dbraw/zinc/12/07/50/856120750.db2.gz QXUMJAVUKYYSRO-UHFFFAOYSA-N 0 1 423.860 4.390 20 0 HIADMN CCOC(=O)c1c(CN2CC[C@H](O)[C@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000426121094 856121439 /nfs/dbraw/zinc/12/14/39/856121439.db2.gz XGUDDPQJSYQQRP-VGSWGCGISA-N 0 1 404.510 4.281 20 0 HIADMN CN(CC(=O)Nc1ccc(Br)cc1Cl)CC1(O)CCCCCC1 ZINC000426271134 856213527 /nfs/dbraw/zinc/21/35/27/856213527.db2.gz LOCLRXPUZUVBPX-UHFFFAOYSA-N 0 1 403.748 4.058 20 0 HIADMN Cc1cc(CN[C@H]2C[C@@H](C)c3c2cccc3Br)nc(N2CCCC2)n1 ZINC000426288074 856222638 /nfs/dbraw/zinc/22/26/38/856222638.db2.gz HUUOJFOEOAMRGE-ACJLOTCBSA-N 0 1 401.352 4.486 20 0 HIADMN CCN(CC)C(=O)Nc1ccc([C@H](C)NCc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000426291733 856225143 /nfs/dbraw/zinc/22/51/43/856225143.db2.gz STKSKALHSCFLMO-SFHVURJKSA-N 0 1 410.566 4.110 20 0 HIADMN CN1C[C@H](C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c2ccccc2C1=O ZINC000426374941 856264059 /nfs/dbraw/zinc/26/40/59/856264059.db2.gz YZDMVDIJGXPHMF-IBGZPJMESA-N 0 1 414.440 4.177 20 0 HIADMN COC(=O)c1nc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)sc1C(C)C ZINC000426382375 856268575 /nfs/dbraw/zinc/26/85/75/856268575.db2.gz ZYJFMIXDTFEAFL-OAHLLOKOSA-N 0 1 419.522 4.043 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N(Cc2cc(Br)ccc2F)C(C)C)n[nH]1 ZINC000426502135 856322281 /nfs/dbraw/zinc/32/22/81/856322281.db2.gz XXGYBTZJNHBEKU-LBPRGKRZSA-N 0 1 411.319 4.171 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)n[nH]1 ZINC000426507565 856324387 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420.475 4.456 20 0 HIADMN Cc1ccc([C@@H](NCCOc2ccc(C(F)(F)F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435905182 861163042 /nfs/dbraw/zinc/16/30/42/861163042.db2.gz DCCUMHFSQMKNSX-BEFAXECRSA-N 0 1 415.477 4.157 20 0 HIADMN CCc1ccnc(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000437749434 863073864 /nfs/dbraw/zinc/07/38/64/863073864.db2.gz MXBOHQFUCVNLCG-UHFFFAOYSA-N 0 1 400.954 4.009 20 0 HIADMN O=C(Nc1cccc(F)c1)C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000437751433 863076043 /nfs/dbraw/zinc/07/60/43/863076043.db2.gz QTPDXLFXPJVUNW-UHFFFAOYSA-N 0 1 410.468 4.060 20 0 HIADMN Cc1ccc(CN(Cc2cccs2)C(=O)CCc2nc[nH]n2)c(Br)c1 ZINC000467806969 881630971 /nfs/dbraw/zinc/63/09/71/881630971.db2.gz LKIOCLMEVZVAIS-UHFFFAOYSA-N 0 1 419.348 4.099 20 0 HIADMN CC(C)(CC(=O)N1CCC(CCN2CCOCC2)CC1)Cc1ccc(Cl)cc1 ZINC000437818885 863155233 /nfs/dbraw/zinc/15/52/33/863155233.db2.gz GYJQTQGIAHBSGL-UHFFFAOYSA-N 0 1 406.998 4.260 20 0 HIADMN Cc1ccc2nc(CNC(=O)C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)[nH]c2c1 ZINC000467808462 881633382 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CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(CSC)cc1 ZINC000437978026 863345709 /nfs/dbraw/zinc/34/57/09/863345709.db2.gz QUGBXPJGQCWLGA-UHFFFAOYSA-N 0 1 414.575 4.344 20 0 HIADMN CCOC(=O)Cn1nc(C)c(CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)c1C ZINC000438071267 863452405 /nfs/dbraw/zinc/45/24/05/863452405.db2.gz GJLGWBKPMYUKEE-CQSZACIVSA-N 0 1 412.559 4.346 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N(CCc3ccccn3)Cc3ccncc3)n[nH]2)c(C)c1 ZINC000438103147 863517304 /nfs/dbraw/zinc/51/73/04/863517304.db2.gz GXZPHARFRGWVIC-UHFFFAOYSA-N 0 1 411.509 4.369 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccco1 ZINC000438247995 863711035 /nfs/dbraw/zinc/71/10/35/863711035.db2.gz MTILELOGAKOPSJ-IXDOHACOSA-N 0 1 407.461 4.119 20 0 HIADMN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(Br)c1 ZINC000467847166 881693053 /nfs/dbraw/zinc/69/30/53/881693053.db2.gz VOEHFIQUBDRYNA-QGZVFWFLSA-N 0 1 419.363 4.011 20 0 HIADMN CCc1c(C(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)cnn1-c1cccc(Cl)c1 ZINC000438342603 863813336 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415.419 4.158 20 0 HIADMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)C1 ZINC000438404433 863850751 /nfs/dbraw/zinc/85/07/51/863850751.db2.gz WTMCFCQUGLMTSG-QGZVFWFLSA-N 0 1 418.925 4.006 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1ccc2c(c1)NC(=O)CC2 ZINC000438417142 863855977 /nfs/dbraw/zinc/85/59/77/863855977.db2.gz QAFJJBGVZAQKBQ-HXUWFJFHSA-N 0 1 412.921 4.183 20 0 HIADMN CC(C)Oc1ccccc1CC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438427451 863860664 /nfs/dbraw/zinc/86/06/64/863860664.db2.gz NYNSEHYITMIYAM-LJQANCHMSA-N 0 1 418.419 4.059 20 0 HIADMN O=C(C[C@@H]1CCc2ccccc2C1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438436662 863865284 /nfs/dbraw/zinc/86/52/84/863865284.db2.gz GGINVLBHLZBLSX-JLTOFOAXSA-N 0 1 414.431 4.224 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1CCSc2ccccc21 ZINC000438438809 863866062 /nfs/dbraw/zinc/86/60/62/863866062.db2.gz YFZAXWDRTXELAF-DOTOQJQBSA-N 0 1 418.444 4.309 20 0 HIADMN Cc1ccc(CSCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438439717 863867045 /nfs/dbraw/zinc/86/70/45/863867045.db2.gz ALEVPQUCGXCECL-SFHVURJKSA-N 0 1 420.460 4.271 20 0 HIADMN O=C(Cc1csc2ccccc12)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438450933 863876188 /nfs/dbraw/zinc/87/61/88/863876188.db2.gz PVXFWKHNPSNRBA-SFHVURJKSA-N 0 1 416.428 4.487 20 0 HIADMN COc1ccc([C@H](C)CC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438458039 863881842 /nfs/dbraw/zinc/88/18/42/863881842.db2.gz HHBGAVQWPWYZMH-YJYMSZOUSA-N 0 1 418.419 4.232 20 0 HIADMN O=C(CCCc1ccc(F)c(F)c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438460930 863882909 /nfs/dbraw/zinc/88/29/09/863882909.db2.gz NDBKZDZSODRDNY-GOSISDBHSA-N 0 1 424.373 4.330 20 0 HIADMN CC(C)c1cccc(OCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000438461135 863884103 /nfs/dbraw/zinc/88/41/03/863884103.db2.gz YQTCUFDHMSQESY-IBGZPJMESA-N 0 1 418.419 4.232 20 0 HIADMN Cc1ccc(SCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(C)c1 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HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000438533415 863959461 /nfs/dbraw/zinc/95/94/61/863959461.db2.gz YVDHQEOESLVFRH-UHFFFAOYSA-N 0 1 417.579 4.235 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3c(F)cc(F)cc3F)cc2)C[C@@H](C)O1 ZINC000438543466 863969192 /nfs/dbraw/zinc/96/91/92/863969192.db2.gz GFKRSZGTWQYLAS-ZIAGYGMSSA-N 0 1 407.436 4.035 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000438542126 863969586 /nfs/dbraw/zinc/96/95/86/863969586.db2.gz SNZAJXRGCHNONU-AVRWGWEMSA-N 0 1 405.542 4.342 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000438650367 864090739 /nfs/dbraw/zinc/09/07/39/864090739.db2.gz QZOTYHJGNSPWQT-IBGZPJMESA-N 0 1 410.562 4.337 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)C1CCC(CC)CC1 ZINC000438658728 864103578 /nfs/dbraw/zinc/10/35/78/864103578.db2.gz AVTNMJUTNCWLRC-UHFFFAOYSA-N 0 1 402.583 4.270 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccccc1Cl ZINC000438666373 864121339 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CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)cc1 ZINC000438765358 864261475 /nfs/dbraw/zinc/26/14/75/864261475.db2.gz NVJTYZIDLWNWMB-UHFFFAOYSA-N 0 1 419.396 4.406 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(COCc3ccccc3)cc2)cs1 ZINC000438767810 864262369 /nfs/dbraw/zinc/26/23/69/864262369.db2.gz AUFVZTVLULDILW-UHFFFAOYSA-N 0 1 417.508 4.052 20 0 HIADMN O=S(=O)(Nc1ccccc1OCC1CC1)c1ccc(F)c(Br)c1 ZINC000438769270 864264897 /nfs/dbraw/zinc/26/48/97/864264897.db2.gz WPPZXEFYNRPORW-UHFFFAOYSA-N 0 1 400.269 4.178 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2C)cs1 ZINC000438772014 864268076 /nfs/dbraw/zinc/26/80/76/864268076.db2.gz JFMPCVXLYOGSRJ-UHFFFAOYSA-N 0 1 417.508 4.223 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cs1 ZINC000438778202 864272753 /nfs/dbraw/zinc/27/27/53/864272753.db2.gz ZAGMIXILQKDICV-UHFFFAOYSA-N 0 1 424.887 4.176 20 0 HIADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438807252 864297167 /nfs/dbraw/zinc/29/71/67/864297167.db2.gz 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CC[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)Oc1ccccc1C ZINC000438865289 864359580 /nfs/dbraw/zinc/35/95/80/864359580.db2.gz METFEBPAJJALSG-SIKLNZKXSA-N 0 1 410.562 4.072 20 0 HIADMN COc1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)N2CCCCC2)cc1 ZINC000438879235 864367816 /nfs/dbraw/zinc/36/78/16/864367816.db2.gz ZVYDRGZQPLROGO-RMTZWNOUSA-N 0 1 404.554 4.243 20 0 HIADMN COc1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)N2CCCCC2)cc1 ZINC000438879233 864368359 /nfs/dbraw/zinc/36/83/59/864368359.db2.gz ZVYDRGZQPLROGO-GNKBHMEESA-N 0 1 404.554 4.243 20 0 HIADMN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cccc(CN2CCSCC2)c1 ZINC000438910714 864390589 /nfs/dbraw/zinc/39/05/89/864390589.db2.gz HYTVUONAZJEXIX-UHFFFAOYSA-N 0 1 410.461 4.315 20 0 HIADMN CCCN1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000438937111 864413665 /nfs/dbraw/zinc/41/36/65/864413665.db2.gz OGDUPANGMBMNSE-SFHVURJKSA-N 0 1 405.951 4.144 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000438956561 864427196 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HIADMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1oc2ccccc2c1COc1ccccc1 ZINC000439024628 864479783 /nfs/dbraw/zinc/47/97/83/864479783.db2.gz YLAJESIDAQMNOT-UHFFFAOYSA-N 0 1 411.421 4.444 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1-c1ncc2n1CCCC2)c1cccs1 ZINC000439036390 864493565 /nfs/dbraw/zinc/49/35/65/864493565.db2.gz BMVDJFUMZWJFEX-IBGZPJMESA-N 0 1 409.559 4.372 20 0 HIADMN CC(=O)Nc1ccc(O)c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 ZINC000439050062 864501930 /nfs/dbraw/zinc/50/19/30/864501930.db2.gz KZMGXMXCSBXDEH-UHFFFAOYSA-N 0 1 404.401 4.285 20 0 HIADMN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000439112752 864550368 /nfs/dbraw/zinc/55/03/68/864550368.db2.gz YYEDCJSLXVEVLJ-UONOGXRCSA-N 0 1 417.332 4.024 20 0 HIADMN Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000439112752 864550375 /nfs/dbraw/zinc/55/03/75/864550375.db2.gz YYEDCJSLXVEVLJ-UONOGXRCSA-N 0 1 417.332 4.024 20 0 HIADMN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000439121332 864557009 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400.954 4.492 20 0 HIADMN Cc1ccc(-n2ncc(C(=O)Nc3ccc(-c4nnc[nH]4)cc3F)c2C(C)C)cc1 ZINC000439247903 864665415 /nfs/dbraw/zinc/66/54/15/864665415.db2.gz HCFPXPNSWNVZDB-UHFFFAOYSA-N 0 1 404.449 4.481 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N(CCC(F)(F)F)CC1CC1)N1CCCC1 ZINC000439257743 864674808 /nfs/dbraw/zinc/67/48/08/864674808.db2.gz JEGADNSGVURZSN-SFHVURJKSA-N 0 1 413.484 4.206 20 0 HIADMN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)c(Br)c1 ZINC000439272772 864690155 /nfs/dbraw/zinc/69/01/55/864690155.db2.gz IPZDKFXIYFCVOI-NSHDSACASA-N 0 1 419.254 4.088 20 0 HIADMN O=C(CN1CCC([C@H]2CCCO2)CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000439280429 864701170 /nfs/dbraw/zinc/70/11/70/864701170.db2.gz ZQZSPOBTEZHIQM-VWNXMTODSA-N 0 1 412.961 4.437 20 0 HIADMN CC[C@](C)(O)CN(CC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000439284664 864702950 /nfs/dbraw/zinc/70/29/50/864702950.db2.gz ZOSDPNFKMANZOK-FQEVSTJZSA-N 0 1 405.336 4.051 20 0 HIADMN CN(C(=O)CN1CCC([C@@H]2CCCO2)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000439295424 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20 0 HIADMN Cc1cc(-c2cc(C(=O)Nc3cccc(-c4cn[nH]n4)c3)c3c(C)noc3n2)c(C)o1 ZINC000443670110 868276887 /nfs/dbraw/zinc/27/68/87/868276887.db2.gz CFKILWUIHKFVNH-UHFFFAOYSA-N 0 1 414.425 4.445 20 0 HIADMN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000443679006 868286410 /nfs/dbraw/zinc/28/64/10/868286410.db2.gz YFRXMCGZQDNGEY-GFCCVEGCSA-N 0 1 413.275 4.082 20 0 HIADMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000443680447 868286485 /nfs/dbraw/zinc/28/64/85/868286485.db2.gz KHMLOOSETSCVHL-UHFFFAOYSA-N 0 1 416.338 4.068 20 0 HIADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443702167 868296708 /nfs/dbraw/zinc/29/67/08/868296708.db2.gz APYRSFGVJNNWBM-UHFFFAOYSA-N 0 1 412.905 4.100 20 0 HIADMN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC[C@@H]3C[C@@H](C)O)nc21 ZINC000443882212 868415646 /nfs/dbraw/zinc/41/56/46/868415646.db2.gz WSASXEBUWOEGFD-UYAOXDASSA-N 0 1 423.582 4.373 20 0 HIADMN CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(F)(F)F ZINC000443934570 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CN(C)c1cccc([C@@H]2CCCN2Cc2csc(-c3ccc(C(N)=O)cc3)n2)c1 ZINC000444250336 868697031 /nfs/dbraw/zinc/69/70/31/868697031.db2.gz KEYPOZMFQQJQOQ-NRFANRHFSA-N 0 1 406.555 4.312 20 0 HIADMN CN(C)c1cccc([C@@H]2CCCN2CC(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000444252733 868699840 /nfs/dbraw/zinc/69/98/40/868699840.db2.gz SJIRSJXXAHUZAI-VWLOTQADSA-N 0 1 421.585 4.097 20 0 HIADMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NCCc1nc2ccccc2s1 ZINC000444255237 868700709 /nfs/dbraw/zinc/70/07/09/868700709.db2.gz YRQAYIKTUAZYNX-OAHLLOKOSA-N 0 1 401.963 4.171 20 0 HIADMN CCCN(CC(=O)c1cc(C)n(CC(F)(F)F)c1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000444256795 868702111 /nfs/dbraw/zinc/70/21/11/868702111.db2.gz NYIJHUXABCJGOR-KFKAGJAMSA-N 0 1 400.485 4.375 20 0 HIADMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](CCCO)c2ccccc2)C1 ZINC000444299984 868730130 /nfs/dbraw/zinc/73/01/30/868730130.db2.gz FAZAGEQVMHTAQI-QHCPKHFHSA-N 0 1 419.569 4.038 20 0 HIADMN Cc1nccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000444341706 868769825 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O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000467261911 880999395 /nfs/dbraw/zinc/99/93/95/880999395.db2.gz ZXISKUWRIPRAAB-ACJLOTCBSA-N 0 1 421.328 4.156 20 0 HIADMN O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1CCCc2[nH]ncc21 ZINC000467263527 881001508 /nfs/dbraw/zinc/00/15/08/881001508.db2.gz XSRJAXOMCGPMJT-OAHLLOKOSA-N 0 1 413.275 4.418 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)NCc3c(C)oc4ccccc43)CC2)cc1 ZINC000467265080 881002378 /nfs/dbraw/zinc/00/23/78/881002378.db2.gz FCZKGJLIZKLPAT-UHFFFAOYSA-N 0 1 407.514 4.167 20 0 HIADMN COC[C@@H]1CCCCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1 ZINC000467269255 881008249 /nfs/dbraw/zinc/00/82/49/881008249.db2.gz RIJVZBOQVKXHBP-KNQAVFIVSA-N 0 1 409.530 4.014 20 0 HIADMN COCC[C@@H]1CCCCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000467273156 881014405 /nfs/dbraw/zinc/01/44/05/881014405.db2.gz MQAZRXGBLRUJNJ-HKUYNNGSSA-N 0 1 415.559 4.157 20 0 HIADMN FC(F)(F)c1nnc(N2CCCN(CCCc3ccccc3Cl)CC2)s1 ZINC000467279357 881024941 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HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3cccc(F)c3C)CC2)c1C ZINC000467360681 881125699 /nfs/dbraw/zinc/12/56/99/881125699.db2.gz ZDXXIPIYJYKJRO-UHFFFAOYSA-N 0 1 414.525 4.283 20 0 HIADMN Cc1cc(C(F)(F)F)ccc1CNC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000467366765 881137884 /nfs/dbraw/zinc/13/78/84/881137884.db2.gz APUWYKUNBBNWKP-UHFFFAOYSA-N 0 1 415.452 4.155 20 0 HIADMN COc1ccc2c(c1)[C@@H](NCC(=O)Nc1ccc(Br)cc1)CCS2 ZINC000467401151 881184936 /nfs/dbraw/zinc/18/49/36/881184936.db2.gz BHRMJEVAKACMFX-INIZCTEOSA-N 0 1 407.333 4.223 20 0 HIADMN CCOC(=O)c1cnc(C)c(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000503572377 912652711 /nfs/dbraw/zinc/65/27/11/912652711.db2.gz OHWOJOARXOZPFN-GOSISDBHSA-N 0 1 412.877 4.074 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000467410228 881197211 /nfs/dbraw/zinc/19/72/11/881197211.db2.gz FMOATRKLQDUTTJ-BZNIZROVSA-N 0 1 415.292 4.181 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccccc1CC(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000467418209 881207002 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20 0 HIADMN CCCN1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1 ZINC000503580560 912664550 /nfs/dbraw/zinc/66/45/50/912664550.db2.gz BQWCHAOFOWQLAB-FQEVSTJZSA-N 0 1 417.912 4.222 20 0 HIADMN O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1nc2ccc(F)cc2[nH]1 ZINC000467497125 881314447 /nfs/dbraw/zinc/31/44/47/881314447.db2.gz UZOFUQIEEBXZMS-UHFFFAOYSA-N 0 1 400.866 4.338 20 0 HIADMN O=C(NCc1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1)Nc1ccccc1Cl ZINC000467515838 881330348 /nfs/dbraw/zinc/33/03/48/881330348.db2.gz BBHIRTZZXUSATG-MRXNPFEDSA-N 0 1 423.904 4.443 20 0 HIADMN CC(C)(C)OC(=O)c1ccc(CNCc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000467517977 881333518 /nfs/dbraw/zinc/33/35/18/881333518.db2.gz BHGISPHJWSEJFH-UHFFFAOYSA-N 0 1 416.949 4.422 20 0 HIADMN Cc1ccc(CS(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1F ZINC000469049996 883122354 /nfs/dbraw/zinc/12/23/54/883122354.db2.gz VXQVKLIPZFBVQK-SFHVURJKSA-N 0 1 420.554 4.009 20 0 HIADMN Cc1ccc(CS(=O)(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1F ZINC000469049768 883122867 /nfs/dbraw/zinc/12/28/67/883122867.db2.gz VXQVKLIPZFBVQK-GOSISDBHSA-N 0 1 420.554 4.009 20 0 HIADMN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc4c3OCC[C@@H]4N(C)C)cc2)n1 ZINC000469060771 883135737 /nfs/dbraw/zinc/13/57/37/883135737.db2.gz SAJFLOJSOOWTEH-QFIPXVFZSA-N 0 1 404.514 4.186 20 0 HIADMN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)N(CC)CC)c1C ZINC000469077054 883164057 /nfs/dbraw/zinc/16/40/57/883164057.db2.gz VWHOIRNKXKVULU-NRFANRHFSA-N 0 1 417.575 4.168 20 0 HIADMN Cc1cccc(N2CCN(CCC(=O)Nc3scnc3-c3ccccc3)CC2)c1 ZINC000469091041 883178953 /nfs/dbraw/zinc/17/89/53/883178953.db2.gz XWNVOMAXVUSGMI-UHFFFAOYSA-N 0 1 406.555 4.269 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000469106100 883197106 /nfs/dbraw/zinc/19/71/06/883197106.db2.gz VBYMFZZKJCCVHD-GOSISDBHSA-N 0 1 421.467 4.125 20 0 HIADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1c(F)cccc1Oc1ccccc1 ZINC000469114936 883208049 /nfs/dbraw/zinc/20/80/49/883208049.db2.gz RUFSHLCBSJHFPJ-UHFFFAOYSA-N 0 1 420.488 4.164 20 0 HIADMN Cc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000469134646 883230453 /nfs/dbraw/zinc/23/04/53/883230453.db2.gz YNCGMTOJWTUVLM-QGZVFWFLSA-N 0 1 401.601 4.367 20 0 HIADMN Cc1c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cnn1C(C)C ZINC000469134963 883231354 /nfs/dbraw/zinc/23/13/54/883231354.db2.gz YUBYUIAFYULHGL-QZTJIDSGSA-N 0 1 418.607 4.044 20 0 HIADMN CC(=O)CCc1ccc(OCCC(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000469141712 883238749 /nfs/dbraw/zinc/23/87/49/883238749.db2.gz UQTPKNCQIVSKSV-JOCHJYFZSA-N 0 1 410.514 4.001 20 0 HIADMN Cc1ccccc1-n1nc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c2c1CCC2 ZINC000469226103 883327132 /nfs/dbraw/zinc/32/71/32/883327132.db2.gz OXYJZJMEHVVPGK-NRFANRHFSA-N 0 1 416.525 4.307 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)C3(c4ccc(Cl)cc4)CCOCC3)cccc21 ZINC000469257475 883355938 /nfs/dbraw/zinc/35/59/38/883355938.db2.gz UKIOPEGJIGANRV-HXUWFJFHSA-N 0 1 414.933 4.412 20 0 HIADMN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000469260269 883357240 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CCc1[nH]nc(C(=O)N2CCC(=Cc3cccc(OC)c3)CC2)c1Br ZINC000469312239 883413417 /nfs/dbraw/zinc/41/34/17/883413417.db2.gz YCHQUARRAYNFNN-UHFFFAOYSA-N 0 1 404.308 4.063 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)cccc21 ZINC000469324907 883431144 /nfs/dbraw/zinc/43/11/44/883431144.db2.gz XKXOZSXWCIEXDS-OAQYLSRUSA-N 0 1 402.498 4.387 20 0 HIADMN Cc1sc([C@H](C)NC(=O)CCCCc2cn[nH]n2)nc1-c1ccc(Cl)cc1 ZINC000469330112 883438798 /nfs/dbraw/zinc/43/87/98/883438798.db2.gz MLOKSDRHFZJXMA-LBPRGKRZSA-N 0 1 403.939 4.480 20 0 HIADMN CO[C@H](CCNC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)C(F)(F)F ZINC000469342073 883456957 /nfs/dbraw/zinc/45/69/57/883456957.db2.gz USGVHMDRVBRVPE-UONOGXRCSA-N 0 1 404.820 4.030 20 0 HIADMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000469347367 883465535 /nfs/dbraw/zinc/46/55/35/883465535.db2.gz YKGBFBZKFDNIEC-OXQOHEQNSA-N 0 1 415.509 4.405 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)CCc3ncc(-c4ccccc4F)o3)cccc21 ZINC000469358806 883480801 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403.486 4.294 20 0 HIADMN Cc1cc2c(cc1C)[C@H](C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)CO2 ZINC000472388987 887235425 /nfs/dbraw/zinc/23/54/25/887235425.db2.gz PWXQCJWRIJGOMR-RADWXHQJSA-N 0 1 416.924 4.381 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)Cc2csc3ccc(Br)cc23)n[nH]1 ZINC000472439446 887288189 /nfs/dbraw/zinc/28/81/89/887288189.db2.gz MGPACFUWMUNYGC-SNVBAGLBSA-N 0 1 407.337 4.325 20 0 HIADMN O=C(NCc1ccc2ncccc2c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000472527905 887397580 /nfs/dbraw/zinc/39/75/80/887397580.db2.gz NGBQLIJAUQREGA-FQEVSTJZSA-N 0 1 418.545 4.490 20 0 HIADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000472545479 887424010 /nfs/dbraw/zinc/42/40/10/887424010.db2.gz ZAPHXRFYRJKHGY-JSGCOSHPSA-N 0 1 405.376 4.341 20 0 HIADMN O=S(=O)(NCCCC(F)(F)F)c1cc(Br)c(Cl)cc1Cl ZINC000472572035 887458200 /nfs/dbraw/zinc/45/82/00/887458200.db2.gz VBQDEAPUJXTIHX-UHFFFAOYSA-N 0 1 415.058 4.377 20 0 HIADMN CC(=O)CC(C)(C)CC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000472798580 887644745 /nfs/dbraw/zinc/64/47/45/887644745.db2.gz ZJOLKTVXCCAXIJ-UHFFFAOYSA-N 0 1 421.585 4.020 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H]1CCOc3c(Br)cccc31)C2 ZINC000504322932 913166723 /nfs/dbraw/zinc/16/67/23/913166723.db2.gz CMSFOLPXCOTAHB-DOMZBBRYSA-N 0 1 418.335 4.041 20 0 HIADMN c1csc([C@@H]2CN(CCCCCN3CCO[C@H](c4cccs4)C3)CCO2)c1 ZINC000472826052 887672485 /nfs/dbraw/zinc/67/24/85/887672485.db2.gz GCYOHLSJTDEIFB-OALUTQOASA-N 0 1 406.617 4.427 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1)c1ccsc1 ZINC000472828729 887676186 /nfs/dbraw/zinc/67/61/86/887676186.db2.gz AQPXTDMVHMIGSH-KRWDZBQOSA-N 0 1 415.494 4.239 20 0 HIADMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000472834107 887683726 /nfs/dbraw/zinc/68/37/26/887683726.db2.gz FLKJLJCQTSHMAA-MRXNPFEDSA-N 0 1 418.994 4.249 20 0 HIADMN COc1ccc(-c2n[nH]c(SCc3cnc4c(cnn4C(C)C)c3)n2)c(OC)c1 ZINC000504330160 913173003 /nfs/dbraw/zinc/17/30/03/913173003.db2.gz RXWWHABPHGABBB-UHFFFAOYSA-N 0 1 410.503 4.107 20 0 HIADMN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000504350297 913184870 /nfs/dbraw/zinc/18/48/70/913184870.db2.gz QLABATRNDZOLEI-AWEZNQCLSA-N 0 1 411.443 4.337 20 0 HIADMN CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)C1CC1 ZINC000473033300 887854223 /nfs/dbraw/zinc/85/42/23/887854223.db2.gz BRNFYMFEYYBBGB-OKZBNKHCSA-N 0 1 404.574 4.247 20 0 HIADMN COc1ccc(F)c(C(=O)Nc2cc(Br)cc(Cl)c2O)c1OC ZINC000473049415 887872222 /nfs/dbraw/zinc/87/22/22/887872222.db2.gz ROHUPOGKGNLMPS-UHFFFAOYSA-N 0 1 404.619 4.217 20 0 HIADMN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000473071378 887890323 /nfs/dbraw/zinc/89/03/23/887890323.db2.gz RTGHTVCNJZLCOC-KPFFTGBYSA-N 0 1 419.525 4.398 20 0 HIADMN CCSc1cccc(CN2CCCN(C(=O)CCc3ccc(OC)cc3)CC2)c1 ZINC000473131117 887921431 /nfs/dbraw/zinc/92/14/31/887921431.db2.gz GFPAIOOKXSSBLB-UHFFFAOYSA-N 0 1 412.599 4.474 20 0 HIADMN O=C(Cc1ccc(Br)c(F)c1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000504369597 913199563 /nfs/dbraw/zinc/19/95/63/913199563.db2.gz FMIOAUDWIQPWRU-UHFFFAOYSA-N 0 1 409.646 4.208 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)C[C@@H](c3cccs3)n3cccc3)CC2)cc1 ZINC000473350970 888078323 /nfs/dbraw/zinc/07/83/23/888078323.db2.gz OXBBLYAXBYFFLH-QFIPXVFZSA-N 0 1 423.582 4.272 20 0 HIADMN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473380754 888096543 /nfs/dbraw/zinc/09/65/43/888096543.db2.gz WFBBELXFPCLAQB-GOSISDBHSA-N 0 1 423.929 4.224 20 0 HIADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000473388963 888103001 /nfs/dbraw/zinc/10/30/01/888103001.db2.gz YPHOHCGEJSNFGI-RVKKMQEKSA-N 0 1 401.297 4.315 20 0 HIADMN CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473397763 888112957 /nfs/dbraw/zinc/11/29/57/888112957.db2.gz BUVZBWRZKZPFNH-UHFFFAOYSA-N 0 1 415.277 4.212 20 0 HIADMN CN(C)[C@@H](CNC(=O)C1(c2ccccc2Br)CC1)c1cccc(F)c1 ZINC000473397721 888113203 /nfs/dbraw/zinc/11/32/03/888113203.db2.gz BCMGRGUIFARBDV-SFHVURJKSA-N 0 1 405.311 4.039 20 0 HIADMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000473430014 888149680 /nfs/dbraw/zinc/14/96/80/888149680.db2.gz AMVNQVWADIBFGJ-DLBZAZTESA-N 0 1 418.940 4.114 20 0 HIADMN CC(C)(C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000473436267 888156524 /nfs/dbraw/zinc/15/65/24/888156524.db2.gz VFQSKYYCFFGZLE-UHFFFAOYSA-N 0 1 421.463 4.039 20 0 HIADMN CCC[C@@H](NC(=O)[C@H](C)N1CCC(O)(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000473437731 888158683 /nfs/dbraw/zinc/15/86/83/888158683.db2.gz TVIQGSMJODIEES-WMZHIEFXSA-N 0 1 412.549 4.241 20 0 HIADMN CC1CC(NC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC000473465407 888189960 /nfs/dbraw/zinc/18/99/60/888189960.db2.gz RDXYCBZHOFISAQ-UHFFFAOYSA-N 0 1 413.326 4.323 20 0 HIADMN Cn1cc(Nc2cccc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)c2)cn1 ZINC000473468571 888191840 /nfs/dbraw/zinc/19/18/40/888191840.db2.gz FDNDJHCAZANTJU-UHFFFAOYSA-N 0 1 415.277 4.410 20 0 HIADMN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3sc(CC)nc3C)cc2c1C ZINC000473473423 888196714 /nfs/dbraw/zinc/19/67/14/888196714.db2.gz UIZIEZLTQJTBMN-UHFFFAOYSA-N 0 1 408.501 4.046 20 0 HIADMN CCc1noc([C@H](C)Sc2nc(-c3ccc(OC)c(Br)c3)n[nH]2)n1 ZINC000473513066 888242785 /nfs/dbraw/zinc/24/27/85/888242785.db2.gz MVHSIGHFQQYCEU-QMMMGPOBSA-N 0 1 410.297 4.042 20 0 HIADMN C[C@H](N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)NCc1ccc(F)cc1 ZINC000504406769 913226157 /nfs/dbraw/zinc/22/61/57/913226157.db2.gz ANMIYINRZBJZMM-KSFYIVLOSA-N 0 1 411.908 4.452 20 0 HIADMN COc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)[nH]c3C)n2)cc1Br ZINC000473530971 888268829 /nfs/dbraw/zinc/26/88/29/888268829.db2.gz YGWHQLVZTQLVJJ-UHFFFAOYSA-N 0 1 421.320 4.163 20 0 HIADMN CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000504416394 913231771 /nfs/dbraw/zinc/23/17/71/913231771.db2.gz PCNGOTXJKZKWPN-JXFKEZNVSA-N 0 1 411.937 4.413 20 0 HIADMN Cc1ccc2nc(C3CC3)cc(C(=O)NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC000473658850 888410606 /nfs/dbraw/zinc/41/06/06/888410606.db2.gz NGTAJPKFGNDXMI-UHFFFAOYSA-N 0 1 400.526 4.210 20 0 HIADMN COCCC1(CNC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)CCCC1 ZINC000473682085 888449373 /nfs/dbraw/zinc/44/93/73/888449373.db2.gz ZKBMBZNWCFWCJH-QFIPXVFZSA-N 0 1 417.594 4.118 20 0 HIADMN Cc1nc(CNC(=O)NC[C@H](c2ccsc2)N(C)C)oc1-c1ccc(Cl)cc1 ZINC000473682083 888449574 /nfs/dbraw/zinc/44/95/74/888449574.db2.gz ZIWZNWNZVYACNS-QGZVFWFLSA-N 0 1 418.950 4.467 20 0 HIADMN Cc1c(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cccc1-c1nnc2n1CCCCC2 ZINC000473725744 888502625 /nfs/dbraw/zinc/50/26/25/888502625.db2.gz SQSXUAPPNLYMPV-UHFFFAOYSA-N 0 1 413.485 4.017 20 0 HIADMN CCC(C)(C)OCc1ccccc1NC(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000473773719 888573612 /nfs/dbraw/zinc/57/36/12/888573612.db2.gz CWMICNTUFCWDAR-UHFFFAOYSA-N 0 1 423.517 4.411 20 0 HIADMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000473859781 888711538 /nfs/dbraw/zinc/71/15/38/888711538.db2.gz VXNVNWFOJRZGKW-CQSZACIVSA-N 0 1 405.380 4.231 20 0 HIADMN Cc1cc(Br)c(F)cc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000473860773 888713636 /nfs/dbraw/zinc/71/36/36/888713636.db2.gz HULOGBNKGIJWSY-CQSZACIVSA-N 0 1 400.317 4.383 20 0 HIADMN COc1cccc(C=C2CCN(C(=O)NC[C@H](c3cccc(OC)c3)N(C)C)CC2)c1 ZINC000473877665 888740664 /nfs/dbraw/zinc/74/06/64/888740664.db2.gz RKYDNNYQKMYHHZ-XMMPIXPASA-N 0 1 423.557 4.196 20 0 HIADMN CCc1ccc([C@H](NC(=O)NCc2n[nH]c(COc3ccccc3)n2)C(C)C)cc1 ZINC000473892714 888764217 /nfs/dbraw/zinc/76/42/17/888764217.db2.gz YHTAUZYKNPCATA-JOCHJYFZSA-N 0 1 407.518 4.143 20 0 HIADMN C[C@@H](NC(=O)NCc1n[nH]c(COc2ccccc2)n1)c1cccc2ccccc21 ZINC000473899106 888774865 /nfs/dbraw/zinc/77/48/65/888774865.db2.gz VSBSSMWRNAYRDC-MRXNPFEDSA-N 0 1 401.470 4.097 20 0 HIADMN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)c1 ZINC000473949610 888824092 /nfs/dbraw/zinc/82/40/92/888824092.db2.gz WJLRBGGTZLAYKW-UHFFFAOYSA-N 0 1 412.453 4.046 20 0 HIADMN CCN(CC)c1ncc(CN[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000473987969 888849159 /nfs/dbraw/zinc/84/91/59/888849159.db2.gz QJWITZNRWKCTPZ-OAHLLOKOSA-N 0 1 413.374 4.191 20 0 HIADMN Cc1cccc2c1OCC[C@H]2NCc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000474008056 888866368 /nfs/dbraw/zinc/86/63/68/888866368.db2.gz JHPBADBEDMBUCQ-HXUWFJFHSA-N 0 1 405.498 4.170 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)NC(C)(C)c3cccc(Cl)c3F)n2)cc1 ZINC000474063498 888896838 /nfs/dbraw/zinc/89/68/38/888896838.db2.gz WMFCGOGSAIEVPT-UHFFFAOYSA-N 0 1 417.872 4.007 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)NC(C)(C)c3cccc(Cl)c3F)n[nH]2)cc1 ZINC000474063498 888896839 /nfs/dbraw/zinc/89/68/39/888896839.db2.gz WMFCGOGSAIEVPT-UHFFFAOYSA-N 0 1 417.872 4.007 20 0 HIADMN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2n[nH]c(COc3ccccc3)n2)o1 ZINC000474086573 888911926 /nfs/dbraw/zinc/91/19/26/888911926.db2.gz AVLVAJIYCCYKJP-LPHOPBHVSA-N 0 1 423.517 4.222 20 0 HIADMN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1n[nH]c(COc2ccccc2)n1 ZINC000474085827 888912605 /nfs/dbraw/zinc/91/26/05/888912605.db2.gz YZQXQWUABDQODE-RTWAWAEBSA-N 0 1 419.529 4.252 20 0 HIADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000474091094 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C[C@@H](NCC(=O)NCc1cccc(OCC(F)(F)F)c1)c1cc2cccc(F)c2o1 ZINC000475701449 890640418 /nfs/dbraw/zinc/64/04/18/890640418.db2.gz LVOGHGCITWDQDG-CYBMUJFWSA-N 0 1 424.394 4.480 20 0 HIADMN C[C@@H](N[C@@H](C)c1cc2cccc(F)c2o1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000475704604 890641840 /nfs/dbraw/zinc/64/18/40/890641840.db2.gz HTIBYNQAXPHMBN-LSDHHAIUSA-N 0 1 409.461 4.377 20 0 HIADMN C[C@@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cc2cccc(F)c2o1 ZINC000475718447 890656800 /nfs/dbraw/zinc/65/68/00/890656800.db2.gz YUFVDWAGYYJKAS-MRXNPFEDSA-N 0 1 423.488 4.100 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2cc3cccc(F)c3o2)c1 ZINC000475720113 890658249 /nfs/dbraw/zinc/65/82/49/890658249.db2.gz WVDZMVCBYUYXBO-OAHLLOKOSA-N 0 1 411.477 4.343 20 0 HIADMN CN(C(=O)CN[C@@H](Cc1ccccn1)c1ccc(Br)cc1)c1ccccc1 ZINC000475740240 890682596 /nfs/dbraw/zinc/68/25/96/890682596.db2.gz YXPJMPRRJJTYFF-NRFANRHFSA-N 0 1 424.342 4.381 20 0 HIADMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000475742478 890684473 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CCCN(CCC)C(=O)c1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000481933004 897317437 /nfs/dbraw/zinc/31/74/37/897317437.db2.gz SECRROIVIYAOCY-OAQYLSRUSA-N 0 1 411.546 4.109 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CCN2C2CC2)c1 ZINC000481993893 897389897 /nfs/dbraw/zinc/38/98/97/897389897.db2.gz YQFYOHYFMIQPRK-WOUAJJJCSA-N 0 1 410.480 4.458 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)Cc3c[nH]c4cc(Cl)ccc34)CCN2C2CC2)c1 ZINC000482012878 897412566 /nfs/dbraw/zinc/41/25/66/897412566.db2.gz NUEBZUKGAGJMLK-URXFXBBRSA-N 0 1 423.944 4.467 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc4nc(C)ccc4c3)CCN2C2CC2)c1 ZINC000482013657 897413767 /nfs/dbraw/zinc/41/37/67/897413767.db2.gz OIUPTJPPLHMFTL-ZEQRLZLVSA-N 0 1 401.510 4.260 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)c3ccccc3NCc3ccco3)CC2)cc1 ZINC000482014477 897414449 /nfs/dbraw/zinc/41/44/49/897414449.db2.gz JKXGZYAKQDHARE-UHFFFAOYSA-N 0 1 419.525 4.248 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](C(F)(F)F)C(C)(C)C3)n2)cc1 ZINC000482019910 897424330 /nfs/dbraw/zinc/42/43/30/897424330.db2.gz XEIQEEQRXHFYTA-AWEZNQCLSA-N 0 1 412.481 4.309 20 0 HIADMN CC(=O)N1CCN(c2ccccc2CN[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000482022825 897428955 /nfs/dbraw/zinc/42/89/55/897428955.db2.gz UIJWUDZJZMFBDU-HXUWFJFHSA-N 0 1 415.990 4.335 20 0 HIADMN CCCC[C@@H](N[C@@H]1CCCc2c1cnn2C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000482031348 897441617 /nfs/dbraw/zinc/44/16/17/897441617.db2.gz JNLTZNKQILSQAH-FGZHOGPDSA-N 0 1 409.578 4.185 20 0 HIADMN CC(=O)N1CCN(c2ccccc2CN[C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000482032983 897444873 /nfs/dbraw/zinc/44/48/73/897444873.db2.gz QUJAPZHTBCNEDY-FQEVSTJZSA-N 0 1 415.990 4.335 20 0 HIADMN Cc1c([C@@H](C)NCCc2ccn(-c3ccccc3)n2)nnn1-c1cccc(Cl)c1 ZINC000482039210 897456073 /nfs/dbraw/zinc/45/60/73/897456073.db2.gz RDWDCUXPWUCZIJ-MRXNPFEDSA-N 0 1 406.921 4.308 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)CCn3ccc4ccccc43)CCN2C2CC2)c1 ZINC000482051302 897476585 /nfs/dbraw/zinc/47/65/85/897476585.db2.gz QSRFYFWWLJBKGH-DHLKQENFSA-N 0 1 403.526 4.134 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)N2CCCC2)cc1 ZINC000482068006 897502917 /nfs/dbraw/zinc/50/29/17/897502917.db2.gz KOZPLVFBPQCGNQ-HSZRJFAPSA-N 0 1 401.510 4.121 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)CCCOCc3ccccc3)CCN2C2CC2)c1 ZINC000482071333 897507707 /nfs/dbraw/zinc/50/77/07/897507707.db2.gz GPTCMGAGXZSDNL-NOZRDPDXSA-N 0 1 408.542 4.086 20 0 HIADMN CCOc1ccc(CCC(=O)N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)cc1 ZINC000482075492 897513013 /nfs/dbraw/zinc/51/30/13/897513013.db2.gz MKDSJIARNGIXCX-NOZRDPDXSA-N 0 1 408.542 4.121 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H](c4ccc(F)cc4)C[C@@H]3C)n2)cc1 ZINC000482086068 897526071 /nfs/dbraw/zinc/52/60/71/897526071.db2.gz BXNYWFQKHHGDLZ-MAUKXSAKSA-N 0 1 410.518 4.416 20 0 HIADMN O=C(CCc1ccc(Br)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000482086789 897528046 /nfs/dbraw/zinc/52/80/46/897528046.db2.gz FNJJNGSDWYIHPD-SFHVURJKSA-N 0 1 405.336 4.318 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)n2)cc1 ZINC000482097998 897544195 /nfs/dbraw/zinc/54/41/95/897544195.db2.gz SMYSZRNKGVGOTB-OAHLLOKOSA-N 0 1 419.510 4.405 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C)c3ccc(F)c(F)c3)CCN2C2CC2)c1 ZINC000482100532 897547820 /nfs/dbraw/zinc/54/78/20/897547820.db2.gz IPBKCBUMWJDBCU-JQOQJDEVSA-N 0 1 400.469 4.171 20 0 HIADMN C[C@@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1cc(F)c(Cl)cc1Cl ZINC000482104231 897552876 /nfs/dbraw/zinc/55/28/76/897552876.db2.gz FRGFSJIRFAWCJX-DGIBIBHMSA-N 0 1 410.276 4.038 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(NC[C@@H]4CCCO4)c(F)c3)[nH]n2)c1 ZINC000482105844 897555931 /nfs/dbraw/zinc/55/59/31/897555931.db2.gz RGUKIIQXVBDCTK-KRWDZBQOSA-N 0 1 410.449 4.068 20 0 HIADMN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)c(Br)c1 ZINC000482118763 897571590 /nfs/dbraw/zinc/57/15/90/897571590.db2.gz GXHLSUQTRGCGRM-QRWLVFNGSA-N 0 1 419.338 4.473 20 0 HIADMN C[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000482123987 897579555 /nfs/dbraw/zinc/57/95/55/897579555.db2.gz HHPYYCJZGJCEHT-LJQANCHMSA-N 0 1 411.509 4.430 20 0 HIADMN C[C@@H](NCc1ccc(Oc2ccccc2)nc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000482137204 897595031 /nfs/dbraw/zinc/59/50/31/897595031.db2.gz IMKMRWTUSYEQLF-GOSISDBHSA-N 0 1 423.538 4.265 20 0 HIADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)ccc1F ZINC000482138965 897596904 /nfs/dbraw/zinc/59/69/04/897596904.db2.gz TWZOSFSECXNTMO-YWZLYKJASA-N 0 1 419.338 4.473 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000482142232 897602049 /nfs/dbraw/zinc/60/20/49/897602049.db2.gz VWSYZBKODULJIN-IFXJQAMLSA-N 0 1 424.442 4.349 20 0 HIADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000482152644 897615821 /nfs/dbraw/zinc/61/58/21/897615821.db2.gz RUJPWGFTZIRDRH-JOCHJYFZSA-N 0 1 422.960 4.206 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1cccc(F)c1 ZINC000505492995 914177390 /nfs/dbraw/zinc/17/73/90/914177390.db2.gz ANYMFAWCWJKJPJ-KRWDZBQOSA-N 0 1 405.445 4.260 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3nccn3Cc3ccccc3Cl)[nH]n2)cc1 ZINC000482175240 897642892 /nfs/dbraw/zinc/64/28/92/897642892.db2.gz AOMOFFWYMJBOER-UHFFFAOYSA-N 0 1 407.861 4.236 20 0 HIADMN Cc1[nH]c(SCC(=O)N2Cc3ccccc3C3(CC3)C2)nc1Cc1ccccc1 ZINC000482176881 897644902 /nfs/dbraw/zinc/64/49/02/897644902.db2.gz MBEWKUHHGCWPQD-UHFFFAOYSA-N 0 1 403.551 4.475 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(CCc3ccc(F)cc3)C3CC3)n2)cc1 ZINC000482181684 897650785 /nfs/dbraw/zinc/65/07/85/897650785.db2.gz NIYABTXLJXDGRC-UHFFFAOYSA-N 0 1 410.518 4.245 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3cccc(C[S@@](=O)C(C)(C)C)c3)[nH]n2)c1 ZINC000482189687 897661233 /nfs/dbraw/zinc/66/12/33/897661233.db2.gz BIMDBRIHSNTLHN-GDLZYMKVSA-N 0 1 411.527 4.385 20 0 HIADMN COC(=O)c1ccccc1-c1ccc(CNCc2cccc(CN3CCCC3=O)c2)o1 ZINC000482194648 897669180 /nfs/dbraw/zinc/66/91/80/897669180.db2.gz UBWFHHVGEADJSD-UHFFFAOYSA-N 0 1 418.493 4.145 20 0 HIADMN COC(=O)c1ccccc1-c1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000482201820 897680314 /nfs/dbraw/zinc/68/03/14/897680314.db2.gz YNCDOFAVELOZPS-INIZCTEOSA-N 0 1 402.454 4.165 20 0 HIADMN COC(=O)c1ccccc1-c1ccc(CNCc2ccc(Cn3ccnc3)cc2)o1 ZINC000482210739 897689795 /nfs/dbraw/zinc/68/97/95/897689795.db2.gz NLLOWYOSASJUDB-UHFFFAOYSA-N 0 1 401.466 4.268 20 0 HIADMN COC(=O)c1ccc(-c2ccc(CNCc3ccccc3Cn3cccn3)o2)cc1 ZINC000482210617 897690210 /nfs/dbraw/zinc/69/02/10/897690210.db2.gz ITDHQHPWLRYFGP-UHFFFAOYSA-N 0 1 401.466 4.268 20 0 HIADMN Cc1ccc(C[C@H]2CCCN2C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000482214211 897694404 /nfs/dbraw/zinc/69/44/04/897694404.db2.gz UJSQKCPOALIOMH-HXUWFJFHSA-N 0 1 406.555 4.414 20 0 HIADMN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000505498051 914184448 /nfs/dbraw/zinc/18/44/48/914184448.db2.gz HKHRSTLVSRMHRJ-UHFFFAOYSA-N 0 1 410.437 4.276 20 0 HIADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)c1 ZINC000482232557 897713198 /nfs/dbraw/zinc/71/31/98/897713198.db2.gz AERUJYVAIHWKAN-CABCVRRESA-N 0 1 402.516 4.070 20 0 HIADMN COC(=O)c1ccc(Cl)c(CNCc2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000482248527 897729379 /nfs/dbraw/zinc/72/93/79/897729379.db2.gz VCQCEHHUAQDMEV-UHFFFAOYSA-N 0 1 409.873 4.064 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000505500182 914187387 /nfs/dbraw/zinc/18/73/87/914187387.db2.gz HNLAJQVJSCOJIV-GJZGRUSLSA-N 0 1 417.296 4.207 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@H]3c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 ZINC000505500182 914187402 /nfs/dbraw/zinc/18/74/02/914187402.db2.gz HNLAJQVJSCOJIV-GJZGRUSLSA-N 0 1 417.296 4.207 20 0 HIADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2csc(-c3csc(C)n3)c2)c1 ZINC000482276011 897765495 /nfs/dbraw/zinc/76/54/95/897765495.db2.gz YKPPUWMPXIRNFP-QWHCGFSZSA-N 0 1 421.613 4.500 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccc4[nH]c5c(c4c3)C[C@H](C)CC5)n2)cc1 ZINC000505501782 914189676 /nfs/dbraw/zinc/18/96/76/914189676.db2.gz SZJGJVFDBYXYOK-CQSZACIVSA-N 0 1 415.497 4.016 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)c3ccc4[nH]c5c(c4c3)C[C@H](C)CC5)n[nH]2)cc1 ZINC000505501782 914189694 /nfs/dbraw/zinc/18/96/94/914189694.db2.gz SZJGJVFDBYXYOK-CQSZACIVSA-N 0 1 415.497 4.016 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@H](c1ccc(OC)cc1)C(F)(F)F)c1ccco1 ZINC000482300827 897797081 /nfs/dbraw/zinc/79/70/81/897797081.db2.gz XLOVHGXXMRTKBA-SJLPKXTDSA-N 0 1 413.440 4.274 20 0 HIADMN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000482308290 897806187 /nfs/dbraw/zinc/80/61/87/897806187.db2.gz KCPDZRXTNKASAD-QGZVFWFLSA-N 0 1 423.344 4.142 20 0 HIADMN CN(C)Cc1ccnc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 ZINC000482328192 897831019 /nfs/dbraw/zinc/83/10/19/897831019.db2.gz DXSCWTTZOIHCDC-UHFFFAOYSA-N 0 1 414.303 4.076 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)n2)cc1 ZINC000482352924 897867712 /nfs/dbraw/zinc/86/77/12/897867712.db2.gz PJHPZUORWCAGTP-GJZGRUSLSA-N 0 1 412.481 4.357 20 0 HIADMN COc1ccc(C2(CNC(=O)N[C@H]3CCCc4cn[nH]c43)CCCCC2)cc1OC ZINC000482359873 897876751 /nfs/dbraw/zinc/87/67/51/897876751.db2.gz OPDPJRYBNJPTOS-SFHVURJKSA-N 0 1 412.534 4.006 20 0 HIADMN CN(C)Cc1ccnc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000482375830 897901206 /nfs/dbraw/zinc/90/12/06/897901206.db2.gz KLIHRASAFFIMOO-UHFFFAOYSA-N 0 1 423.900 4.045 20 0 HIADMN CN(Cc1ccc(Br)cc1Cl)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000482376734 897903010 /nfs/dbraw/zinc/90/30/10/897903010.db2.gz NZPIDPLOKUOPLY-UHFFFAOYSA-N 0 1 405.683 4.160 20 0 HIADMN CNC(=O)C[C@@H](NCc1ccc(Br)cc1C(F)(F)F)c1ccccc1 ZINC000482452980 898021021 /nfs/dbraw/zinc/02/10/21/898021021.db2.gz BNJMTZCPVIGCBX-MRXNPFEDSA-N 0 1 415.253 4.435 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H](C)c3ccc(F)cc3F)n2)cc1 ZINC000482461252 898034222 /nfs/dbraw/zinc/03/42/22/898034222.db2.gz ZVDSTMOROXOBCX-ZDUSSCGKSA-N 0 1 402.470 4.070 20 0 HIADMN CNC(=O)C[C@@H](NCc1cn(Cc2ccccc2)nc1C(C)(C)C)c1ccccc1 ZINC000482460906 898035137 /nfs/dbraw/zinc/03/51/37/898035137.db2.gz QQNDMYLMGAQUAS-JOCHJYFZSA-N 0 1 404.558 4.196 20 0 HIADMN O=C(Nc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)s1)Nc1ccccc1 ZINC000482477753 898055973 /nfs/dbraw/zinc/05/59/73/898055973.db2.gz IKXROIURUFUMMR-UHFFFAOYSA-N 0 1 423.473 4.380 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3OCC3CC3)[nH]n2)cc1OC ZINC000482483487 898062751 /nfs/dbraw/zinc/06/27/51/898062751.db2.gz SEYQLHOPDIZCDP-UHFFFAOYSA-N 0 1 411.433 4.274 20 0 HIADMN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000482489054 898068841 /nfs/dbraw/zinc/06/88/41/898068841.db2.gz JHEDPAOBIPHPGE-GDBMZVCRSA-N 0 1 400.500 4.099 20 0 HIADMN COc1cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)ccc1OCc1cccs1 ZINC000482521711 898108421 /nfs/dbraw/zinc/10/84/21/898108421.db2.gz AWEOJGOXBITMBQ-OAQYLSRUSA-N 0 1 406.511 4.333 20 0 HIADMN CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000482529057 898116463 /nfs/dbraw/zinc/11/64/63/898116463.db2.gz JHBNONVAQKHBOS-NRFANRHFSA-N 0 1 400.530 4.226 20 0 HIADMN Cc1cccn2cc(COc3ccc(CN[C@@H](c4nnc[nH]4)c4ccccc4)cc3)nc12 ZINC000482542602 898131606 /nfs/dbraw/zinc/13/16/06/898131606.db2.gz YSISLMWRDSMLKW-HSZRJFAPSA-N 0 1 424.508 4.219 20 0 HIADMN CCCCOc1ccc(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cn1 ZINC000482553641 898145401 /nfs/dbraw/zinc/14/54/01/898145401.db2.gz NXDDYNXZBNOEQN-GOSISDBHSA-N 0 1 406.490 4.415 20 0 HIADMN CCCCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cn1 ZINC000482553641 898145406 /nfs/dbraw/zinc/14/54/06/898145406.db2.gz NXDDYNXZBNOEQN-GOSISDBHSA-N 0 1 406.490 4.415 20 0 HIADMN C[C@H](c1nc(-c2ncccc2-n2cccn2)no1)N1CCC(Cc2ccccc2)CC1 ZINC000482578386 898175837 /nfs/dbraw/zinc/17/58/37/898175837.db2.gz NJMOIBQEOCEXIZ-GOSISDBHSA-N 0 1 414.513 4.333 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1nc2ccc(Cl)cc2n1C ZINC000482610083 898210957 /nfs/dbraw/zinc/21/09/57/898210957.db2.gz XDJQKJIXPNFDQR-UHFFFAOYSA-N 0 1 421.328 4.316 20 0 HIADMN COc1ccc(CNc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)cc1OC ZINC000482630612 898233945 /nfs/dbraw/zinc/23/39/45/898233945.db2.gz BVOKSWRJXVIOFT-MRXNPFEDSA-N 0 1 415.509 4.268 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(Cl)cc2OC)cc1 ZINC000482636763 898240199 /nfs/dbraw/zinc/24/01/99/898240199.db2.gz MNVQMGSWROCBLU-OAHLLOKOSA-N 0 1 410.967 4.230 20 0 HIADMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2cnn(C(C)(C)C)c2)c1 ZINC000482665406 898268000 /nfs/dbraw/zinc/26/80/00/898268000.db2.gz REYSDOUBARJEFZ-MRXNPFEDSA-N 0 1 401.530 4.202 20 0 HIADMN Cc1ccc(-c2ncc(CN[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(F)c(F)c3)s2)o1 ZINC000482707208 898306512 /nfs/dbraw/zinc/30/65/12/898306512.db2.gz QIEUPDJOMDVNJQ-VQIMIIECSA-N 0 1 403.454 4.051 20 0 HIADMN O=C(NCc1nc(C2CC2)cs1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000482739766 898343160 /nfs/dbraw/zinc/34/31/60/898343160.db2.gz FWPWCBFDZWLOGQ-UHFFFAOYSA-N 0 1 404.967 4.138 20 0 HIADMN COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1 ZINC000505546389 914245188 /nfs/dbraw/zinc/24/51/88/914245188.db2.gz FQRFLDDSLSCQFG-MRXNPFEDSA-N 0 1 424.932 4.258 20 0 HIADMN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000482783769 898392193 /nfs/dbraw/zinc/39/21/93/898392193.db2.gz CAAPLLCKABCLMD-LBPRGKRZSA-N 0 1 403.202 4.390 20 0 HIADMN COc1ccsc1CNc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000482793836 898402237 /nfs/dbraw/zinc/40/22/37/898402237.db2.gz WDBRSOSZPKJURV-UHFFFAOYSA-N 0 1 408.571 4.129 20 0 HIADMN COc1cc(Cl)ccc1CN(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000482821593 898429803 /nfs/dbraw/zinc/42/98/03/898429803.db2.gz DHYHPTKJMHHHGP-OAHLLOKOSA-N 0 1 408.951 4.082 20 0 HIADMN COc1ccc(CN(CC(=O)Nc2ccccc2N2CCCC2=O)[C@@H](C)C2CC2)cc1 ZINC000505553732 914255838 /nfs/dbraw/zinc/25/58/38/914255838.db2.gz PQRITSYTGKDKBT-SFHVURJKSA-N 0 1 421.541 4.061 20 0 HIADMN Cc1nc2ccccc2n1C1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000482892620 898512035 /nfs/dbraw/zinc/51/20/35/898512035.db2.gz BYQNGRRLPPBMBH-KRWDZBQOSA-N 0 1 408.521 4.340 20 0 HIADMN COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC(n3c(C)nc4ccccc43)CC2)c1 ZINC000482899360 898518799 /nfs/dbraw/zinc/51/87/99/898518799.db2.gz KKGZJJRNNXOBGO-INIZCTEOSA-N 0 1 422.529 4.026 20 0 HIADMN C[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(F)cc1N(C)C ZINC000482955834 898585055 /nfs/dbraw/zinc/58/50/55/898585055.db2.gz GHBPNWNTNRTIEO-QGZVFWFLSA-N 0 1 421.520 4.459 20 0 HIADMN COc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCC[C@](C)(OC)CC3)n2)cc1 ZINC000482972780 898607643 /nfs/dbraw/zinc/60/76/43/898607643.db2.gz CEIYVQWHHNSGGV-VFNWGFHPSA-N 0 1 403.548 4.037 20 0 HIADMN Cc1ccncc1CN(C)CCOc1c(Br)cccc1Br ZINC000482975158 898610650 /nfs/dbraw/zinc/61/06/50/898610650.db2.gz BENFYXXYYJFZMT-UHFFFAOYSA-N 0 1 414.141 4.426 20 0 HIADMN CO[C@]1(C)CCCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)CC1 ZINC000483010388 898663690 /nfs/dbraw/zinc/66/36/90/898663690.db2.gz WXRMWQCEIQBQQE-ZJSXRUAMSA-N 0 1 409.530 4.157 20 0 HIADMN CO[C@]1(C)CCCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)CC1 ZINC000483010387 898664559 /nfs/dbraw/zinc/66/45/59/898664559.db2.gz WXRMWQCEIQBQQE-XUZZJYLKSA-N 0 1 409.530 4.157 20 0 HIADMN O=C(Nc1cccc(COCCOc2ccccc2)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000483051701 898725324 /nfs/dbraw/zinc/72/53/24/898725324.db2.gz UMVMYUKMTIHNHI-NRFANRHFSA-N 0 1 406.486 4.204 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C4CCCCC4)nn3C)n2)cc1 ZINC000483090622 898778865 /nfs/dbraw/zinc/77/88/65/898778865.db2.gz QBYOUODMCRSUBD-UHFFFAOYSA-N 0 1 410.547 4.292 20 0 HIADMN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000483142687 898821927 /nfs/dbraw/zinc/82/19/27/898821927.db2.gz XTHAZNGWHSMEIV-LJQANCHMSA-N 0 1 416.481 4.289 20 0 HIADMN Cc1ccc(C[C@@H](N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c2ccccn2)cc1 ZINC000483151471 898826972 /nfs/dbraw/zinc/82/69/72/898826972.db2.gz XIIKUCDKHLIIQD-FDDCHVKYSA-N 0 1 409.555 4.396 20 0 HIADMN C[C@@H](N[C@H]1CSc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000483153778 898828272 /nfs/dbraw/zinc/82/82/72/898828272.db2.gz HMRBJYZXNNMLMT-UZLBHIALSA-N 0 1 402.585 4.359 20 0 HIADMN COc1cccc(N2CCC[C@H](N[C@H](C)c3nnn(-c4ccc(F)cc4)c3C)C2)c1 ZINC000483168910 898838159 /nfs/dbraw/zinc/83/81/59/898838159.db2.gz NVUOGOOWJPHKDR-APWZRJJASA-N 0 1 409.509 4.043 20 0 HIADMN O=C(N[C@H](c1cc(F)cc(Br)c1)C1CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000483191649 898848809 /nfs/dbraw/zinc/84/88/09/898848809.db2.gz FUOAVIHINSSUEA-CVEARBPZSA-N 0 1 407.287 4.139 20 0 HIADMN OC[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000483240928 898884094 /nfs/dbraw/zinc/88/40/94/898884094.db2.gz UUJABRNELFLQDI-CQSZACIVSA-N 0 1 415.118 4.455 20 0 HIADMN Cc1ccccc1NC(=O)CCN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483256387 898897170 /nfs/dbraw/zinc/89/71/70/898897170.db2.gz DLMNQCDSTNGTNS-QGZVFWFLSA-N 0 1 400.828 4.319 20 0 HIADMN CC[C@H](CN(CC)C(=O)NCc1n[nH]c(COc2ccccc2)n1)c1ccccc1 ZINC000483294179 898927909 /nfs/dbraw/zinc/92/79/09/898927909.db2.gz ICJLXNPOQZUFHF-GOSISDBHSA-N 0 1 407.518 4.109 20 0 HIADMN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000483304175 898935878 /nfs/dbraw/zinc/93/58/78/898935878.db2.gz PGBKZHXFFCPMDQ-DGCLKSJQSA-N 0 1 418.339 4.225 20 0 HIADMN CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000483316625 898943998 /nfs/dbraw/zinc/94/39/98/898943998.db2.gz QPMGBEXMZGIGAD-HXUWFJFHSA-N 0 1 424.593 4.158 20 0 HIADMN CC(C)N(C)c1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000483316625 898944004 /nfs/dbraw/zinc/94/40/04/898944004.db2.gz QPMGBEXMZGIGAD-HXUWFJFHSA-N 0 1 424.593 4.158 20 0 HIADMN FC(F)(F)c1ccc2oc(CN3CCC(c4nnc5ccccn54)CC3)nc2c1 ZINC000483390769 899024591 /nfs/dbraw/zinc/02/45/91/899024591.db2.gz RLSGCAGWCZSBQX-UHFFFAOYSA-N 0 1 401.392 4.269 20 0 HIADMN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000483407537 899037819 /nfs/dbraw/zinc/03/78/19/899037819.db2.gz NOSOREMNRMVSKI-OAQYLSRUSA-N 0 1 422.504 4.268 20 0 HIADMN COc1ccccc1-c1nc(C2CCN(Cc3ccc(N4CCCC4)nc3)CC2)no1 ZINC000483432153 899062960 /nfs/dbraw/zinc/06/29/60/899062960.db2.gz NXSITCFDIPTXGJ-UHFFFAOYSA-N 0 1 419.529 4.120 20 0 HIADMN CN(CCNC(=O)Nc1cccc(COCc2ccco2)c1)Cc1ccc(F)cc1 ZINC000483440033 899075535 /nfs/dbraw/zinc/07/55/35/899075535.db2.gz GDDWXMIIPJKZTJ-UHFFFAOYSA-N 0 1 411.477 4.389 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000483527248 899189781 /nfs/dbraw/zinc/18/97/81/899189781.db2.gz CSUGATMQSNSGHK-YESZJQIVSA-N 0 1 401.473 4.475 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000483546612 899208256 /nfs/dbraw/zinc/20/82/56/899208256.db2.gz CODSHQWRFNHEDT-UHFFFAOYSA-N 0 1 410.477 4.279 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCC[C@H](SCC)C1 ZINC000483553516 899211856 /nfs/dbraw/zinc/21/18/56/899211856.db2.gz PMRKITRKOKGZQL-MJGOQNOKSA-N 0 1 420.623 4.023 20 0 HIADMN COc1ccc(Br)cc1[C@H]1CCCN1CCC(=O)Nc1cccnc1 ZINC000483556288 899215149 /nfs/dbraw/zinc/21/51/49/899215149.db2.gz DZVQQGGJBROPRD-QGZVFWFLSA-N 0 1 404.308 4.018 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000483598672 899250052 /nfs/dbraw/zinc/25/00/52/899250052.db2.gz GJVHTWQWUYXCQH-UHFFFAOYSA-N 0 1 410.905 4.091 20 0 HIADMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000483611851 899263671 /nfs/dbraw/zinc/26/36/71/899263671.db2.gz GLIBBNVAGCFNKM-ZDUSSCGKSA-N 0 1 402.292 4.268 20 0 HIADMN COc1ccccc1O[C@H](C)CN[C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000483627820 899282379 /nfs/dbraw/zinc/28/23/79/899282379.db2.gz XGBCAZVLTSPQPA-CABCVRRESA-N 0 1 400.910 4.356 20 0 HIADMN CCc1ccc(-c2noc([C@H](C)NCc3nc4c(s3)CN(C(C)C)CC4)n2)cc1 ZINC000483652082 899309659 /nfs/dbraw/zinc/30/96/59/899309659.db2.gz JUZIIRGZEHVMKI-HNNXBMFYSA-N 0 1 411.575 4.373 20 0 HIADMN CCCc1ccc([C@@H](NC(=O)N2CCC[C@H](CN3CCOCC3)C2)C(C)C)cc1 ZINC000483660395 899320857 /nfs/dbraw/zinc/32/08/57/899320857.db2.gz KGGZHDZPUSETDE-GGAORHGYSA-N 0 1 401.595 4.090 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)c1 ZINC000483695368 899352586 /nfs/dbraw/zinc/35/25/86/899352586.db2.gz GVCMDCWKIIWJII-JOCHJYFZSA-N 0 1 408.542 4.265 20 0 HIADMN CO[C@H](C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(O)cc1 ZINC000483718429 899377650 /nfs/dbraw/zinc/37/76/50/899377650.db2.gz CZJFLVHEEXQKLU-QFIPXVFZSA-N 0 1 405.429 4.325 20 0 HIADMN CN(CCNC(=O)NCc1nc2cc(Cl)ccc2s1)Cc1ccc(F)cc1 ZINC000483719905 899379543 /nfs/dbraw/zinc/37/95/43/899379543.db2.gz DJKJILMUTCCDGW-UHFFFAOYSA-N 0 1 406.914 4.020 20 0 HIADMN Cc1ccccc1COc1cccc(NC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000483739289 899402046 /nfs/dbraw/zinc/40/20/46/899402046.db2.gz DQHQNMIZMYNUOU-UHFFFAOYSA-N 0 1 414.465 4.336 20 0 HIADMN Cc1c(Br)ccc(NC(=O)NCCc2nnc(-c3ccccc3)[nH]2)c1F ZINC000483773321 899436299 /nfs/dbraw/zinc/43/62/99/899436299.db2.gz MDUCHFYVJPSYHI-UHFFFAOYSA-N 0 1 418.270 4.046 20 0 HIADMN Cc1c2ccccc2oc1[C@@H](NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)C(C)C ZINC000483827883 899504607 /nfs/dbraw/zinc/50/46/07/899504607.db2.gz APJANEOHOCDQLW-JTSKRJEESA-N 0 1 413.562 4.333 20 0 HIADMN COC[C@H](CC(C)C)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000483832366 899512381 /nfs/dbraw/zinc/51/23/81/899512381.db2.gz HGPYUAYZXBREEI-FPOVZHCZSA-N 0 1 409.979 4.484 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000483847331 899527623 /nfs/dbraw/zinc/52/76/23/899527623.db2.gz HMRFOGWGBFEUKW-LLVKDONJSA-N 0 1 405.285 4.037 20 0 HIADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000483853396 899536773 /nfs/dbraw/zinc/53/67/73/899536773.db2.gz HFLFHCQIWWGEHV-ZTNFWEORSA-N 0 1 405.926 4.145 20 0 HIADMN C[C@@H](NC(=O)N1CCC[C@H](CN2CCOCC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000483859087 899541946 /nfs/dbraw/zinc/54/19/46/899541946.db2.gz SSWYEXKPJZLJAB-NHCUHLMSSA-N 0 1 407.558 4.168 20 0 HIADMN C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc(-n2cncn2)cc1Cl ZINC000483866537 899547688 /nfs/dbraw/zinc/54/76/88/899547688.db2.gz GNPSKGWPPRUOOD-OAHLLOKOSA-N 0 1 406.921 4.386 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(N4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000505661668 914359184 /nfs/dbraw/zinc/35/91/84/914359184.db2.gz NQIPKDQUSBPQCH-BGYRXZFFSA-N 0 1 422.573 4.218 20 0 HIADMN CCOCCN1CCN(C(=O)Nc2cccc(-c3nc(C)cs3)c2)C[C@@H]1CC ZINC000483900947 899572045 /nfs/dbraw/zinc/57/20/45/899572045.db2.gz WPCTZIPBNMLKFQ-IBGZPJMESA-N 0 1 402.564 4.083 20 0 HIADMN CCOc1cc(Cl)ccc1NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000483926629 899587972 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BCUAEOWSHPHSEW-QNWVGRARSA-N 0 1 402.485 4.288 20 0 HIADMN CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000493928221 905281626 /nfs/dbraw/zinc/28/16/26/905281626.db2.gz XQBMMVOSJSMUNU-MSOLQXFVSA-N 0 1 406.617 4.452 20 0 HIADMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N1CCC[C@H]1c1cccs1 ZINC000493928515 905281865 /nfs/dbraw/zinc/28/18/65/905281865.db2.gz UKPUPLZIIMLXOY-UUZHKXTQSA-N 0 1 406.498 4.198 20 0 HIADMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000493928938 905281914 /nfs/dbraw/zinc/28/19/14/905281914.db2.gz VWUDNVYTLYTBFN-NBHSMZAVSA-N 0 1 412.383 4.013 20 0 HIADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N(Cc1ccco1)c1ccccc1 ZINC000493966804 905317021 /nfs/dbraw/zinc/31/70/21/905317021.db2.gz CSKLOJGMKUDZRS-GGAORHGYSA-N 0 1 412.436 4.211 20 0 HIADMN Clc1cccc([C@@H](CN[C@@H](c2ccccc2)c2ccccn2)N2CCOCC2)c1 ZINC000494004025 905346946 /nfs/dbraw/zinc/34/69/46/905346946.db2.gz NNAHHMLPGITUNH-RPWUZVMVSA-N 0 1 407.945 4.488 20 0 HIADMN COc1ccc([C@H](N[C@@H](C)CCN2CCOCC2)c2ccccc2Cl)cc1OC ZINC000494012298 905352463 /nfs/dbraw/zinc/35/24/63/905352463.db2.gz NYLZDXCINJYMSB-SBUREZEXSA-N 0 1 418.965 4.147 20 0 HIADMN Cn1cc([C@H](NCCOc2ccc(Br)cc2)c2cccc(F)c2)cn1 ZINC000494038861 905379712 /nfs/dbraw/zinc/37/97/12/905379712.db2.gz MSXMAJNCZVMGBT-LJQANCHMSA-N 0 1 404.283 4.080 20 0 HIADMN CSc1cnn(-c2ccccc2)c1NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000494122207 905466031 /nfs/dbraw/zinc/46/60/31/905466031.db2.gz ANPUNIPJRKFMNB-UHFFFAOYSA-N 0 1 413.522 4.117 20 0 HIADMN C[C@H]1CCN(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CCS1 ZINC000494123326 905466197 /nfs/dbraw/zinc/46/61/97/905466197.db2.gz FCUCBQLYYKHHRK-GHTZIAJQSA-N 0 1 407.583 4.243 20 0 HIADMN Cc1ccc(OCCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(Br)c1 ZINC000494156918 905492420 /nfs/dbraw/zinc/49/24/20/905492420.db2.gz AOCILFAPJMJZBR-SFHVURJKSA-N 0 1 423.326 4.085 20 0 HIADMN COCCN(CCc1nc(-c2ccccc2)no1)Cc1ccc(Br)s1 ZINC000494279196 905601931 /nfs/dbraw/zinc/60/19/31/905601931.db2.gz IATLHENLPOAQTI-UHFFFAOYSA-N 0 1 422.348 4.252 20 0 HIADMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)CC(=O)Nc3cc(Cl)ccc3C)n2)c1 ZINC000494350796 905655179 /nfs/dbraw/zinc/65/51/79/905655179.db2.gz NWVULBJATBHXSP-GJZGRUSLSA-N 0 1 412.925 4.205 20 0 HIADMN Cc1ccccc1NC(=O)Cc1nc(CN2CCCCC[C@@H]2C[C@H](C)O)cs1 ZINC000512444299 921166387 /nfs/dbraw/zinc/16/63/87/921166387.db2.gz MWBDFKLANBXSQM-PKOBYXMFSA-N 0 1 401.576 4.148 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCCCc2ccccn2)c2cc(F)ccc2F)c1 ZINC000494382207 905678082 /nfs/dbraw/zinc/67/80/82/905678082.db2.gz DHAPDQYZMMTWKZ-QFIPXVFZSA-N 0 1 416.493 4.075 20 0 HIADMN CC(C)C1CCC(N2CCN(C(=O)Nc3nc(C4CCOCC4)cs3)CC2)CC1 ZINC000494386451 905681910 /nfs/dbraw/zinc/68/19/10/905681910.db2.gz QRPZSKZYPJMXFY-UHFFFAOYSA-N 0 1 420.623 4.401 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCCCc2ccccn2)c2ccc(F)cc2F)c1 ZINC000494400644 905692199 /nfs/dbraw/zinc/69/21/99/905692199.db2.gz BJYGSZJYIMQORX-QFIPXVFZSA-N 0 1 416.493 4.075 20 0 HIADMN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000494424621 905712626 /nfs/dbraw/zinc/71/26/26/905712626.db2.gz XVNLLRXHSCAASE-KRWDZBQOSA-N 0 1 410.495 4.202 20 0 HIADMN COC[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc(Cl)cc1 ZINC000494431260 905718971 /nfs/dbraw/zinc/71/89/71/905718971.db2.gz DFVPWLVYFDYAFW-PMACEKPBSA-N 0 1 408.876 4.087 20 0 HIADMN Cc1[nH]c2ccccc2c1CC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000494437376 905720406 /nfs/dbraw/zinc/72/04/06/905720406.db2.gz BZZCBAWPOSMACT-UHFFFAOYSA-N 0 1 419.506 4.458 20 0 HIADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000494443140 905727550 /nfs/dbraw/zinc/72/75/50/905727550.db2.gz ARPVBBRFDMLZOR-WMZOPIPTSA-N 0 1 414.811 4.297 20 0 HIADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)CC1 ZINC000494453438 905735068 /nfs/dbraw/zinc/73/50/68/905735068.db2.gz LCGRQMQZIGIMBD-UHFFFAOYSA-N 0 1 414.571 4.205 20 0 HIADMN O=C(CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)Nc1nc(-c2cccs2)cs1 ZINC000494458763 905739839 /nfs/dbraw/zinc/73/98/39/905739839.db2.gz VSZPKLOSDIRLTC-KSSFIOAISA-N 0 1 421.494 4.208 20 0 HIADMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000494468746 905749941 /nfs/dbraw/zinc/74/99/41/905749941.db2.gz CLKJLNLLIWFXIJ-WYJQDXMBSA-N 0 1 420.956 4.372 20 0 HIADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000494469496 905751013 /nfs/dbraw/zinc/75/10/13/905751013.db2.gz GFEHOTQTQMGOEQ-MOPGFXCFSA-N 0 1 410.470 4.369 20 0 HIADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)Nc1nc(-c2ccco2)cs1 ZINC000494477698 905758563 /nfs/dbraw/zinc/75/85/63/905758563.db2.gz SXLNUASWEYGQAD-KDOFPFPSSA-N 0 1 403.891 4.115 20 0 HIADMN CCN1CCC(N(c2ccccc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000494480864 905763340 /nfs/dbraw/zinc/76/33/40/905763340.db2.gz BFUIIJLQXXOFDA-UHFFFAOYSA-N 0 1 412.477 4.385 20 0 HIADMN O=C(CN[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)Nc1nc2ccccc2s1 ZINC000494482097 905763569 /nfs/dbraw/zinc/76/35/69/905763569.db2.gz DKWQUTCHIZBLTB-MAUKXSAKSA-N 0 1 405.882 4.147 20 0 HIADMN CCCOCc1ccccc1CNC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494489354 905773240 /nfs/dbraw/zinc/77/32/40/905773240.db2.gz APRMXKHNEXKSJC-FYYLOGMGSA-N 0 1 416.949 4.003 20 0 HIADMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000494493790 905778644 /nfs/dbraw/zinc/77/86/44/905778644.db2.gz KLKYTEBQJRHMOR-ICCDWZQGSA-N 0 1 408.876 4.304 20 0 HIADMN CCN(C(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000494493196 905778695 /nfs/dbraw/zinc/77/86/95/905778695.db2.gz IBTRDWNOAOZHLO-YLJYHZDGSA-N 0 1 415.946 4.422 20 0 HIADMN CC(C)[C@H](NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000494497682 905786579 /nfs/dbraw/zinc/78/65/79/905786579.db2.gz SECXQQZLHZPLFL-HJNYFJLDSA-N 0 1 404.913 4.412 20 0 HIADMN O=C(CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N[C@H]1CCCc2ccccc21 ZINC000494498421 905787847 /nfs/dbraw/zinc/78/78/47/905787847.db2.gz VRNQZTQAIWUUTJ-VWPQPMDRSA-N 0 1 402.897 4.093 20 0 HIADMN C[C@@H](CNC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000494499477 905787908 /nfs/dbraw/zinc/78/79/08/905787908.db2.gz ZAICWHPLSOCGKW-VUEDXXQZSA-N 0 1 404.913 4.207 20 0 HIADMN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494498613 905788184 /nfs/dbraw/zinc/78/81/84/905788184.db2.gz WMDSATNYAXJFNT-YJPXFSGGSA-N 0 1 404.913 4.473 20 0 HIADMN CCCC[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cc(C)on1 ZINC000494500181 905790531 /nfs/dbraw/zinc/79/05/31/905790531.db2.gz CRYDORTZEMSUBV-AOIWGVFYSA-N 0 1 409.889 4.393 20 0 HIADMN CCCC[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1cc(C)on1 ZINC000494500183 905790731 /nfs/dbraw/zinc/79/07/31/905790731.db2.gz CRYDORTZEMSUBV-LNLFQRSKSA-N 0 1 409.889 4.393 20 0 HIADMN CCc1ccc(CN(C)C(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000494501709 905792236 /nfs/dbraw/zinc/79/22/36/905792236.db2.gz HVDVWSYTRMSPJX-UNMCSNQZSA-N 0 1 404.913 4.120 20 0 HIADMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494501352 905793474 /nfs/dbraw/zinc/79/34/74/905793474.db2.gz HOGRIXXLMRXXFX-JHUWSKFTSA-N 0 1 420.912 4.173 20 0 HIADMN O=C(Nc1nc2c(cccc2Br)s1)N1CCN(C2CCCC2)CC1 ZINC000494504183 905794617 /nfs/dbraw/zinc/79/46/17/905794617.db2.gz PZUJXCVMXFSTIV-UHFFFAOYSA-N 0 1 409.353 4.151 20 0 HIADMN Cc1c(C(=O)Nc2cccc3c2CN(CC(C)C)C3)nnn1-c1cccc(Cl)c1 ZINC000494510662 905801820 /nfs/dbraw/zinc/80/18/20/905801820.db2.gz YZLAWUPUUZDIGV-UHFFFAOYSA-N 0 1 409.921 4.453 20 0 HIADMN CCOc1ccccc1NC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494511971 905803356 /nfs/dbraw/zinc/80/33/56/905803356.db2.gz XQSFRQPLAIEHAC-YHJVDBJQSA-N 0 1 406.885 4.325 20 0 HIADMN COc1ccccc1C1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCCCC1 ZINC000494519360 905809563 /nfs/dbraw/zinc/80/95/63/905809563.db2.gz LSDQTKPYBXUPDY-GOSISDBHSA-N 0 1 408.546 4.299 20 0 HIADMN Cc1ccc(CN[C@H](C)c2ccc(Br)cc2C(F)(F)F)c(=O)n1C ZINC000494520472 905811021 /nfs/dbraw/zinc/81/10/21/905811021.db2.gz BIWPQNRQIGNPSN-LLVKDONJSA-N 0 1 403.242 4.326 20 0 HIADMN C[C@H](CCCC(F)(F)F)NC(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000494557439 905833152 /nfs/dbraw/zinc/83/31/52/905833152.db2.gz AENFURNIZDNHMV-IKGGRYGDSA-N 0 1 415.500 4.216 20 0 HIADMN CC(C)(NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C(=O)NCC1CCCC1 ZINC000494578692 905846728 /nfs/dbraw/zinc/84/67/28/905846728.db2.gz JPUVOCDWAYDZHF-UHFFFAOYSA-N 0 1 422.495 4.125 20 0 HIADMN FC(F)(F)c1ccc(Cn2cc(CNCc3ccc4c(c3)OCCCO4)cn2)cc1 ZINC000494610391 905862026 /nfs/dbraw/zinc/86/20/26/905862026.db2.gz ZRTFBJTVBZJGGT-UHFFFAOYSA-N 0 1 417.431 4.401 20 0 HIADMN Cc1ccsc1[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000494627017 905870034 /nfs/dbraw/zinc/87/00/34/905870034.db2.gz UZQQTFGOZUFCEC-HZMBPMFUSA-N 0 1 406.857 4.379 20 0 HIADMN CC[C@H](C)[C@@H](NCc1cccc(O)c1OC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000494632634 905874590 /nfs/dbraw/zinc/87/45/90/905874590.db2.gz MBPXWOVKVBYZKW-HTAPYJJXSA-N 0 1 411.546 4.144 20 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938497248 /nfs/dbraw/zinc/49/72/48/938497248.db2.gz CHMQLGSCLACGIV-CYBMUJFWSA-N 0 1 400.429 4.275 20 0 HIADMN CC(C)c1ccc(C[C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000538105142 938503831 /nfs/dbraw/zinc/50/38/31/938503831.db2.gz HJJVNCIKPJUDQB-CYBMUJFWSA-N 0 1 414.456 4.310 20 0 HIADMN CN(C)c1ccccc1CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000538118002 938506973 /nfs/dbraw/zinc/50/69/73/938506973.db2.gz OBKNXFUVWAUQNN-LJQANCHMSA-N 0 1 405.464 4.225 20 0 HIADMN CN(C)c1ccccc1CN[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000538118001 938507117 /nfs/dbraw/zinc/50/71/17/938507117.db2.gz OBKNXFUVWAUQNN-IBGZPJMESA-N 0 1 405.464 4.225 20 0 HIADMN COc1cccc2sc(NC(=O)CN[C@@H](C)c3cccc(OC(F)F)c3)nc21 ZINC000538118957 938507625 /nfs/dbraw/zinc/50/76/25/938507625.db2.gz VZDULTLXWDFYSR-NSHDSACASA-N 0 1 407.442 4.196 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN([C@@H]4CCN(c5c(F)cccc5F)C4=O)C3)[nH]c2c1 ZINC000538119867 938508457 /nfs/dbraw/zinc/50/84/57/938508457.db2.gz UXDJIIVVQXXFLD-MGPUTAFESA-N 0 1 410.468 4.134 20 0 HIADMN C[C@H](NCC(=O)N1c2ccccc2C[C@H]1C)c1ccc(OCc2cccnc2)cc1 ZINC000538123731 938509817 /nfs/dbraw/zinc/50/98/17/938509817.db2.gz APLYQMHDVFQRGC-MOPGFXCFSA-N 0 1 401.510 4.289 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000538129330 938513823 /nfs/dbraw/zinc/51/38/23/938513823.db2.gz ZMRJTYFQYIVRGT-KGLIPLIRSA-N 0 1 405.901 4.135 20 0 HIADMN Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000538133554 938515706 /nfs/dbraw/zinc/51/57/06/938515706.db2.gz QTRFNEXWLAFTCH-MRXNPFEDSA-N 0 1 404.580 4.114 20 0 HIADMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCSCC3)cc2C)c(Cl)c1 ZINC000538132375 938516090 /nfs/dbraw/zinc/51/60/90/938516090.db2.gz XUJVYDHNMBREMR-UHFFFAOYSA-N 0 1 410.992 4.306 20 0 HIADMN CCC[C@H](NCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000538140101 938518303 /nfs/dbraw/zinc/51/83/03/938518303.db2.gz PLFHLYLQMRMEKH-SFHVURJKSA-N 0 1 421.463 4.233 20 0 HIADMN C[C@@H](NCC(=O)N[C@@H](C)Cc1c(F)cccc1F)c1ccc(Br)cc1 ZINC000538145172 938519714 /nfs/dbraw/zinc/51/97/14/938519714.db2.gz SDJKZZCYMLSOOV-QWHCGFSZSA-N 0 1 411.290 4.125 20 0 HIADMN COc1ccccc1N1CC[C@H](N[C@H](C)c2cccc(OCc3ccccn3)c2)C1=O ZINC000538149966 938522022 /nfs/dbraw/zinc/52/20/22/938522022.db2.gz GAYNVNHPMDEKFF-GCJKJVERSA-N 0 1 417.509 4.125 20 0 HIADMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(OC(C)C)c(OC)c2)cc1Cl ZINC000538150754 938522864 /nfs/dbraw/zinc/52/28/64/938522864.db2.gz LKTKRJPVCYIYDL-CQSZACIVSA-N 0 1 406.910 4.434 20 0 HIADMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000538150415 938522984 /nfs/dbraw/zinc/52/29/84/938522984.db2.gz KDUQTHXHZJKHLC-HUUCEWRRSA-N 0 1 415.484 4.184 20 0 HIADMN Cc1cc(NC(=O)CN[C@H](C)c2cccc(OCc3ccccn3)c2)n(C(C)(C)C)n1 ZINC000538151335 938524004 /nfs/dbraw/zinc/52/40/04/938524004.db2.gz SOVAOFHCSMXHNQ-GOSISDBHSA-N 0 1 421.545 4.210 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000538153190 938524969 /nfs/dbraw/zinc/52/49/69/938524969.db2.gz QEUTVGKQOKCLII-ZDUSSCGKSA-N 0 1 421.419 4.223 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc3c(c2)OCO3)ccc1OC1CCCC1 ZINC000538153396 938525599 /nfs/dbraw/zinc/52/55/99/938525599.db2.gz STRAFSHGEDBFIV-OAHLLOKOSA-N 0 1 412.486 4.035 20 0 HIADMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1OCC ZINC000538165563 938531753 /nfs/dbraw/zinc/53/17/53/938531753.db2.gz OISCXGVHQUVXTO-SQGPQFPESA-N 0 1 412.530 4.163 20 0 HIADMN C[C@H](NCC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccc2c(c1)OCO2 ZINC000538169000 938533559 /nfs/dbraw/zinc/53/35/59/938533559.db2.gz ZVDOTEFHXXEIEO-INIZCTEOSA-N 0 1 421.522 4.392 20 0 HIADMN COc1cc([C@H](C)NCC(=O)Nc2ccc3c(c2)OCO3)ccc1OCCC(C)C ZINC000538178009 938539328 /nfs/dbraw/zinc/53/93/28/938539328.db2.gz NKQWCVQVVJQWGM-INIZCTEOSA-N 0 1 414.502 4.138 20 0 HIADMN CCOc1cccc([C@@H](C)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000538177885 938539522 /nfs/dbraw/zinc/53/95/22/938539522.db2.gz JCPORNJHGGDAMQ-XMSQKQJNSA-N 0 1 424.541 4.261 20 0 HIADMN CC(C)CN(CC(C)C)C(=O)CN[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538186755 938543175 /nfs/dbraw/zinc/54/31/75/938543175.db2.gz BFTHCJUQUSYQLK-LJQANCHMSA-N 0 1 410.562 4.125 20 0 HIADMN CCOC(=O)c1sc2[nH]c([C@H](C)N[C@@H](C)c3cccc(C)c3C)nc(=O)c2c1C ZINC000538188189 938544999 /nfs/dbraw/zinc/54/49/99/938544999.db2.gz MOCYKRWNXHCXAB-GJZGRUSLSA-N 0 1 413.543 4.498 20 0 HIADMN CCOC(=O)c1sc2[n-]c([C@H](C)[NH2+][C@@H](C)c3cccc(C)c3C)nc(=O)c2c1C ZINC000538188189 938545002 /nfs/dbraw/zinc/54/50/02/938545002.db2.gz MOCYKRWNXHCXAB-GJZGRUSLSA-N 0 1 413.543 4.498 20 0 HIADMN COc1cc(C)c([C@H](C)NCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000538189703 938545400 /nfs/dbraw/zinc/54/54/00/938545400.db2.gz JDEZKVHZUNQZAL-INIZCTEOSA-N 0 1 422.529 4.104 20 0 HIADMN COc1cc(C)c([C@@H](C)NCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1OC ZINC000538190475 938546339 /nfs/dbraw/zinc/54/63/39/938546339.db2.gz NNYCEHGGQMBMHC-MWTRTKDXSA-N 0 1 402.510 4.315 20 0 HIADMN O=C(CN[C@H](CCCO)c1ccccc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000538194497 938548528 /nfs/dbraw/zinc/54/85/28/938548528.db2.gz JTEMTDXQISBWFM-NFBKMPQASA-N 0 1 412.530 4.196 20 0 HIADMN Cc1nn(C)c(C)c1CCCNC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000538195646 938549285 /nfs/dbraw/zinc/54/92/85/938549285.db2.gz WFMGPTWNSVHIFJ-IBGZPJMESA-N 0 1 414.941 4.046 20 0 HIADMN COc1cc(C)c([C@H](C)NCC(=O)N(C)Cc2ccc(SC)cc2)cc1OC ZINC000538198743 938551146 /nfs/dbraw/zinc/55/11/46/938551146.db2.gz NIFYLDDMAGCBOX-INIZCTEOSA-N 0 1 402.560 4.043 20 0 HIADMN CC[C@@H](C)[C@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000538199234 938551911 /nfs/dbraw/zinc/55/19/11/938551911.db2.gz YIYYDVXGAZQBPN-VLIAUNLRSA-N 0 1 408.951 4.059 20 0 HIADMN COc1cc(NC(=O)CNC(C)(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000538205541 938553572 /nfs/dbraw/zinc/55/35/72/938553572.db2.gz UJUWXZHZRKPODA-UHFFFAOYSA-N 0 1 420.509 4.204 20 0 HIADMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1nc2ccccc2s1 ZINC000538208395 938556082 /nfs/dbraw/zinc/55/60/82/938556082.db2.gz QONDRIASLYLZQN-LSDHHAIUSA-N 0 1 408.527 4.101 20 0 HIADMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000538219523 938562001 /nfs/dbraw/zinc/56/20/01/938562001.db2.gz OTCAVYYHXLRRLT-JMUQELJHSA-N 0 1 402.579 4.059 20 0 HIADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1ccc(Br)c(Cl)c1 ZINC000538222271 938562639 /nfs/dbraw/zinc/56/26/39/938562639.db2.gz RTJKQAIBGNACSR-UHFFFAOYSA-N 0 1 423.738 4.312 20 0 HIADMN CCOc1ccccc1[C@@H](CC(C)C)NCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000538227812 938565649 /nfs/dbraw/zinc/56/56/49/938565649.db2.gz JIJLVJIRAWDPSK-OAQYLSRUSA-N 0 1 411.546 4.103 20 0 HIADMN C[C@H](Cc1c(F)cccc1F)NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000538235805 938568557 /nfs/dbraw/zinc/56/85/57/938568557.db2.gz OUGSITMCBRFPFG-SJORKVTESA-N 0 1 409.480 4.425 20 0 HIADMN Cc1ccc(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)cc2)c(Br)c1 ZINC000538236929 938569293 /nfs/dbraw/zinc/56/92/93/938569293.db2.gz DEIHARHYEFZLLZ-OAHLLOKOSA-N 0 1 413.319 4.233 20 0 HIADMN CCOC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000538239698 938570920 /nfs/dbraw/zinc/57/09/20/938570920.db2.gz ZLXHPJOFALOJOR-QGZVFWFLSA-N 0 1 403.482 4.215 20 0 HIADMN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538240380 938571554 /nfs/dbraw/zinc/57/15/54/938571554.db2.gz UGOPSWGSFSULTD-JKSUJKDBSA-N 0 1 416.481 4.499 20 0 HIADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000538244866 938572391 /nfs/dbraw/zinc/57/23/91/938572391.db2.gz OJXUIKYSGNXSSZ-OAHLLOKOSA-N 0 1 421.463 4.477 20 0 HIADMN Cn1cc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 ZINC000538266445 938578930 /nfs/dbraw/zinc/57/89/30/938578930.db2.gz NHCLGRIYIXHICL-UHFFFAOYSA-N 0 1 408.933 4.089 20 0 HIADMN COc1ccc([C@H](CN[C@H](c2ccn(C)n2)c2ccc(F)cc2)N2CCCC2)cc1 ZINC000538267655 938579459 /nfs/dbraw/zinc/57/94/59/938579459.db2.gz MYVAFLYBTOXDRW-ZEQRLZLVSA-N 0 1 408.521 4.084 20 0 HIADMN CCCCCc1nnc(NC(=O)CN[C@@H](C)c2cccc(N3CCCC3)c2)s1 ZINC000538275685 938581131 /nfs/dbraw/zinc/58/11/31/938581131.db2.gz CFVKSMNRBYLGGT-INIZCTEOSA-N 0 1 401.580 4.160 20 0 HIADMN Cn1cc([C@H](NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(C)(C)C)cn1 ZINC000538275866 938581180 /nfs/dbraw/zinc/58/11/80/938581180.db2.gz CQUYKADZRFJQQM-INIZCTEOSA-N 0 1 402.848 4.408 20 0 HIADMN CC[C@H](C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000538297707 938586386 /nfs/dbraw/zinc/58/63/86/938586386.db2.gz AWHALXDDGMZLND-JXQFQVJHSA-N 0 1 410.558 4.114 20 0 HIADMN CCOc1cccc([C@H]2C[C@H]2NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000538306737 938588948 /nfs/dbraw/zinc/58/89/48/938588948.db2.gz WGZVDHHHPJDCLA-DHIUTWEWSA-N 0 1 411.521 4.044 20 0 HIADMN CCOc1ccc(Oc2cc(CNCc3cnc4nc(C)cc(C)n34)ccn2)cc1 ZINC000538322486 938592233 /nfs/dbraw/zinc/59/22/33/938592233.db2.gz XJMIYRDJXDTNHB-UHFFFAOYSA-N 0 1 403.486 4.222 20 0 HIADMN CCCCNC(=O)c1ccc(CNCc2cc(Br)c(OC)s2)cc1 ZINC000538347076 938599749 /nfs/dbraw/zinc/59/97/49/938599749.db2.gz DMJBUXOEIQPSNH-UHFFFAOYSA-N 0 1 411.365 4.339 20 0 HIADMN CCC[C@H]1CN(C(=O)N[C@H](CC)c2c(C)nn(C)c2C)CCN1Cc1ccccc1 ZINC000538374567 938606483 /nfs/dbraw/zinc/60/64/83/938606483.db2.gz NXUDJIBHRTZPEH-FCHUYYIVSA-N 0 1 411.594 4.184 20 0 HIADMN COc1ccc([C@H](C)NCCNC(=O)c2ccccc2Cl)c(Br)c1 ZINC000538409142 938613480 /nfs/dbraw/zinc/61/34/80/938613480.db2.gz FNMPDYFAWPQUOZ-LBPRGKRZSA-N 0 1 411.727 4.192 20 0 HIADMN C[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc2cc(Br)ccc2o1 ZINC000538409070 938613494 /nfs/dbraw/zinc/61/34/94/938613494.db2.gz COBCQTRHXKNCML-MFKMUULPSA-N 0 1 419.241 4.399 20 0 HIADMN CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC000563466448 945191512 /nfs/dbraw/zinc/19/15/12/945191512.db2.gz UTNBPUNERYFXCD-LJQANCHMSA-N 0 1 423.536 4.208 20 0 HIADMN Cc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)nn1-c1ccc(C)cc1 ZINC000538530718 938642564 /nfs/dbraw/zinc/64/25/64/938642564.db2.gz DYYGZEHBMMIRRT-OAQYLSRUSA-N 0 1 401.470 4.469 20 0 HIADMN Cc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)nn1-c1ccc(C)cc1 ZINC000538530709 938642664 /nfs/dbraw/zinc/64/26/64/938642664.db2.gz DYYGZEHBMMIRRT-NRFANRHFSA-N 0 1 401.470 4.469 20 0 HIADMN C[C@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538552343 938647369 /nfs/dbraw/zinc/64/73/69/938647369.db2.gz XDZZMPOGJMTTAY-INIZCTEOSA-N 0 1 413.539 4.472 20 0 HIADMN CC(=O)N(c1nc(CN2CCC[C@H]2C2CCOCC2)cs1)c1ccc(F)cc1 ZINC000538569596 938651890 /nfs/dbraw/zinc/65/18/90/938651890.db2.gz GAZMVUBKZDWVRB-FQEVSTJZSA-N 0 1 403.523 4.358 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000538589635 938656783 /nfs/dbraw/zinc/65/67/83/938656783.db2.gz OEODYNUWLHBISB-UHFFFAOYSA-N 0 1 419.356 4.341 20 0 HIADMN COc1ccc(C2(C(=O)NCc3ccc(CN(C)C)c(F)c3)CCCC2)cc1OC ZINC000538604557 938659937 /nfs/dbraw/zinc/65/99/37/938659937.db2.gz BHQKEBUOUDIEPL-UHFFFAOYSA-N 0 1 414.521 4.033 20 0 HIADMN CCCSc1nsc(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000538614214 938661796 /nfs/dbraw/zinc/66/17/96/938661796.db2.gz GGLGQFIGABSFMI-CYBMUJFWSA-N 0 1 415.548 4.194 20 0 HIADMN 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C[C@H](NCC(=O)N(C)CCCOc1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000539326863 938842054 /nfs/dbraw/zinc/84/20/54/938842054.db2.gz YQHIUWBQVMWHGM-FQEVSTJZSA-N 0 1 403.526 4.327 20 0 HIADMN C[C@@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2cccnc2)cc1 ZINC000539333322 938843248 /nfs/dbraw/zinc/84/32/48/938843248.db2.gz XFAAAQQNEAZHHW-GOSISDBHSA-N 0 1 414.509 4.165 20 0 HIADMN C[C@H](NCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000539338532 938844718 /nfs/dbraw/zinc/84/47/18/938844718.db2.gz DVFZLXKPQWPGMN-KRWDZBQOSA-N 0 1 409.917 4.248 20 0 HIADMN COc1ccccc1-c1ccc([C@H](C)NCC(=O)Nc2nnc(-c3ccco3)o2)cc1 ZINC000539340707 938844853 /nfs/dbraw/zinc/84/48/53/938844853.db2.gz HZJWTKBUPQFLSK-HNNXBMFYSA-N 0 1 418.453 4.295 20 0 HIADMN CC[C@H]1Oc2cc([C@H](C)NCc3cccc(C(=O)NCC(C)C)c3)ccc2NC1=O ZINC000539359270 938848183 /nfs/dbraw/zinc/84/81/83/938848183.db2.gz PEMQJQAKMLDFES-HRAATJIYSA-N 0 1 409.530 4.033 20 0 HIADMN C[C@@H](NCC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1C(F)(F)F ZINC000539359449 938848228 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COc1cccc2cc([C@H](C)NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)oc21 ZINC000539498312 938868896 /nfs/dbraw/zinc/86/88/96/938868896.db2.gz FJADKJLTIHXTBB-JXFKEZNVSA-N 0 1 408.498 4.201 20 0 HIADMN COc1cccc2cc([C@H](C)N[C@@H]3CC(=O)N(C)[C@H]3c3ccc(F)c(F)c3)oc21 ZINC000539507428 938870425 /nfs/dbraw/zinc/87/04/25/938870425.db2.gz NIEUBDBWGILSFC-VVUGWJFESA-N 0 1 400.425 4.342 20 0 HIADMN CCOc1cccc2cc([C@@H](C)N[C@@H]3CCN(Cc4ccc(OC)cc4)C3=O)oc21 ZINC000539510006 938871141 /nfs/dbraw/zinc/87/11/41/938871141.db2.gz MYJZIBKGRCSGIT-OXQOHEQNSA-N 0 1 408.498 4.292 20 0 HIADMN Cc1cc(S(=O)(=O)Nc2cccc(COCCOc3ccccc3)c2)c(C)o1 ZINC000539550623 938878919 /nfs/dbraw/zinc/87/89/19/938878919.db2.gz WBYDFTJDYUIKEU-UHFFFAOYSA-N 0 1 401.484 4.293 20 0 HIADMN Cc1cc(Br)cc2cc([C@H](NCc3ccc(C(N)=O)nc3)C(C)C)oc21 ZINC000539558937 938879804 /nfs/dbraw/zinc/87/98/04/938879804.db2.gz JDYBZQIJKCMFAX-GOSISDBHSA-N 0 1 416.319 4.485 20 0 HIADMN CCC(CC)n1nc(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000539560744 938880043 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420.326 4.211 20 0 HIADMN C[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1ccc(OC(F)(F)F)cc1 ZINC000539650757 938893816 /nfs/dbraw/zinc/89/38/16/938893816.db2.gz RYYYYLGQKDWPRU-AUUYWEPGSA-N 0 1 407.436 4.208 20 0 HIADMN C[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cc(Br)ccc1F ZINC000539650105 938893976 /nfs/dbraw/zinc/89/39/76/938893976.db2.gz BRGBHQSBMUGNLF-DJJJIMSYSA-N 0 1 420.326 4.211 20 0 HIADMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000539653731 938894435 /nfs/dbraw/zinc/89/44/35/938894435.db2.gz AOGYPLVBIRPBCW-KRWDZBQOSA-N 0 1 402.535 4.340 20 0 HIADMN C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000539680049 938899572 /nfs/dbraw/zinc/89/95/72/938899572.db2.gz GUDMRIRKMBFUAO-BUXKBTBVSA-N 0 1 415.896 4.165 20 0 HIADMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000539688786 938902329 /nfs/dbraw/zinc/90/23/29/938902329.db2.gz VFYLGWJJVNXRIS-IXDOHACOSA-N 0 1 420.550 4.012 20 0 HIADMN O=C(c1c[nH]nc1-c1ccccc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539743658 938918609 /nfs/dbraw/zinc/91/86/09/938918609.db2.gz HVZXJUAJVYDLGB-SFHVURJKSA-N 0 1 404.518 4.262 20 0 HIADMN O=C(c1ccc2c(c1)OCCCO2)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539745109 938919238 /nfs/dbraw/zinc/91/92/38/938919238.db2.gz RYKXTBBAXPLOBF-SFHVURJKSA-N 0 1 410.518 4.034 20 0 HIADMN O=C(Cc1coc(-c2cccs2)n1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539751842 938921139 /nfs/dbraw/zinc/92/11/39/938921139.db2.gz OSDDWVCNDOQDKP-INIZCTEOSA-N 0 1 419.510 4.137 20 0 HIADMN COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000539752803 938921644 /nfs/dbraw/zinc/92/16/44/938921644.db2.gz RTWKGRXIQFRSEG-RXVVDRJESA-N 0 1 418.541 4.455 20 0 HIADMN O=C(CSc1ccc(F)cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539752785 938921796 /nfs/dbraw/zinc/92/17/96/938921796.db2.gz REAXATZGHGVEER-MRXNPFEDSA-N 0 1 402.539 4.490 20 0 HIADMN CCc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cnn1CC(C)C ZINC000539753927 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CC(C)(C)OC(=O)c1cccc(CSc2nc(O)cc(=O)n2C2CCCC2)c1 ZINC000410298962 855914553 /nfs/dbraw/zinc/91/45/53/855914553.db2.gz RZEXVEZXNGXZDS-UHFFFAOYSA-N 0 1 402.516 4.312 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000410351837 855943528 /nfs/dbraw/zinc/94/35/28/855943528.db2.gz GDWSKYBGQSCXHO-HDICACEKSA-N 0 1 415.965 4.291 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3cccc(Cl)c3)cc2)C[C@@H](C)O1 ZINC000410351839 855943592 /nfs/dbraw/zinc/94/35/92/855943592.db2.gz GDWSKYBGQSCXHO-QZTJIDSGSA-N 0 1 415.965 4.291 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000410355301 855945893 /nfs/dbraw/zinc/94/58/93/855945893.db2.gz ZHTNQNCZULJMQK-DNRQZRRGSA-N 0 1 421.585 4.213 20 0 HIADMN CCN(CCc1ccccc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410356794 855947636 /nfs/dbraw/zinc/94/76/36/855947636.db2.gz YEMRDMFFANHGGM-SFTDATJTSA-N 0 1 409.574 4.070 20 0 HIADMN O=S(=O)(Nc1ccccc1-n1cccn1)c1ccc(Cl)cc1Br ZINC000410365830 855953643 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Cc1nc(C)n(Cc2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2)n1 ZINC000425960609 856019560 /nfs/dbraw/zinc/01/95/60/856019560.db2.gz PBIOZZCSEBHFJL-UHFFFAOYSA-N 0 1 411.314 4.051 20 0 HIADMN CCN(CCNC(=O)NC[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)CCC(F)(F)F ZINC000425976667 856027273 /nfs/dbraw/zinc/02/72/73/856027273.db2.gz RPQLSHJQEMMFLM-RBUKOAKNSA-N 0 1 415.500 4.036 20 0 HIADMN CCN(CCNC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1)CCC(F)(F)F ZINC000425976666 856027588 /nfs/dbraw/zinc/02/75/88/856027588.db2.gz RPQLSHJQEMMFLM-OALUTQOASA-N 0 1 415.500 4.036 20 0 HIADMN CCN(CCNC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)CCC(F)(F)F ZINC000425989580 856033407 /nfs/dbraw/zinc/03/34/07/856033407.db2.gz TUIQKJKBIAUHMI-UHFFFAOYSA-N 0 1 411.468 4.264 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(Cl)ccc1OC ZINC000426016311 856049158 /nfs/dbraw/zinc/04/91/58/856049158.db2.gz XCALDRWCJFZNAS-UHFFFAOYSA-N 0 1 418.925 4.143 20 0 HIADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3(C)CCC3)ccc2Cl)cc1 ZINC000426021794 856051823 /nfs/dbraw/zinc/05/18/23/856051823.db2.gz KFIKGFGXGFGRKP-UHFFFAOYSA-N 0 1 408.907 4.278 20 0 HIADMN O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000426044083 856068232 /nfs/dbraw/zinc/06/82/32/856068232.db2.gz KFKHSVXFOKETAV-JSGCOSHPSA-N 0 1 405.955 4.364 20 0 HIADMN Cc1cccc2nc(CCC(=O)N[C@H](C)Cc3ccc(Br)cc3)[nH]c21 ZINC000426090508 856101621 /nfs/dbraw/zinc/10/16/21/856101621.db2.gz SRLKNTPPKMPDMP-CQSZACIVSA-N 0 1 400.320 4.314 20 0 HIADMN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1cnc(-c2ccco2)s1 ZINC000426147687 856140073 /nfs/dbraw/zinc/14/00/73/856140073.db2.gz HIVZNJISQNGFRG-OAHLLOKOSA-N 0 1 417.556 4.136 20 0 HIADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CCc3ccccc3)ccn2)cc1 ZINC000426175086 856155230 /nfs/dbraw/zinc/15/52/30/856155230.db2.gz FHMBIQCRHBSKCF-UHFFFAOYSA-N 0 1 409.511 4.016 20 0 HIADMN Cc1cccc2nc(CNC(=O)NCc3ccnc(Oc4ccccc4F)c3)[nH]c21 ZINC000426236381 856194040 /nfs/dbraw/zinc/19/40/40/856194040.db2.gz HFFSQJVFAAETLP-UHFFFAOYSA-N 0 1 405.433 4.197 20 0 HIADMN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000426267690 856211059 /nfs/dbraw/zinc/21/10/59/856211059.db2.gz NWUXMVSVGMXLPL-CYBMUJFWSA-N 0 1 409.902 4.588 20 0 HIADMN COc1ccccc1[C@@H](NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccco1 ZINC000426295695 856227191 /nfs/dbraw/zinc/22/71/91/856227191.db2.gz OCWVOXWPDZNHKA-WMZHIEFXSA-N 0 1 423.513 4.415 20 0 HIADMN Cn1c2ccccc2cc(CN[C@H]2CCCOc3c(Br)cccc32)c1=O ZINC000426295656 856227425 /nfs/dbraw/zinc/22/74/25/856227425.db2.gz OAXPSHPYWWRFKG-SFHVURJKSA-N 0 1 413.315 4.305 20 0 HIADMN CC1(C)OCc2cc(CN(CCO)Cc3cc(Br)cs3)ccc2O1 ZINC000426376363 856264109 /nfs/dbraw/zinc/26/41/09/856264109.db2.gz DKBDSUJHJAMALK-UHFFFAOYSA-N 0 1 412.349 4.150 20 0 HIADMN COCCN(Cc1ccc(Br)s1)Cc1cc(-n2ccnc2)cs1 ZINC000426377131 856265852 /nfs/dbraw/zinc/26/58/52/856265852.db2.gz BGNRVARGPAFLTH-UHFFFAOYSA-N 0 1 412.378 4.406 20 0 HIADMN CO[C@@H](C)c1nc(CN2CCCN(Cc3ccc4nc(C)sc4c3)CC2)cs1 ZINC000426397410 856274688 /nfs/dbraw/zinc/27/46/88/856274688.db2.gz RZHWXRRZJKOSNH-HNNXBMFYSA-N 0 1 416.616 4.477 20 0 HIADMN CCc1cc(C)c(C(=O)Nc2ccccc2N2CCN(CCc3ccncc3)CC2)o1 ZINC000426449780 856297104 /nfs/dbraw/zinc/29/71/04/856297104.db2.gz VRWARRZMXGWOTB-UHFFFAOYSA-N 0 1 418.541 4.162 20 0 HIADMN CCN(Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@@H](C)Cc1ccsc1 ZINC000426457505 856299350 /nfs/dbraw/zinc/29/93/50/856299350.db2.gz GWJROMRDEFHMEA-AWEZNQCLSA-N 0 1 417.531 4.277 20 0 HIADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N[C@H]1CCCC(F)(F)C1 ZINC000426465659 856305045 /nfs/dbraw/zinc/30/50/45/856305045.db2.gz AZWSRZXHXPNSHP-HOTGVXAUSA-N 0 1 405.411 4.157 20 0 HIADMN COCCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)[C@H]1CCOC1 ZINC000426516164 856329530 /nfs/dbraw/zinc/32/95/30/856329530.db2.gz LTIUVIDAPKGBAH-SFHVURJKSA-N 0 1 423.340 4.483 20 0 HIADMN COC(=O)[C@@H](C)Oc1ccc(CNCc2ccnc(Oc3ccccc3F)c2)cc1 ZINC000426552490 856345358 /nfs/dbraw/zinc/34/53/58/856345358.db2.gz JZOBGJVZWYMTJF-MRXNPFEDSA-N 0 1 410.445 4.243 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)n[nH]2)c(C)c1 ZINC000426605811 856370248 /nfs/dbraw/zinc/37/02/48/856370248.db2.gz PZOVYIRRMOZCKO-QGZVFWFLSA-N 0 1 400.486 4.107 20 0 HIADMN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N1CCC(c2cnc[nH]2)CC1 ZINC000426653116 856394833 /nfs/dbraw/zinc/39/48/33/856394833.db2.gz YPDBBVZYJXQMRN-UHFFFAOYSA-N 0 1 400.935 4.059 20 0 HIADMN O=C([O-])[C@@H](C[NH+]1CCCCC1)NCc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000426714333 856429650 /nfs/dbraw/zinc/42/96/50/856429650.db2.gz COXGGDGTISZONS-OAQYLSRUSA-N 0 1 420.912 4.087 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1cnn(-c2ccccc2)c1 ZINC000426728755 856438200 /nfs/dbraw/zinc/43/82/00/856438200.db2.gz XEGGOWIPGAQKDM-GOSISDBHSA-N 0 1 418.266 4.080 20 0 HIADMN O=C([O-])[C@@H](CSCCc1ccccc1)[NH2+]Cc1sccc1Br ZINC000426736531 856444208 /nfs/dbraw/zinc/44/42/08/856444208.db2.gz XWDIKYLSQUDXIS-CQSZACIVSA-N 0 1 400.363 4.029 20 0 HIADMN COc1ccc(Br)cc1[C@H]([NH2+]Cc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426747838 856452774 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O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000426965658 856567367 /nfs/dbraw/zinc/56/73/67/856567367.db2.gz VGOMRLGEIWLTBK-ZTQAJYAQSA-N 0 1 420.966 4.118 20 0 HIADMN Cc1cccc2nc(CCC(=O)N3CCO[C@H](c4cccc(C(F)(F)F)c4)C3)[nH]c21 ZINC000426968777 856569581 /nfs/dbraw/zinc/56/95/81/856569581.db2.gz OWDOQRXVOQJXMR-SFHVURJKSA-N 0 1 417.431 4.423 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)[nH]c21 ZINC000426987689 856580579 /nfs/dbraw/zinc/58/05/79/856580579.db2.gz VCTGPIVSGJEHFJ-UHFFFAOYSA-N 0 1 414.465 4.334 20 0 HIADMN O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2C(=O)c1ncccc1O ZINC000426989234 856581573 /nfs/dbraw/zinc/58/15/73/856581573.db2.gz ATVIJSDJZOLWCZ-UHFFFAOYSA-N 0 1 406.417 4.163 20 0 HIADMN CCc1c(C(=O)N[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)cnn1CCC(C)C ZINC000427027388 856602258 /nfs/dbraw/zinc/60/22/58/856602258.db2.gz NKGGWAYJIGATSK-LADGPHEKSA-N 0 1 424.589 4.208 20 0 HIADMN COc1ccccc1N1CC[C@@H](CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000427100227 856636398 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CN(C)Cc1ccsc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000447428510 871332261 /nfs/dbraw/zinc/33/22/61/871332261.db2.gz ONBQJDFHOPXUBG-QGZVFWFLSA-N 0 1 409.958 4.169 20 0 HIADMN Cc1sc(CC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)nc1C(C)C ZINC000447531961 871395850 /nfs/dbraw/zinc/39/58/50/871395850.db2.gz RPGLGCBBOHLLLF-KRWDZBQOSA-N 0 1 409.559 4.309 20 0 HIADMN O=S(=O)(NCc1cccc(F)c1)c1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000447544720 871411031 /nfs/dbraw/zinc/41/10/31/871411031.db2.gz PEFSLCWJNIXKLR-OAQYLSRUSA-N 0 1 414.502 4.064 20 0 HIADMN CCc1nc2c(s1)[C@@H](N[C@@H]1CCN(c3cccc(Br)c3)C1=O)CCC2 ZINC000447556091 871440703 /nfs/dbraw/zinc/44/07/03/871440703.db2.gz DXDGESXSWVDILL-GOEBONIOSA-N 0 1 420.376 4.241 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@@H]2CCCc3cc(F)ccc32)cc1C(F)(F)F ZINC000447558293 871447597 /nfs/dbraw/zinc/44/75/97/871447597.db2.gz NGQNPWSZAUVPAV-QGZVFWFLSA-N 0 1 401.425 4.415 20 0 HIADMN COc1ccccc1[C@H](N[C@H]1CCCN(c2ccnn2C)C1)c1ccccc1Cl ZINC000447567814 871464539 /nfs/dbraw/zinc/46/45/39/871464539.db2.gz FKEMZRYEOGIOQZ-GAJHUEQPSA-N 0 1 410.949 4.430 20 0 HIADMN CC(=O)Nc1ccc([C@@H](C)NCc2cnn(-c3ccc(Br)cc3)c2)cc1 ZINC000447580265 871481418 /nfs/dbraw/zinc/48/14/18/871481418.db2.gz PUPQELTVDOTSPY-CQSZACIVSA-N 0 1 413.319 4.444 20 0 HIADMN OC[C@@H](CN[C@@H](c1ccc(F)cc1)c1ccccn1)Cc1cc(F)c(F)c(F)c1 ZINC000447606374 871514130 /nfs/dbraw/zinc/51/41/30/871514130.db2.gz MAZALXVKSPHZBV-QRQCRPRQSA-N 0 1 404.407 4.168 20 0 HIADMN CN(C)[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)c1c(F)cccc1Cl ZINC000447723644 871668099 /nfs/dbraw/zinc/66/80/99/871668099.db2.gz QKSGTSCTBURWRI-IEBWSBKVSA-N 0 1 405.901 4.106 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)cccc21 ZINC000447725317 871670614 /nfs/dbraw/zinc/67/06/14/871670614.db2.gz ZXMDLKLKYPOLOT-CQSZACIVSA-N 0 1 402.907 4.429 20 0 HIADMN CC(C)c1noc(-c2ccccc2C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)n1 ZINC000447733309 871682689 /nfs/dbraw/zinc/68/26/89/871682689.db2.gz XTTKMCVJSVHAOI-LJQANCHMSA-N 0 1 406.486 4.498 20 0 HIADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000468523800 882536853 /nfs/dbraw/zinc/53/68/53/882536853.db2.gz SAWRLVQCCNXBMD-GFCCVEGCSA-N 0 1 401.937 4.276 20 0 HIADMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1OC ZINC000447783309 871715191 /nfs/dbraw/zinc/71/51/91/871715191.db2.gz OVORHLOHRPWRMW-UHFFFAOYSA-N 0 1 421.849 4.110 20 0 HIADMN CO[C@@H]1CCOc2c(NS(=O)(=O)c3cccc(Br)c3C)cccc21 ZINC000447784836 871717268 /nfs/dbraw/zinc/71/72/68/871717268.db2.gz GAFKHHALDBMAMR-OAHLLOKOSA-N 0 1 412.305 4.028 20 0 HIADMN CO[C@@H]1CCOc2c(NS(=O)(=O)c3ccc(C(F)(F)F)c(F)c3)cccc21 ZINC000447794803 871732674 /nfs/dbraw/zinc/73/26/74/871732674.db2.gz LJXANSJKZZRXJB-OAHLLOKOSA-N 0 1 405.369 4.115 20 0 HIADMN O=C(N[C@H]1CCCc2c(O)cccc21)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000447812727 871744704 /nfs/dbraw/zinc/74/47/04/871744704.db2.gz SKQWHYYRKQISMH-WFASDCNBSA-N 0 1 408.424 4.101 20 0 HIADMN Brc1cccc(-c2noc(CN=c3nc(-c4ccccc4)[nH]s3)n2)c1 ZINC000447813232 871745250 /nfs/dbraw/zinc/74/52/50/871745250.db2.gz QNKFYYYOTOPQEI-UHFFFAOYSA-N 0 1 414.288 4.052 20 0 HIADMN CCc1ccc([C@H](NC(=O)CN2CCCC[C@H]2C[C@H](C)O)c2cccs2)cc1 ZINC000447826761 871757373 /nfs/dbraw/zinc/75/73/73/871757373.db2.gz LTVLYVUNNRYZAT-NYDSKATKSA-N 0 1 400.588 4.142 20 0 HIADMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1nc(-c2ccccc2)c[nH]1 ZINC000447832303 871759924 /nfs/dbraw/zinc/75/99/24/871759924.db2.gz LVDPOAIIMKYFQP-SFHVURJKSA-N 0 1 403.530 4.184 20 0 HIADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000468526866 882545432 /nfs/dbraw/zinc/54/54/32/882545432.db2.gz FIGUZHKXLVWOJB-CYBMUJFWSA-N 0 1 408.907 4.344 20 0 HIADMN O=C1[C@@H](N[C@H](COc2ccccc2F)c2ccccc2)CCCN1CC(F)(F)F ZINC000447891497 871804258 /nfs/dbraw/zinc/80/42/58/871804258.db2.gz QVRRHBCZCDAWJH-ZWKOTPCHSA-N 0 1 410.411 4.089 20 0 HIADMN Cc1nc(-c2ccccc2)oc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000468529492 882549426 /nfs/dbraw/zinc/54/94/26/882549426.db2.gz PXAKARLVQOGELQ-QFIPXVFZSA-N 0 1 403.526 4.463 20 0 HIADMN O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccn4cncc4c3)no2)C1 ZINC000447950873 871821347 /nfs/dbraw/zinc/82/13/47/871821347.db2.gz CIMLSFOKMLEFHH-INIZCTEOSA-N 0 1 407.861 4.058 20 0 HIADMN CCn1c(SCc2nc(-c3ccn4cncc4c3)no2)nnc1-c1cccc(C)c1 ZINC000447958084 871823728 /nfs/dbraw/zinc/82/37/28/871823728.db2.gz DOSFDFNHAMPDSA-UHFFFAOYSA-N 0 1 417.498 4.263 20 0 HIADMN Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nc(-c4ccn5cncc5c4)no3)C2)c1 ZINC000447957493 871823835 /nfs/dbraw/zinc/82/38/35/871823835.db2.gz YXSIIUYSMVYHGX-GOSISDBHSA-N 0 1 401.470 4.021 20 0 HIADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c(OC)c1C ZINC000468530333 882552351 /nfs/dbraw/zinc/55/23/51/882552351.db2.gz SDFIMOTXCXENSG-CYBMUJFWSA-N 0 1 413.923 4.180 20 0 HIADMN CCNC(=O)C(C)(C)CN[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000448038622 871871503 /nfs/dbraw/zinc/87/15/03/871871503.db2.gz AHWGJVYTTSHVPD-LJQANCHMSA-N 0 1 401.938 4.080 20 0 HIADMN CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000448093556 871932450 /nfs/dbraw/zinc/93/24/50/871932450.db2.gz AOHZKOWLNKFRCD-GJZGRUSLSA-N 0 1 402.926 4.001 20 0 HIADMN CC(C)c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)s1 ZINC000448247305 872163109 /nfs/dbraw/zinc/16/31/09/872163109.db2.gz JWXINJYCIYQPSI-UHFFFAOYSA-N 0 1 412.481 4.289 20 0 HIADMN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000448254073 872176156 /nfs/dbraw/zinc/17/61/56/872176156.db2.gz CPODBNQWUZIYPM-JKSUJKDBSA-N 0 1 423.565 4.189 20 0 HIADMN CCCCn1ncc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1C ZINC000448295059 872228157 /nfs/dbraw/zinc/22/81/57/872228157.db2.gz XRSBNLVUKADBMC-UHFFFAOYSA-N 0 1 405.546 4.495 20 0 HIADMN CCCCn1ncc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1C ZINC000448303928 872235750 /nfs/dbraw/zinc/23/57/50/872235750.db2.gz VCIIZRGEKQLSCC-SFHVURJKSA-N 0 1 423.483 4.406 20 0 HIADMN O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000448331528 872269069 /nfs/dbraw/zinc/26/90/69/872269069.db2.gz IVJGHHQVOGTWST-UHFFFAOYSA-N 0 1 410.905 4.082 20 0 HIADMN O=C(C[C@H]1CCCN1C(=O)c1ccc(Nc2ccncc2)cc1)c1ccc(F)cc1 ZINC000448429525 872377788 /nfs/dbraw/zinc/37/77/88/872377788.db2.gz BLEHOPGIVZJFST-JOCHJYFZSA-N 0 1 403.457 4.264 20 0 HIADMN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000448489690 872475364 /nfs/dbraw/zinc/47/53/64/872475364.db2.gz ZEBTWCVZDUBYRC-OAQYLSRUSA-N 0 1 417.509 4.092 20 0 HIADMN C[C@H](CNC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)N1CCc2ccccc2C1 ZINC000460140443 872638235 /nfs/dbraw/zinc/63/82/35/872638235.db2.gz UUFMNZGYIXSUII-DYESRHJHSA-N 0 1 423.561 4.021 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)Nc3ccc(Cl)cc3OC(F)F)n2)cc1 ZINC000460251561 872840339 /nfs/dbraw/zinc/84/03/39/872840339.db2.gz NXPCVMNJRKSTDP-UHFFFAOYSA-N 0 1 423.807 4.057 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)Nc3ccc(Cl)cc3OC(F)F)n[nH]2)cc1 ZINC000460251561 872840347 /nfs/dbraw/zinc/84/03/47/872840347.db2.gz NXPCVMNJRKSTDP-UHFFFAOYSA-N 0 1 423.807 4.057 20 0 HIADMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000460254991 872844641 /nfs/dbraw/zinc/84/46/41/872844641.db2.gz XBLOQBFTQWAVNM-IUODEOHRSA-N 0 1 415.950 4.413 20 0 HIADMN CCn1c(Cc2ccsc2)nnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000460288623 872878562 /nfs/dbraw/zinc/87/85/62/872878562.db2.gz JTSXLSXAWQOBNA-UHFFFAOYSA-N 0 1 415.994 4.316 20 0 HIADMN OCCCN(Cc1nc2ccc(Br)cc2[nH]1)[C@H]1CCc2ccccc21 ZINC000460383360 873025178 /nfs/dbraw/zinc/02/51/78/873025178.db2.gz VXFZIMVMCYWXAY-IBGZPJMESA-N 0 1 400.320 4.197 20 0 HIADMN Cc1c(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cnn1-c1ccc(Cl)cc1 ZINC000460410618 873063798 /nfs/dbraw/zinc/06/37/98/873063798.db2.gz HKXMFGAHPUFLET-UHFFFAOYSA-N 0 1 413.833 4.236 20 0 HIADMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000460414132 873070877 /nfs/dbraw/zinc/07/08/77/873070877.db2.gz WKWZNGVAKPITRN-UHFFFAOYSA-N 0 1 423.437 4.302 20 0 HIADMN COCCN(C(=O)c1cccc2[nH]c(-c3cccs3)nc21)[C@H]1CCCSC1 ZINC000468594987 882684610 /nfs/dbraw/zinc/68/46/10/882684610.db2.gz CUDMZTXBTDCROR-AWEZNQCLSA-N 0 1 401.557 4.276 20 0 HIADMN C[C@@H](CNC(=O)c1ccc(CN2CCSCC2)cc1)Oc1cccc(Cl)c1 ZINC000460429987 873093837 /nfs/dbraw/zinc/09/38/37/873093837.db2.gz NZLMPXMIIMRNQH-INIZCTEOSA-N 0 1 404.963 4.086 20 0 HIADMN Cc1nc2ccc(CSc3nnc(CN4CCCC4)n3-c3ccccc3)cc2[nH]1 ZINC000460447769 873119268 /nfs/dbraw/zinc/11/92/68/873119268.db2.gz JUPUTZIQGXECRR-UHFFFAOYSA-N 0 1 404.543 4.340 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000468601655 882699535 /nfs/dbraw/zinc/69/95/35/882699535.db2.gz NCMRJXGCRKGWCT-UHFFFAOYSA-N 0 1 406.921 4.321 20 0 HIADMN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000468605558 882709364 /nfs/dbraw/zinc/70/93/64/882709364.db2.gz JZBQLTJPVDKIPQ-ZDUSSCGKSA-N 0 1 407.499 4.171 20 0 HIADMN Cc1cccnc1-c1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC(C)C ZINC000460602370 873343653 /nfs/dbraw/zinc/34/36/53/873343653.db2.gz CDKZRIYKDMAACD-FQEVSTJZSA-N 0 1 404.562 4.015 20 0 HIADMN Cc1cccnc1-c1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CC(C)C ZINC000460602370 873343667 /nfs/dbraw/zinc/34/36/67/873343667.db2.gz CDKZRIYKDMAACD-FQEVSTJZSA-N 0 1 404.562 4.015 20 0 HIADMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c1 ZINC000460822988 873705897 /nfs/dbraw/zinc/70/58/97/873705897.db2.gz HUWCVKDBIOVBJE-UHFFFAOYSA-N 0 1 414.483 4.309 20 0 HIADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1Cl ZINC000460825701 873710964 /nfs/dbraw/zinc/71/09/64/873710964.db2.gz ZCPYYVKKUFMINE-UHFFFAOYSA-N 0 1 424.689 4.243 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(NC(C)=O)c2)c(Cl)c1Cl ZINC000460840022 873730198 /nfs/dbraw/zinc/73/01/98/873730198.db2.gz MDBAXFSSVQTZAQ-UHFFFAOYSA-N 0 1 423.705 4.415 20 0 HIADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000460876848 873785395 /nfs/dbraw/zinc/78/53/95/873785395.db2.gz BLMMCNYWBUBKCP-KRWDZBQOSA-N 0 1 408.889 4.475 20 0 HIADMN Cc1cccnc1C(C)(C)CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000460878709 873788813 /nfs/dbraw/zinc/78/88/13/873788813.db2.gz FOJDEWFVYOQSHY-SFHVURJKSA-N 0 1 422.495 4.289 20 0 HIADMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)[nH]1 ZINC000460971185 873866840 /nfs/dbraw/zinc/86/68/40/873866840.db2.gz PINBJWDKXSIDNG-IAGOWNOFSA-N 0 1 404.470 4.109 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)[C@H](C)c1ccc(F)c(F)c1)N1CCCCC1 ZINC000460987462 873874980 /nfs/dbraw/zinc/87/49/80/873874980.db2.gz SWJMIHSJMGGTAL-IERDGZPVSA-N 0 1 402.485 4.420 20 0 HIADMN COc1ccc(SC)c(OC)c1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000461024518 873890919 /nfs/dbraw/zinc/89/09/19/873890919.db2.gz UCSKBVSAEDBSNS-GOSISDBHSA-N 0 1 414.571 4.162 20 0 HIADMN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)CCCCc1cn[nH]n1 ZINC000468645327 882779584 /nfs/dbraw/zinc/77/95/84/882779584.db2.gz MRUBDBVCFXMTCM-UHFFFAOYSA-N 0 1 411.893 4.370 20 0 HIADMN CC(C)(C)[C@@H]1C[C@H](NCc2ncc(Br)cc2Br)CCO1 ZINC000473989504 888851156 /nfs/dbraw/zinc/85/11/56/888851156.db2.gz PEWLPSYKIIJLTN-RISCZKNCSA-N 0 1 406.162 4.290 20 0 HIADMN Cc1cc(Cl)cnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000461206513 874207723 /nfs/dbraw/zinc/20/77/23/874207723.db2.gz HNYSYCBKJMVMRU-UHFFFAOYSA-N 0 1 419.865 4.236 20 0 HIADMN CCOc1ccc(S(=O)(=O)Nc2ncccc2CCCCOC)c2ccccc12 ZINC000461229274 874229262 /nfs/dbraw/zinc/22/92/62/874229262.db2.gz ZAXNIBIWUMODTQ-UHFFFAOYSA-N 0 1 414.527 4.403 20 0 HIADMN Cc1ccccc1[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)[C@@H](C)CO1 ZINC000461253258 874257472 /nfs/dbraw/zinc/25/74/72/874257472.db2.gz UTJWUFSRZOFNTJ-UGSOOPFHSA-N 0 1 414.303 4.236 20 0 HIADMN CC(C)C[C@H]1OCCC[C@@H]1NCc1ncc(Br)cc1Br ZINC000474017961 888871362 /nfs/dbraw/zinc/87/13/62/888871362.db2.gz CKEDBHIMMPMOQB-DZGCQCFKSA-N 0 1 406.162 4.290 20 0 HIADMN Cc1c2ccc(NS(=O)(=O)c3cccc(Cl)c3Br)cc2nn1C ZINC000461330429 874339818 /nfs/dbraw/zinc/33/98/18/874339818.db2.gz HCIWUWKSPRADGU-UHFFFAOYSA-N 0 1 414.712 4.098 20 0 HIADMN Cc1nn(C)c2cc(NS(=O)(=O)c3cccc(Cl)c3Br)ccc12 ZINC000461340588 874351572 /nfs/dbraw/zinc/35/15/72/874351572.db2.gz NDRVQFXVHBKDCN-UHFFFAOYSA-N 0 1 414.712 4.098 20 0 HIADMN Cc1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)cc2nn1C ZINC000461343966 874354587 /nfs/dbraw/zinc/35/45/87/874354587.db2.gz ZOPYXUFENDLQCB-UHFFFAOYSA-N 0 1 403.813 4.355 20 0 HIADMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)c2C1 ZINC000461443650 874498629 /nfs/dbraw/zinc/49/86/29/874498629.db2.gz KICMYHZWWJZEEB-TZYHBYERSA-N 0 1 419.573 4.224 20 0 HIADMN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Nc3ccncc3)cc2)c(C)c1 ZINC000468740271 882837572 /nfs/dbraw/zinc/83/75/72/882837572.db2.gz QBZDDZLCYHYYFJ-KRWDZBQOSA-N 0 1 402.498 4.336 20 0 HIADMN CCC(C)(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)cc1 ZINC000468741032 882838298 /nfs/dbraw/zinc/83/82/98/882838298.db2.gz WGMCQWAVUDTEMV-UHFFFAOYSA-N 0 1 420.531 4.015 20 0 HIADMN CCN1CCN(CC(=O)Nc2ccc(Sc3ccc(OC)cc3)c(Cl)c2)CC1 ZINC000468743890 882838971 /nfs/dbraw/zinc/83/89/71/882838971.db2.gz NSBJFHXTFLYWSX-UHFFFAOYSA-N 0 1 419.978 4.076 20 0 HIADMN O=C(CCN1CCN(c2ccccn2)CC1)Nc1cccc(COC2CCCCC2)c1 ZINC000468744949 882839746 /nfs/dbraw/zinc/83/97/46/882839746.db2.gz UDRYUNBERABVIM-UHFFFAOYSA-N 0 1 422.573 4.082 20 0 HIADMN Fc1ccc(CN2CCCN(c3nnc(C4CC4)n3Cc3cccs3)CC2)cc1 ZINC000461496892 874568651 /nfs/dbraw/zinc/56/86/51/874568651.db2.gz OIJFFVVZRYUGKC-UHFFFAOYSA-N 0 1 411.550 4.117 20 0 HIADMN COCCc1ccc(OCCCC(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1 ZINC000468758883 882846025 /nfs/dbraw/zinc/84/60/25/882846025.db2.gz ALEPKTVPYMDMSO-QFIPXVFZSA-N 0 1 412.530 4.058 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CCC(c4ncc5n4CCCC5)CC3)n[nH]2)cc1C ZINC000468773484 882853331 /nfs/dbraw/zinc/85/33/31/882853331.db2.gz AVIMJMZAPZVBER-UHFFFAOYSA-N 0 1 403.530 4.246 20 0 HIADMN C[C@H]1CC(=Cc2ccccc2)c2nc3ccccc3c(C(=O)NCCc3nc[nH]n3)c2C1 ZINC000461589956 874706512 /nfs/dbraw/zinc/70/65/12/874706512.db2.gz RCGVOGQHAPCVFK-BYFYWULKSA-N 0 1 423.520 4.448 20 0 HIADMN Cc1nnc(SCC(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)[nH]1 ZINC000468791894 882862047 /nfs/dbraw/zinc/86/20/47/882862047.db2.gz BWBCHPWVOGESFB-SFHVURJKSA-N 0 1 404.898 4.212 20 0 HIADMN Cc1n[nH]c(SCC(=O)N[C@@H](c2ccc(C)cc2)c2ccc(F)cc2Cl)n1 ZINC000468791894 882862049 /nfs/dbraw/zinc/86/20/49/882862049.db2.gz BWBCHPWVOGESFB-SFHVURJKSA-N 0 1 404.898 4.212 20 0 HIADMN Cc1c([C@H](C)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cnn1C(C)C ZINC000468813014 882872575 /nfs/dbraw/zinc/87/25/75/882872575.db2.gz CVYRYWPPVVKOIF-LBPRGKRZSA-N 0 1 403.328 4.171 20 0 HIADMN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000468809605 882870533 /nfs/dbraw/zinc/87/05/33/882870533.db2.gz DOBQQMUZSOOUJJ-UHFFFAOYSA-N 0 1 410.923 4.022 20 0 HIADMN Cc1c([C@H](C)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cnn1C(C)C ZINC000468813014 882872582 /nfs/dbraw/zinc/87/25/82/882872582.db2.gz CVYRYWPPVVKOIF-LBPRGKRZSA-N 0 1 403.328 4.171 20 0 HIADMN COc1cc2nc(-c3ccc4nc(-c5cscn5)[nH]c4c3)[nH]c(=O)c2cc1OC ZINC000461742344 874886469 /nfs/dbraw/zinc/88/64/69/874886469.db2.gz WWBQQUCZBRHSGL-UHFFFAOYSA-N 0 1 405.439 4.019 20 0 HIADMN CCc1c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000461763182 874896606 /nfs/dbraw/zinc/89/66/06/874896606.db2.gz PNJBDIGRUIZDCH-UHFFFAOYSA-N 0 1 423.904 4.260 20 0 HIADMN O=C(CCCCc1cn[nH]n1)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000468819819 882875777 /nfs/dbraw/zinc/87/57/77/882875777.db2.gz DJVLDXCMHUXNGS-UHFFFAOYSA-N 0 1 405.380 4.362 20 0 HIADMN CC[C@@H](C)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCCCO1 ZINC000461808394 874923180 /nfs/dbraw/zinc/92/31/80/874923180.db2.gz HFCDOQHTJSHUJV-SJBKTWHCSA-N 0 1 411.594 4.071 20 0 HIADMN CCC[C@@H](N[C@@H](C)c1cnn(C(C)(C)C)c1C)C(=O)N1CCc2sccc2C1 ZINC000468824193 882877356 /nfs/dbraw/zinc/87/73/56/882877356.db2.gz DNFFBHGQMACXCK-HNAYVOBHSA-N 0 1 402.608 4.412 20 0 HIADMN CCC[C@@H](N[C@H](C)c1cnn(C(C)(C)C)c1C)C(=O)N1CCc2sccc2C1 ZINC000468824063 882877393 /nfs/dbraw/zinc/87/73/93/882877393.db2.gz DNFFBHGQMACXCK-DNVCBOLYSA-N 0 1 402.608 4.412 20 0 HIADMN COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000461863769 875014163 /nfs/dbraw/zinc/01/41/63/875014163.db2.gz BPZYNYYTHXFTML-NRFANRHFSA-N 0 1 424.932 4.306 20 0 HIADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000461895730 875041168 /nfs/dbraw/zinc/04/11/68/875041168.db2.gz RDTPJADBAAVINU-UHFFFAOYSA-N 0 1 404.470 4.010 20 0 HIADMN COc1cccc(C2(CNC(=O)N3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000461986904 875106747 /nfs/dbraw/zinc/10/67/47/875106747.db2.gz YRFYCOZEPCXTSJ-FQEVSTJZSA-N 0 1 417.513 4.059 20 0 HIADMN COc1cccc(C2(CNC(=O)N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000461986904 875106756 /nfs/dbraw/zinc/10/67/56/875106756.db2.gz YRFYCOZEPCXTSJ-FQEVSTJZSA-N 0 1 417.513 4.059 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccco1 ZINC000462009190 875130001 /nfs/dbraw/zinc/13/00/01/875130001.db2.gz PQVQEVPJRFRSJE-PMACEKPBSA-N 0 1 413.566 4.351 20 0 HIADMN O=C1[C@H](NCc2csc(Br)c2)CCCN1Cc1ccc(F)cc1F ZINC000468867700 882898559 /nfs/dbraw/zinc/89/85/59/882898559.db2.gz GPQOZLOXFCBYDR-OAHLLOKOSA-N 0 1 415.303 4.070 20 0 HIADMN COc1ccc(Nc2nc(C(=O)N3CCCN(Cc4ccccc4)CC3)cs2)cc1 ZINC000462034662 875148732 /nfs/dbraw/zinc/14/87/32/875148732.db2.gz DVJIQBPSVPTYLS-UHFFFAOYSA-N 0 1 422.554 4.243 20 0 HIADMN Cc1cccc2nc(CNC(=O)c3c(Br)cccc3Br)[nH]c21 ZINC000462107711 875215045 /nfs/dbraw/zinc/21/50/45/875215045.db2.gz YRPNWJBEUOJSAB-UHFFFAOYSA-N 0 1 423.108 4.326 20 0 HIADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000462162026 875257237 /nfs/dbraw/zinc/25/72/37/875257237.db2.gz ZKJDZPWDHYSKRK-GCJKJVERSA-N 0 1 412.961 4.025 20 0 HIADMN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000462185740 875287763 /nfs/dbraw/zinc/28/77/63/875287763.db2.gz ZDJYSCPPUFVERD-FUHWJXTLSA-N 0 1 413.587 4.291 20 0 HIADMN CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000462191587 875299310 /nfs/dbraw/zinc/29/93/10/875299310.db2.gz NWAVJRXKSXUDOD-UHFFFAOYSA-N 0 1 423.648 4.335 20 0 HIADMN COCc1c(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)sc2cccc(F)c21 ZINC000462194208 875300211 /nfs/dbraw/zinc/30/02/11/875300211.db2.gz ZIWITTPAGYBTCK-DNVCBOLYSA-N 0 1 412.530 4.437 20 0 HIADMN Cc1nc(-c2cccnc2)nc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c1C ZINC000462198649 875306152 /nfs/dbraw/zinc/30/61/52/875306152.db2.gz KEIHIOJGVKQBRE-UHFFFAOYSA-N 0 1 407.949 4.885 20 0 HIADMN O=C(NCC(F)(F)c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000462227897 875336814 /nfs/dbraw/zinc/33/68/14/875336814.db2.gz MJKNEKPEDNPMJW-QGZVFWFLSA-N 0 1 411.456 4.153 20 0 HIADMN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC(c2noc(C3CC3)n2)CC1 ZINC000462231891 875342224 /nfs/dbraw/zinc/34/22/24/875342224.db2.gz YJTSYNXLDNXXCL-FQEVSTJZSA-N 0 1 413.562 4.172 20 0 HIADMN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000462271622 875399891 /nfs/dbraw/zinc/39/98/91/875399891.db2.gz WWNQBFZIMCFLLT-QAPCUYQASA-N 0 1 402.926 4.145 20 0 HIADMN CN1CCC[C@@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H]1c1cccs1 ZINC000462328076 875444831 /nfs/dbraw/zinc/44/48/31/875444831.db2.gz QOXXSFQFBLSOCN-SJCJKPOMSA-N 0 1 419.399 4.416 20 0 HIADMN CN1CCC[C@@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)[C@H]1c1cccs1 ZINC000462327467 875445194 /nfs/dbraw/zinc/44/51/94/875445194.db2.gz OPPWMZWABAGYOX-GUYCJALGSA-N 0 1 418.506 4.128 20 0 HIADMN C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@@H]1C ZINC000462358214 875471457 /nfs/dbraw/zinc/47/14/57/875471457.db2.gz VVACSXWDIRKDAO-PZPFTHLGSA-N 0 1 424.545 4.032 20 0 HIADMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000468891149 882936138 /nfs/dbraw/zinc/93/61/38/882936138.db2.gz GPPVUJQIGRWDOS-FOIQADDNSA-N 0 1 407.518 4.348 20 0 HIADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000462367475 875479180 /nfs/dbraw/zinc/47/91/80/875479180.db2.gz CKWCCQHDQURCML-KRWDZBQOSA-N 0 1 418.607 4.317 20 0 HIADMN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000462367475 875479183 /nfs/dbraw/zinc/47/91/83/875479183.db2.gz CKWCCQHDQURCML-KRWDZBQOSA-N 0 1 418.607 4.317 20 0 HIADMN CC(C)[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)c2C1 ZINC000462371192 875484393 /nfs/dbraw/zinc/48/43/93/875484393.db2.gz PVJLVDOWAYNFHA-SFHVURJKSA-N 0 1 424.570 4.092 20 0 HIADMN CC(C)[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)c2C1 ZINC000462371192 875484404 /nfs/dbraw/zinc/48/44/04/875484404.db2.gz PVJLVDOWAYNFHA-SFHVURJKSA-N 0 1 424.570 4.092 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1C(N)=O ZINC000462381970 875495002 /nfs/dbraw/zinc/49/50/02/875495002.db2.gz UEUREDLQLQZNQC-UHFFFAOYSA-N 0 1 417.490 4.110 20 0 HIADMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000468891480 882935285 /nfs/dbraw/zinc/93/52/85/882935285.db2.gz GPPVUJQIGRWDOS-QRWLVFNGSA-N 0 1 407.518 4.348 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)c3cnc(OCC4CC4)c(Cl)c3)cccc21 ZINC000468893642 882940112 /nfs/dbraw/zinc/94/01/12/882940112.db2.gz GXNKPIGRHMWECJ-SFHVURJKSA-N 0 1 401.894 4.161 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2sc(C(F)(F)F)nc2C)c1 ZINC000462463584 875570613 /nfs/dbraw/zinc/57/06/13/875570613.db2.gz IHBWTHSLRYYIGJ-UHFFFAOYSA-N 0 1 414.453 4.003 20 0 HIADMN COc1cccc(Cl)c1CC(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000462488563 875598046 /nfs/dbraw/zinc/59/80/46/875598046.db2.gz WPYDGLRCCJEXAG-UHFFFAOYSA-N 0 1 404.963 4.387 20 0 HIADMN Brc1cc2c(c(CNCc3cnc(-c4ccncc4)s3)c1)OCC2 ZINC000462521360 875638360 /nfs/dbraw/zinc/63/83/60/875638360.db2.gz BMGMJOSOOMTGJM-UHFFFAOYSA-N 0 1 402.317 4.192 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000462520294 875638412 /nfs/dbraw/zinc/63/84/12/875638412.db2.gz GSGNYLXQPGIXMG-PKTZIBPZSA-N 0 1 411.521 4.010 20 0 HIADMN CC[C@@H](NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)c1cccs1 ZINC000462522255 875640403 /nfs/dbraw/zinc/64/04/03/875640403.db2.gz BLXYMLNYWQYRFA-SNVBAGLBSA-N 0 1 408.879 4.068 20 0 HIADMN CCCOc1cc(CNCc2cc(Br)cc3c2OCC3)ccc1OC ZINC000462526422 875644174 /nfs/dbraw/zinc/64/41/74/875644174.db2.gz OOHLGJSTXGDLDV-UHFFFAOYSA-N 0 1 406.320 4.471 20 0 HIADMN O=S1(=O)CCCN1c1cccc(CNCc2ccccc2OCc2ccccc2)c1 ZINC000462547084 875669270 /nfs/dbraw/zinc/66/92/70/875669270.db2.gz HPKWHXPKRQCWSG-UHFFFAOYSA-N 0 1 422.550 4.095 20 0 HIADMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000462663506 875765504 /nfs/dbraw/zinc/76/55/04/875765504.db2.gz VCKAVHLCMOFNMH-ZETCQYMHSA-N 0 1 412.726 4.367 20 0 HIADMN C[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000462662854 875766213 /nfs/dbraw/zinc/76/62/13/875766213.db2.gz YRXQCOBGXVAQHG-SSDOTTSWSA-N 0 1 422.290 4.284 20 0 HIADMN CCOc1cc(CN[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)ccc1OC ZINC000462732535 875807412 /nfs/dbraw/zinc/80/74/12/875807412.db2.gz BATSWFHBJDTEMA-QHCPKHFHSA-N 0 1 418.537 4.458 20 0 HIADMN Cc1cc(NC(=O)CNCc2ccc(OCC(F)F)cc2)ccc1Br ZINC000462740147 875811536 /nfs/dbraw/zinc/81/15/36/875811536.db2.gz AUEJSWYUGZMDQW-UHFFFAOYSA-N 0 1 413.262 4.130 20 0 HIADMN O[C@@H](C(F)F)[C@H](Cc1ccccc1)NCc1ccc(Br)cc1Cl ZINC000462743111 875813070 /nfs/dbraw/zinc/81/30/70/875813070.db2.gz HKNUWPLZIOFSSM-JKSUJKDBSA-N 0 1 404.682 4.429 20 0 HIADMN C[C@H](N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1csc(-c2ccccc2F)n1 ZINC000462799351 875848959 /nfs/dbraw/zinc/84/89/59/875848959.db2.gz SXUUTTOKFGYXIA-WMZOPIPTSA-N 0 1 409.530 4.443 20 0 HIADMN Cn1cc(CN2Cc3ccc(O)cc3C3(CC3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000462831161 875865944 /nfs/dbraw/zinc/86/59/44/875865944.db2.gz COLMBYOJUYQIDB-UHFFFAOYSA-N 0 1 417.509 4.001 20 0 HIADMN C[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1ccccc1OCc1ccccc1 ZINC000462834091 875868745 /nfs/dbraw/zinc/86/87/45/875868745.db2.gz OBJYZTYHVYTCMR-IBGZPJMESA-N 0 1 421.516 4.487 20 0 HIADMN C[C@H](NCc1cc(Br)cc2c1OCC2)c1cccc(N2CCOCC2)c1 ZINC000462834487 875868816 /nfs/dbraw/zinc/86/88/16/875868816.db2.gz AMNNQKKBODSKTL-HNNXBMFYSA-N 0 1 417.347 4.071 20 0 HIADMN Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc4c(c3)COC4)C2=O)ccc1Br ZINC000462838576 875874033 /nfs/dbraw/zinc/87/40/33/875874033.db2.gz KKMULPIVIWEKTK-XOBRGWDASA-N 0 1 415.331 4.244 20 0 HIADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3c(C)cc(Cl)c4ccccc43)C2)CC1 ZINC000462854158 875888521 /nfs/dbraw/zinc/88/85/21/875888521.db2.gz KXHGQHWQZARQFY-QGZVFWFLSA-N 0 1 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O=C(NCCc1nnc(-c2ccccc2)[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000463367974 876423621 /nfs/dbraw/zinc/42/36/21/876423621.db2.gz MDRIOYTXFDYYQF-LSDHHAIUSA-N 0 1 401.297 4.241 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000463372266 876428174 /nfs/dbraw/zinc/42/81/74/876428174.db2.gz RULYVPIJYOLAPQ-SJORKVTESA-N 0 1 401.297 4.241 20 0 HIADMN O=S1(=O)NC(CN2CCC(c3cccc(Cl)c3Cl)CC2)=Nc2ccccc21 ZINC000463376666 876431059 /nfs/dbraw/zinc/43/10/59/876431059.db2.gz QVIRFKUBFGPFHD-UHFFFAOYSA-N 0 1 424.353 4.195 20 0 HIADMN Cc1ccc(-n2ncc(C(=O)NCCc3nnc(-c4ccccc4)[nH]3)c2C(C)C)cc1 ZINC000463381499 876436635 /nfs/dbraw/zinc/43/66/35/876436635.db2.gz MQSSIHUFSCWDGW-UHFFFAOYSA-N 0 1 414.513 4.062 20 0 HIADMN Cc1cccc2nc(CNC(=O)N(C)CCc3cccc(Br)c3)[nH]c21 ZINC000463401138 876454460 /nfs/dbraw/zinc/45/44/60/876454460.db2.gz BKTZYWSXOPPSAP-UHFFFAOYSA-N 0 1 401.308 4.018 20 0 HIADMN Cc1c([C@H](C)NCc2n[nH]c(-c3ccc(Br)cc3)n2)cnn1C(C)(C)C ZINC000468964708 883030651 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C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463454246 876514166 /nfs/dbraw/zinc/51/41/66/876514166.db2.gz NAEKAQPOGOHLTF-CYFREDJKSA-N 0 1 414.977 4.177 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)N2CCCC2)c1 ZINC000463499905 876558875 /nfs/dbraw/zinc/55/88/75/876558875.db2.gz NISUWEMAUQXDSA-UEXGIBASSA-N 0 1 418.459 4.169 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)N2CCCC2)c1 ZINC000463499906 876559070 /nfs/dbraw/zinc/55/90/70/876559070.db2.gz NISUWEMAUQXDSA-WFXMLNOXSA-N 0 1 418.459 4.169 20 0 HIADMN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000463507593 876569021 /nfs/dbraw/zinc/56/90/21/876569021.db2.gz QEOKWTFISWFDLN-UHFFFAOYSA-N 0 1 403.542 4.148 20 0 HIADMN CCNC(=O)Nc1cccc(NC(=O)c2cn[nH]c2-c2cccc(OC(F)F)c2)c1 ZINC000463507781 876569817 /nfs/dbraw/zinc/56/98/17/876569817.db2.gz SGGAUEQPTXNYET-UHFFFAOYSA-N 0 1 415.400 4.072 20 0 HIADMN Cc1nn(C)c(Sc2ccccc2)c1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000463527198 876599905 /nfs/dbraw/zinc/59/99/05/876599905.db2.gz RBTTXQUZJDUHKF-LJQANCHMSA-N 0 1 412.534 4.052 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3ccc(NC(=O)C4CC4)cc3)[nH]c2c1 ZINC000463577083 876674572 /nfs/dbraw/zinc/67/45/72/876674572.db2.gz QBHKECWSFYKEEF-OAQYLSRUSA-N 0 1 402.498 4.126 20 0 HIADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000463579825 876678014 /nfs/dbraw/zinc/67/80/14/876678014.db2.gz WKXCWHQGJQOQJD-IBGZPJMESA-N 0 1 409.396 4.131 20 0 HIADMN CCCc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C(F)(F)F)ccn1 ZINC000463589528 876695714 /nfs/dbraw/zinc/69/57/14/876695714.db2.gz ZLTWXGDTAHHZNP-UHFFFAOYSA-N 0 1 406.452 4.057 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C)N2CCCC2)o1 ZINC000463595118 876706311 /nfs/dbraw/zinc/70/63/11/876706311.db2.gz WNSLQWNTGUHBQX-HXUWFJFHSA-N 0 1 412.921 4.302 20 0 HIADMN CN1CCCN(C(=O)c2ccccc2NC(=O)CCCc2ccccc2Cl)CC1 ZINC000463603883 876722793 /nfs/dbraw/zinc/72/27/93/876722793.db2.gz GSKQVLXBOOMXOE-UHFFFAOYSA-N 0 1 413.949 4.079 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CC(C)c1cc(C(=O)Nc2nnc(-c3cc(Br)ccc3F)s2)on1 ZINC000504925695 913663086 /nfs/dbraw/zinc/66/30/86/913663086.db2.gz VMVWRBNTEPQLDZ-UHFFFAOYSA-N 0 1 411.256 4.470 20 0 HIADMN C[C@H](C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cn(C)c2ccccc12 ZINC000477502574 892509247 /nfs/dbraw/zinc/50/92/47/892509247.db2.gz WBZAGGNHLOYTOI-PKOBYXMFSA-N 0 1 413.525 4.473 20 0 HIADMN COC(=O)[C@@H](Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000477521979 892541778 /nfs/dbraw/zinc/54/17/78/892541778.db2.gz HNEFOOIGXCDNFH-KRWDZBQOSA-N 0 1 408.285 4.239 20 0 HIADMN C[C@@H](CNC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)C(F)(F)F ZINC000477524071 892546469 /nfs/dbraw/zinc/54/64/69/892546469.db2.gz LLUBHEHLEJXKIY-ZDUSSCGKSA-N 0 1 411.390 4.121 20 0 HIADMN CC[C@@H](C)n1ncc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)c1C1CC1 ZINC000477564851 892620252 /nfs/dbraw/zinc/62/02/52/892620252.db2.gz BJODRDWKRISSNJ-LLVKDONJSA-N 0 1 410.927 4.009 20 0 HIADMN CC(C)c1cccc(CNC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000477594848 892672067 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LNUNFXLFPDHSQM-DLBZAZTESA-N 0 1 412.496 4.034 20 0 HIADMN CC(C)Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000478558816 893848156 /nfs/dbraw/zinc/84/81/56/893848156.db2.gz JNPMKEZZHLOGEO-MGPUTAFESA-N 0 1 404.917 4.117 20 0 HIADMN CC(C)Nc1ccc(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000478558816 893848157 /nfs/dbraw/zinc/84/81/57/893848157.db2.gz JNPMKEZZHLOGEO-MGPUTAFESA-N 0 1 404.917 4.117 20 0 HIADMN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)CCc1nc[nH]n1 ZINC000478600887 893867766 /nfs/dbraw/zinc/86/77/66/893867766.db2.gz VCEMMVKKYANTAB-UHFFFAOYSA-N 0 1 405.713 4.015 20 0 HIADMN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N(C)C[C@H](C)c2nn[nH]n2)c1 ZINC000478603136 893869114 /nfs/dbraw/zinc/86/91/14/893869114.db2.gz QELGUDMCCFAOBK-ZDUSSCGKSA-N 0 1 401.923 4.188 20 0 HIADMN CCC(CC)(C(=O)N1CCCN(CCOC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000505097608 913815365 /nfs/dbraw/zinc/81/53/65/913815365.db2.gz FHWDMAWWNUMGEO-UHFFFAOYSA-N 0 1 401.378 4.232 20 0 HIADMN 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Cn1cc([C@H](NCCOc2cccc(Br)c2)c2ccc(F)cc2)cn1 ZINC000481443120 896841667 /nfs/dbraw/zinc/84/16/67/896841667.db2.gz YMLRBYJKUCHIJK-LJQANCHMSA-N 0 1 404.283 4.080 20 0 HIADMN CC[C@H](C(=O)Nc1ccc2nc(NC(=O)c3ccc(C)s3)sc2c1)N(C)C ZINC000481508575 896878715 /nfs/dbraw/zinc/87/87/15/896878715.db2.gz KTJOQQMIQUVZMT-CQSZACIVSA-N 0 1 402.545 4.197 20 0 HIADMN COc1ccc(F)cc1CC(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000481514878 896881962 /nfs/dbraw/zinc/88/19/62/896881962.db2.gz BVVYRAXPQXEQAC-UHFFFAOYSA-N 0 1 402.429 4.468 20 0 HIADMN COc1ccc2c(c1)[C@@H](NCc1cc3c(c(Br)c1)OCO3)CCCO2 ZINC000481550952 896917118 /nfs/dbraw/zinc/91/71/18/896917118.db2.gz FISDNAHFZKFEQT-INIZCTEOSA-N 0 1 406.276 4.190 20 0 HIADMN COc1ccc([C@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1Br ZINC000481551198 896917947 /nfs/dbraw/zinc/91/79/47/896917947.db2.gz ZDMUZOKCBRARKC-KSSFIOAISA-N 0 1 405.336 4.328 20 0 HIADMN Cc1cc2c(cc1C)[C@H](NCc1cccc(C(=O)NC[C@H]3CCCO3)c1)CCCO2 ZINC000481551436 896919817 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CCc1ccc([C@H](NCc2ccc(CO)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000486222045 901405447 /nfs/dbraw/zinc/40/54/47/901405447.db2.gz MOYNQPMZODEPOM-DEOSSOPVSA-N 0 1 409.551 4.024 20 0 HIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(=O)NC(C)(C)CC)cc2)n[nH]1 ZINC000486240151 901421773 /nfs/dbraw/zinc/42/17/73/901421773.db2.gz HDDPGUYSXQKYMB-KGLIPLIRSA-N 0 1 400.527 4.119 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](C)c3c(F)cccc3F)CCN2C2CC2)c1 ZINC000486241169 901423757 /nfs/dbraw/zinc/42/37/57/901423757.db2.gz BQAUEQWPGOQPSP-JEWAVWJGSA-N 0 1 415.484 4.312 20 0 HIADMN CCCc1nc(C)c(NC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)s1 ZINC000486323286 901500943 /nfs/dbraw/zinc/50/09/43/901500943.db2.gz UZYITAMIVSJRGI-KRWDZBQOSA-N 0 1 402.564 4.371 20 0 HIADMN CN(C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000486417816 901576558 /nfs/dbraw/zinc/57/65/58/901576558.db2.gz IEOXTVYGXFYARQ-IBGZPJMESA-N 0 1 407.514 4.169 20 0 HIADMN O=C(Cc1[nH]nc2ccccc21)N[C@H](Cc1cccc(Br)c1)CC1CC1 ZINC000505912342 914555840 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921276541 /nfs/dbraw/zinc/27/65/41/921276541.db2.gz QXLCYEIWRJRLPF-UYAOXDASSA-N 0 1 404.411 4.438 20 0 HIADMN O=C(NCc1ccc(F)c(F)c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512654756 921276590 /nfs/dbraw/zinc/27/65/90/921276590.db2.gz OLSCVBHZUKQYFY-MRXNPFEDSA-N 0 1 413.390 4.057 20 0 HIADMN COc1cccc(COc2cccc(Cl)c2CN2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000512669649 921282143 /nfs/dbraw/zinc/28/21/43/921282143.db2.gz WPMQSHMUUDGAPQ-KRWDZBQOSA-N 0 1 416.949 4.405 20 0 HIADMN C[C@H](NC(=O)NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)c1nnc[nH]1 ZINC000497506855 906996406 /nfs/dbraw/zinc/99/64/06/906996406.db2.gz RCMOERXQAJYDPP-NSHDSACASA-N 0 1 406.273 4.464 20 0 HIADMN COc1cc(CN(C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)ccc1SC ZINC000512705484 921292931 /nfs/dbraw/zinc/29/29/31/921292931.db2.gz KTEQFBXEZLTRNC-UHFFFAOYSA-N 0 1 411.527 4.210 20 0 HIADMN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1CN1CCC(O)CC1 ZINC000497620607 907098757 /nfs/dbraw/zinc/09/87/57/907098757.db2.gz ZWBFFNOMYOYROI-UHFFFAOYSA-N 0 1 404.510 4.059 20 0 HIADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000497619313 907098830 /nfs/dbraw/zinc/09/88/30/907098830.db2.gz JTPUOFWELGIONY-UHFFFAOYSA-N 0 1 419.500 4.460 20 0 HIADMN O=C(Nc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000497623565 907102899 /nfs/dbraw/zinc/10/28/99/907102899.db2.gz WQANURHAFBEAJR-RTBURBONSA-N 0 1 418.459 4.404 20 0 HIADMN O=C(CCCc1nc2ccccc2s1)Nc1ccccc1CN1CCC(O)CC1 ZINC000497629757 907111058 /nfs/dbraw/zinc/11/10/58/907111058.db2.gz XWQDFAYZLYMEIO-UHFFFAOYSA-N 0 1 409.555 4.214 20 0 HIADMN COc1ccc(C)cc1NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512724345 921296794 /nfs/dbraw/zinc/29/67/94/921296794.db2.gz FDNGVGDNTJUMDY-KRWDZBQOSA-N 0 1 407.436 4.418 20 0 HIADMN COCc1cccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000512731754 921298500 /nfs/dbraw/zinc/29/85/00/921298500.db2.gz VJQZDHAXPPDHRB-IBGZPJMESA-N 0 1 407.436 4.248 20 0 HIADMN COc1cccc([C@H](CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)N2CCCC2)c1 ZINC000497704077 907207288 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20 0 HIADMN CCN(CC)[C@H](C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000497806686 907291796 /nfs/dbraw/zinc/29/17/96/907291796.db2.gz BYAWKCUXWGXGNZ-JTSKRJEESA-N 0 1 408.546 4.231 20 0 HIADMN CC(C)[C@@H](NCc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(F)cn1 ZINC000497831032 907312800 /nfs/dbraw/zinc/31/28/00/907312800.db2.gz GRMYNPXGUAFRFS-JOCHJYFZSA-N 0 1 407.493 4.424 20 0 HIADMN CC1(C)CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000497837063 907318893 /nfs/dbraw/zinc/31/88/93/907318893.db2.gz RQNAYUQHJMRWMS-MAUKXSAKSA-N 0 1 407.436 4.227 20 0 HIADMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000512818997 921322308 /nfs/dbraw/zinc/32/23/08/921322308.db2.gz BGRAZLUWZGIUSK-VBKZILBWSA-N 0 1 421.476 4.022 20 0 HIADMN Cc1cccc2[nH]c(CNC(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)nc21 ZINC000497963831 907432304 /nfs/dbraw/zinc/43/23/04/907432304.db2.gz FEEQRQSXVAOQAQ-IBGZPJMESA-N 0 1 411.937 4.161 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2sc(C(C)(C)C)nc2C)N2CCCC2)cc1 ZINC000497971355 907442347 /nfs/dbraw/zinc/44/23/47/907442347.db2.gz LMLITRGTTYKCIH-GOSISDBHSA-N 0 1 401.576 4.325 20 0 HIADMN Cc1cccc2nc(CNC(=O)N[C@@H](C)Cc3ccccc3Br)[nH]c21 ZINC000497980627 907456470 /nfs/dbraw/zinc/45/64/70/907456470.db2.gz ASIGUUKZVZZPKR-ZDUSSCGKSA-N 0 1 401.308 4.064 20 0 HIADMN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc(-c3nccc(C)n3)c2)c1 ZINC000498007448 907497904 /nfs/dbraw/zinc/49/79/04/907497904.db2.gz KQVCLBOLSJDWLU-UHFFFAOYSA-N 0 1 418.316 4.324 20 0 HIADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c1 ZINC000498020224 907517673 /nfs/dbraw/zinc/51/76/73/907517673.db2.gz IHGVASJCFMIFLN-UHFFFAOYSA-N 0 1 420.288 4.141 20 0 HIADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000498026639 907526286 /nfs/dbraw/zinc/52/62/86/907526286.db2.gz QBQFZLVTPQRVDF-UHFFFAOYSA-N 0 1 419.890 4.364 20 0 HIADMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000498030587 907533457 /nfs/dbraw/zinc/53/34/57/907533457.db2.gz IYQKPIGKKVXKRF-UHFFFAOYSA-N 0 1 411.321 4.153 20 0 HIADMN CCOc1ccc(C(=O)CCC(=O)NC[C@@H](CC)N2CCc3ccccc3C2)cc1 ZINC000498033639 907538170 /nfs/dbraw/zinc/53/81/70/907538170.db2.gz NFOLSCXQHQZCFD-JOCHJYFZSA-N 0 1 408.542 4.001 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCCC1 ZINC000498036281 907541435 /nfs/dbraw/zinc/54/14/35/907541435.db2.gz PQDQYGHXLNNEES-ZVDOUQERSA-N 0 1 400.469 4.030 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)N2CCCC2)c1 ZINC000498048049 907557554 /nfs/dbraw/zinc/55/75/54/907557554.db2.gz PAPVUTDSXOUNOT-SJBKTWHCSA-N 0 1 400.469 4.030 20 0 HIADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)N1CC[C@H]1c1ccccc1 ZINC000512835511 921338651 /nfs/dbraw/zinc/33/86/51/921338651.db2.gz VPBUFFHTUFEFAQ-PMACEKPBSA-N 0 1 403.448 4.436 20 0 HIADMN Cn1cccc1[C@@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000512843498 921345538 /nfs/dbraw/zinc/34/55/38/921345538.db2.gz DSVKHOWYMRZTAF-ICSRJNTNSA-N 0 1 420.479 4.165 20 0 HIADMN O=C(c1c(Cl)cncc1Cl)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000498179657 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Cc1ccc(O[C@H](C)C(=O)NCc2nc3cccc(C)c3[nH]2)c(Br)c1 ZINC000498405937 907885300 /nfs/dbraw/zinc/88/53/00/907885300.db2.gz KSNQRKCLLURDFO-CYBMUJFWSA-N 0 1 402.292 4.026 20 0 HIADMN Cc1cccc2nc(CNC(=O)C3CCN(c4nc5ccccc5s4)CC3)[nH]c21 ZINC000498420899 907893336 /nfs/dbraw/zinc/89/33/36/907893336.db2.gz QYIIHNAAVVITNT-UHFFFAOYSA-N 0 1 405.527 4.014 20 0 HIADMN C[C@](CO)(NCc1cccc(OC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000512857777 921361760 /nfs/dbraw/zinc/36/17/60/921361760.db2.gz SWQYVBDPVOEGRF-MRXNPFEDSA-N 0 1 404.226 4.345 20 0 HIADMN Cc1cccc2nc(CNC(=O)C(=O)Nc3cc(F)ccc3Oc3ccccc3)[nH]c21 ZINC000498458652 907922645 /nfs/dbraw/zinc/92/26/45/907922645.db2.gz PULFWPHQXUYDBP-UHFFFAOYSA-N 0 1 418.428 4.058 20 0 HIADMN Cc1cc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1S(C)(=O)=O ZINC000498488768 907960519 /nfs/dbraw/zinc/96/05/19/907960519.db2.gz VNUPKDJMTLNUID-UHFFFAOYSA-N 0 1 409.916 4.006 20 0 HIADMN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3-c3nnc[nH]3)c12 ZINC000512866157 921367543 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406.486 4.244 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H](C)Oc2ccccc2F)CC1 ZINC000498680421 908109870 /nfs/dbraw/zinc/10/98/70/908109870.db2.gz JOAMEOKOJMWDHE-HNNXBMFYSA-N 0 1 405.901 4.027 20 0 HIADMN COc1cccc(C2CCN([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2)c1 ZINC000498693527 908121773 /nfs/dbraw/zinc/12/17/73/908121773.db2.gz JNISIGNNCBMNBY-GOSISDBHSA-N 0 1 405.542 4.103 20 0 HIADMN C[C@@H]1CCN(C)CCN1C(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 ZINC000498707354 908132638 /nfs/dbraw/zinc/13/26/38/908132638.db2.gz OBVSMUUPKOUPPB-UZLBHIALSA-N 0 1 417.347 4.122 20 0 HIADMN C[C@@H]1CCN(C)CCN1C(=O)[C@H](Oc1ccccc1Br)c1ccccc1 ZINC000498707353 908132808 /nfs/dbraw/zinc/13/28/08/908132808.db2.gz OBVSMUUPKOUPPB-OXQOHEQNSA-N 0 1 417.347 4.122 20 0 HIADMN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCN(C)CC[C@H]3C)cc12 ZINC000498710061 908137007 /nfs/dbraw/zinc/13/70/07/908137007.db2.gz NGLQRBFLZOPNDB-CYBMUJFWSA-N 0 1 402.951 4.215 20 0 HIADMN COCCN(Cc1ccccn1)C(=O)c1cccc(CN(C)Cc2ccccc2)c1 ZINC000498724683 908151723 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ZINC000498890090 908295231 /nfs/dbraw/zinc/29/52/31/908295231.db2.gz HXZIBFSCLLQKCC-LJQANCHMSA-N 0 1 406.555 4.298 20 0 HIADMN Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000498895258 908301277 /nfs/dbraw/zinc/30/12/77/908301277.db2.gz XDQCFOXUCHBTSP-IBGZPJMESA-N 0 1 414.509 4.241 20 0 HIADMN C[C@H](Cc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498896055 908301405 /nfs/dbraw/zinc/30/14/05/908301405.db2.gz RPEWNWORSJEDTL-CZUORRHYSA-N 0 1 417.351 4.029 20 0 HIADMN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498895894 908301767 /nfs/dbraw/zinc/30/17/67/908301767.db2.gz YLJBIYCGPPVGPU-FVQBIDKESA-N 0 1 404.436 4.211 20 0 HIADMN O=C(c1ccc(Br)cc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498898285 908303378 /nfs/dbraw/zinc/30/33/78/908303378.db2.gz YYGILSQMIQAHRC-NSHDSACASA-N 0 1 409.715 4.118 20 0 HIADMN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498897625 908303451 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C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498930770 908340761 /nfs/dbraw/zinc/34/07/61/908340761.db2.gz WABNXWOLJLXGLF-YPMHNXCESA-N 0 1 408.333 4.196 20 0 HIADMN CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000499024161 908398863 /nfs/dbraw/zinc/39/88/63/908398863.db2.gz VXBGHZQRVKIQSD-HXUWFJFHSA-N 0 1 415.628 4.245 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cnc2c(F)cccc2c1 ZINC000499025103 908400552 /nfs/dbraw/zinc/40/05/52/908400552.db2.gz GVJSPGNLXPHBMD-QGZVFWFLSA-N 0 1 415.350 4.030 20 0 HIADMN COc1cc(Cl)cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000499033904 908408212 /nfs/dbraw/zinc/40/82/12/908408212.db2.gz WXBSJKCHPDGGEW-OAHLLOKOSA-N 0 1 410.783 4.005 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)CN(Cc3cccc(O)c3)CC3CC3)ccc2c1 ZINC000499075329 908440636 /nfs/dbraw/zinc/44/06/36/908440636.db2.gz YATWLXVDFWAYDE-UHFFFAOYSA-N 0 1 418.537 4.425 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cccc([C@@H]3CCCOC3)c2)N2CCCC2)cc1 ZINC000499135960 908490964 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C[C@@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000539251199 938826112 /nfs/dbraw/zinc/82/61/12/938826112.db2.gz KQQQSRSLOAHONG-CYBMUJFWSA-N 0 1 405.420 4.343 20 0 HIADMN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1ccccc1OC(F)F ZINC000539251968 938826545 /nfs/dbraw/zinc/82/65/45/938826545.db2.gz GUJAYBPCJHGXOC-FZKQIMNGSA-N 0 1 405.445 4.314 20 0 HIADMN COc1cc([C@H](C)NCC(=O)NCc2ccc(F)cc2)ccc1OC1CCCC1 ZINC000539254233 938827030 /nfs/dbraw/zinc/82/70/30/938827030.db2.gz UKITZLOCPYPHHO-INIZCTEOSA-N 0 1 400.494 4.123 20 0 HIADMN CC[C@H](NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)c1ccccc1OC(F)F ZINC000539253539 938827189 /nfs/dbraw/zinc/82/71/89/938827189.db2.gz XBKUJGZSFYFBNT-ICSRJNTNSA-N 0 1 422.447 4.068 20 0 HIADMN C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(Oc2ccccc2)cc1 ZINC000539256991 938827992 /nfs/dbraw/zinc/82/79/92/938827992.db2.gz NJLAFCDKQIEMQR-INIZCTEOSA-N 0 1 407.495 4.152 20 0 HIADMN COc1cc([C@H](C)NCC(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccncc1 ZINC000539256422 938827999 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Cc1ccc(S(=O)(=O)c2ccc(CN[C@H](CCCO)c3ccccc3)cc2)cc1 ZINC000539294232 938835224 /nfs/dbraw/zinc/83/52/24/938835224.db2.gz ZIGFNDYWVDRRQW-XMMPIXPASA-N 0 1 409.551 4.431 20 0 HIADMN COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000539298675 938836400 /nfs/dbraw/zinc/83/64/00/938836400.db2.gz KCCBNCKIFRSMPO-DLBZAZTESA-N 0 1 418.497 4.020 20 0 HIADMN COCCSc1ccc([C@H](C)NCC(=O)Nc2ccccc2Br)cc1 ZINC000539306355 938837819 /nfs/dbraw/zinc/83/78/19/938837819.db2.gz UGCOWPHZGNMSOA-AWEZNQCLSA-N 0 1 423.376 4.477 20 0 HIADMN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000539310076 938838727 /nfs/dbraw/zinc/83/87/27/938838727.db2.gz HCHZBBHYNIYQTD-LSDHHAIUSA-N 0 1 417.456 4.093 20 0 HIADMN CCN(C(=O)CN[C@@H](C)c1cccc(N2CCCC2=O)c1)c1nc2ccccc2s1 ZINC000539310911 938839078 /nfs/dbraw/zinc/83/90/78/938839078.db2.gz RKOSGJXNVKXSBS-INIZCTEOSA-N 0 1 422.554 4.127 20 0 HIADMN CC(C)(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000539316263 938840106 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O=C(CNC1(c2cccc(C(F)(F)F)c2)CCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000539358126 938847805 /nfs/dbraw/zinc/84/78/05/938847805.db2.gz LKJSCOMLVXDAAZ-HNNXBMFYSA-N 0 1 408.386 4.475 20 0 HIADMN Cc1c([C@@H](C)N[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1-c1ccc(F)cc1 ZINC000539368117 938849892 /nfs/dbraw/zinc/84/98/92/938849892.db2.gz IJBFNABBNAERHV-JCRBTVCXSA-N 0 1 424.564 4.444 20 0 HIADMN Cc1c([C@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000539370202 938850053 /nfs/dbraw/zinc/85/00/53/938850053.db2.gz XIOGIILFRBYHAL-HOTGVXAUSA-N 0 1 412.484 4.329 20 0 HIADMN COc1ccc(CNC(=O)CN[C@H]2CCCOc3c(Cl)c(Cl)ccc32)cc1 ZINC000539369132 938850064 /nfs/dbraw/zinc/85/00/64/938850064.db2.gz BWLLWQBXLMPARY-KRWDZBQOSA-N 0 1 409.313 4.122 20 0 HIADMN Cc1c([C@@H](C)NCC(=O)N(C)[C@H](C)c2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000539370203 938850261 /nfs/dbraw/zinc/85/02/61/938850261.db2.gz XIOGIILFRBYHAL-HZPDHXFCSA-N 0 1 412.484 4.329 20 0 HIADMN C[C@H](NCC(=O)N(Cc1ccccc1)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000539370584 938850351 /nfs/dbraw/zinc/85/03/51/938850351.db2.gz NUHFVXZKBUKYOH-SLQAJWMNSA-N 0 1 406.551 4.308 20 0 HIADMN Cn1cc([C@H](NCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C(C)(C)C)cn1 ZINC000539377801 938851608 /nfs/dbraw/zinc/85/16/08/938851608.db2.gz XCTZYWIKLUSUHU-VXKWHMMOSA-N 0 1 400.542 4.284 20 0 HIADMN CN(C)Cc1cc(CNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)ccc1F ZINC000539383090 938852411 /nfs/dbraw/zinc/85/24/11/938852411.db2.gz XBIPIOSFAWEIOT-IBGZPJMESA-N 0 1 405.901 4.254 20 0 HIADMN C[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000539390863 938853149 /nfs/dbraw/zinc/85/31/49/938853149.db2.gz AYNQMGWKLDLEFJ-SFHVURJKSA-N 0 1 413.514 4.357 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)CS(=O)(=O)c2ccccc2)ccc1OCC(C)C ZINC000539395370 938854025 /nfs/dbraw/zinc/85/40/25/938854025.db2.gz OJKWNQSAAGPLKN-QZTJIDSGSA-N 0 1 405.560 4.243 20 0 HIADMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000539408106 938856191 /nfs/dbraw/zinc/85/61/91/938856191.db2.gz FSTLJFLNHHYMNX-AWEZNQCLSA-N 0 1 415.950 4.172 20 0 HIADMN CCO[C@@H]1C[C@H](N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)C12CCC2 ZINC000539496510 938868594 /nfs/dbraw/zinc/86/85/94/938868594.db2.gz IYNQNOCUFVPEBA-BDTNDASRSA-N 0 1 417.546 4.256 20 0 HIADMN COc1ccc([C@@H](C)NCc2ccc(CN3CCCC3=O)cc2)c(Br)c1 ZINC000539498878 938869150 /nfs/dbraw/zinc/86/91/50/938869150.db2.gz SNCUHDALOCYSQS-OAHLLOKOSA-N 0 1 417.347 4.431 20 0 HIADMN COc1ccc([C@H](OC)[C@H](C)NCc2cc(OC)c(OC)cc2Br)cc1 ZINC000539543956 938877159 /nfs/dbraw/zinc/87/71/59/938877159.db2.gz BABBAKPHARQUDS-RNODOKPDSA-N 0 1 424.335 4.341 20 0 HIADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000563540847 945212069 /nfs/dbraw/zinc/21/20/69/945212069.db2.gz HTZOCUZJXAURPW-DLBZAZTESA-N 0 1 410.539 4.311 20 0 HIADMN CNS(=O)(=O)c1cccc([C@@H](C)NC2(c3cccc(Br)c3)CCC2)c1 ZINC000539626110 938889821 /nfs/dbraw/zinc/88/98/21/938889821.db2.gz ZQCKIEKFEJIWEU-CQSZACIVSA-N 0 1 423.376 4.087 20 0 HIADMN 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Cc1[nH]ncc1C1CCN(C(=O)c2cccc(C)c2NC(=O)c2ccccc2F)CC1 ZINC000557172413 943039583 /nfs/dbraw/zinc/03/95/83/943039583.db2.gz CQSWIZOHMQFATF-UHFFFAOYSA-N 0 1 420.488 4.438 20 0 HIADMN Cc1[nH]ncc1C1CCN(C(=O)CCSc2ccccc2Br)CC1 ZINC000557174858 943040764 /nfs/dbraw/zinc/04/07/64/943040764.db2.gz PMPRMEOHQRTBCO-UHFFFAOYSA-N 0 1 408.365 4.369 20 0 HIADMN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000557181673 943042395 /nfs/dbraw/zinc/04/23/95/943042395.db2.gz WQQFEVNTTYJNFJ-SJORKVTESA-N 0 1 401.938 4.404 20 0 HIADMN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000557181670 943042576 /nfs/dbraw/zinc/04/25/76/943042576.db2.gz WQQFEVNTTYJNFJ-DLBZAZTESA-N 0 1 401.938 4.404 20 0 HIADMN Cc1c2cccc(Cl)c2oc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000557327328 943072312 /nfs/dbraw/zinc/07/23/12/943072312.db2.gz QNYFCQSVPVEZNC-HNAYVOBHSA-N 0 1 414.937 4.283 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000557354143 943083454 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CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)[C@@H](C)C(C)C ZINC000557583624 943218820 /nfs/dbraw/zinc/21/88/20/943218820.db2.gz SFVBFDFLVDNSOL-AWEZNQCLSA-N 0 1 424.950 4.353 20 0 HIADMN CC(C)(C)c1ccc(S(=O)(=O)CCNCc2cnc(-c3ccncc3)s2)cc1 ZINC000557693902 943261005 /nfs/dbraw/zinc/26/10/05/943261005.db2.gz VYJZFUNHIZKOEJ-UHFFFAOYSA-N 0 1 415.584 4.066 20 0 HIADMN Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)nc1Cc1ccccc1 ZINC000557719998 943268127 /nfs/dbraw/zinc/26/81/27/943268127.db2.gz MOLCVHXSMMWKRO-AWEZNQCLSA-N 0 1 405.527 4.155 20 0 HIADMN C[C@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000557760190 943282245 /nfs/dbraw/zinc/28/22/45/943282245.db2.gz ADXGXFGDPUCFMW-DJJJIMSYSA-N 0 1 416.399 4.149 20 0 HIADMN Cc1ccc2nc(NC(=O)c3cc(Cl)ccc3I)[nH]c2c1 ZINC000557807781 943298300 /nfs/dbraw/zinc/29/83/00/943298300.db2.gz ONZOLFSGDHGMLT-UHFFFAOYSA-N 0 1 411.630 4.382 20 0 HIADMN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000557931993 943332682 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HIADMN COc1cc([C@@H](C)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c(F)cn1 ZINC000558273217 943474194 /nfs/dbraw/zinc/47/41/94/943474194.db2.gz NORHFGCMVMSDGJ-MRXNPFEDSA-N 0 1 400.498 4.217 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CC(C)(C)[C@H]2c2cccs2)N(C)C)cc1OC ZINC000558380125 943536113 /nfs/dbraw/zinc/53/61/13/943536113.db2.gz HRTPFFOCBBXPQP-OXQOHEQNSA-N 0 1 417.575 4.161 20 0 HIADMN C[C@H]1CN(Cc2ccc(-c3nc(-c4cc(=O)[nH]c5ccccc54)no3)cc2)C[C@H](C)O1 ZINC000558394295 943545018 /nfs/dbraw/zinc/54/50/18/943545018.db2.gz ZTVSQRQZHWQECH-HOTGVXAUSA-N 0 1 416.481 4.267 20 0 HIADMN Cn1cc(CN2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(-c2cccs2)n1 ZINC000558413728 943552587 /nfs/dbraw/zinc/55/25/87/943552587.db2.gz OUNNVEPCHDUMIV-NRFANRHFSA-N 0 1 422.598 4.252 20 0 HIADMN Cn1cc(CN2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(-c2cccs2)n1 ZINC000558413731 943552622 /nfs/dbraw/zinc/55/26/22/943552622.db2.gz OUNNVEPCHDUMIV-OAQYLSRUSA-N 0 1 422.598 4.252 20 0 HIADMN OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)N2Cc1cnc([C@@H]2CCCO2)s1 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/nfs/dbraw/zinc/53/75/34/848537534.db2.gz NGZXJBAGYRULSF-UHFFFAOYSA-N 0 1 419.549 4.042 20 0 HIADMN CN(C)[C@@H](CNC(=O)CSCc1coc(-c2ccccc2)n1)c1ccsc1 ZINC000044487030 848560690 /nfs/dbraw/zinc/56/06/90/848560690.db2.gz CNISAKHMKOXEGV-SFHVURJKSA-N 0 1 401.557 4.055 20 0 HIADMN Cc1cc(C=C(C#N)C(=O)Nc2ccc3nc(C)[nH]c3c2)c(C)n1C[C@H]1CCCO1 ZINC000044685988 848592347 /nfs/dbraw/zinc/59/23/47/848592347.db2.gz SFLTWAVFGPPSJG-JZVSFUAJSA-N 0 1 403.486 4.014 20 0 HIADMN CN1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)c(C(F)(F)F)c2)CC1 ZINC000044796737 848605028 /nfs/dbraw/zinc/60/50/28/848605028.db2.gz FBBUMDXWLIFEMD-UHFFFAOYSA-N 0 1 403.404 4.456 20 0 HIADMN CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3F)c(C(F)(F)F)c2)CC1 ZINC000044796492 848605076 /nfs/dbraw/zinc/60/50/76/848605076.db2.gz WDTBMEQWGKTKEN-RMKNXTFCSA-N 0 1 407.411 4.248 20 0 HIADMN O=C(NCc1ccc(F)cc1)C1CCN(Cc2cccc(Br)c2)CC1 ZINC000044932082 848615589 /nfs/dbraw/zinc/61/55/89/848615589.db2.gz MALRDYMQZHHFFK-UHFFFAOYSA-N 0 1 405.311 4.117 20 0 HIADMN Cc1cc(Br)oc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045007222 848622406 /nfs/dbraw/zinc/62/24/06/848622406.db2.gz XUGSZIKSVPYUBS-UHFFFAOYSA-N 0 1 411.727 4.398 20 0 HIADMN CN(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045182350 848643377 /nfs/dbraw/zinc/64/33/77/848643377.db2.gz OKFQLDOKOMIPLP-UHFFFAOYSA-N 0 1 407.892 4.424 20 0 HIADMN CN1CCN(c2ccccc2NC(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000045288301 848660018 /nfs/dbraw/zinc/66/00/18/848660018.db2.gz YMPPHQYONLOZHE-UHFFFAOYSA-N 0 1 415.537 4.183 20 0 HIADMN CC(C)c1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cnn1-c1ccc(F)cc1 ZINC000045309179 848663686 /nfs/dbraw/zinc/66/36/86/848663686.db2.gz HHUFXBGGCLQCJA-FQEVSTJZSA-N 0 1 410.493 4.295 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccc(Cn2ccnc2)c1 ZINC000045742093 848721429 /nfs/dbraw/zinc/72/14/29/848721429.db2.gz DEJMRTXSPVNKFP-JOCHJYFZSA-N 0 1 408.933 4.152 20 0 HIADMN Cc1cc(C)c(NC(=O)[C@H](C)NCc2ccccc2CN2CCCC2=O)c(Cl)c1 ZINC000045812311 848732821 /nfs/dbraw/zinc/73/28/21/848732821.db2.gz GICJEXQGMPTDGB-KRWDZBQOSA-N 0 1 413.949 4.196 20 0 HIADMN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c(O)cc(Cl)cc1Cl ZINC000436755109 861942278 /nfs/dbraw/zinc/94/22/78/861942278.db2.gz LPWUUOIOTFDKMC-UHFFFAOYSA-N 0 1 407.297 4.255 20 0 HIADMN CCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436757243 861943809 /nfs/dbraw/zinc/94/38/09/861943809.db2.gz RQYNMFQBRPKKOA-UHFFFAOYSA-N 0 1 422.934 4.109 20 0 HIADMN CN(Cc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000046226504 848807219 /nfs/dbraw/zinc/80/72/19/848807219.db2.gz PUFHWKWLQIELFK-LJQANCHMSA-N 0 1 415.921 4.047 20 0 HIADMN C[C@H](OC[C@H](O)CN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000046346447 848830041 /nfs/dbraw/zinc/83/00/41/848830041.db2.gz OGZFFMDYPFXRPX-BQUVFFCOSA-N 0 1 414.977 4.110 20 0 HIADMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000046455451 848852148 /nfs/dbraw/zinc/85/21/48/848852148.db2.gz ZANCDBHNFDMSDU-CQSZACIVSA-N 0 1 406.877 4.144 20 0 HIADMN Cc1cccc(C(=O)N2CCCN(C(=O)c3cc(Cl)c4ccccc4c3O)CC2)c1 ZINC000436761238 861950839 /nfs/dbraw/zinc/95/08/39/861950839.db2.gz XFKCXZCTYRSIIX-UHFFFAOYSA-N 0 1 422.912 4.496 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)C[C@@H](C)O1 ZINC000046623568 848890200 /nfs/dbraw/zinc/89/02/00/848890200.db2.gz CPESXNGZFOPNOC-QZTJIDSGSA-N 0 1 400.950 4.198 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3occc3-c3ccccc3)cc2)C[C@H](C)O1 ZINC000046623492 848890254 /nfs/dbraw/zinc/89/02/54/848890254.db2.gz AFCDZSHTOLILTE-OALUTQOASA-N 0 1 404.510 4.486 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CCCc3c[nH]c4ccccc34)cc2)C[C@H](C)O1 ZINC000046736917 848923457 /nfs/dbraw/zinc/92/34/57/848923457.db2.gz VCBIXPQYQBAVNN-BGYRXZFFSA-N 0 1 419.569 4.416 20 0 HIADMN CCN(CC)Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000047221042 849006086 /nfs/dbraw/zinc/00/60/86/849006086.db2.gz IGMQGQHJRVHZTE-UHFFFAOYSA-N 0 1 409.452 4.103 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccc(Cn2cncn2)cc1 ZINC000047287778 849020337 /nfs/dbraw/zinc/02/03/37/849020337.db2.gz ILADATXJUDHNFO-UHFFFAOYSA-N 0 1 412.428 4.261 20 0 HIADMN O=C(Nc1nc(C(F)(F)F)cs1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000047387585 849036709 /nfs/dbraw/zinc/03/67/09/849036709.db2.gz CGYXIMMUQNZIMI-UHFFFAOYSA-N 0 1 402.417 4.087 20 0 HIADMN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCC(CN2CCOCC2)CC1 ZINC000047423509 849044918 /nfs/dbraw/zinc/04/49/18/849044918.db2.gz JAGBOPZIEPHVGK-UHFFFAOYSA-N 0 1 415.537 4.086 20 0 HIADMN O=C(Nc1cccc(NC(=O)c2ccncc2)c1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000047495398 849056205 /nfs/dbraw/zinc/05/62/05/849056205.db2.gz XEFITUGOWDRXBN-UHFFFAOYSA-N 0 1 401.401 4.115 20 0 HIADMN Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000047539467 849064700 /nfs/dbraw/zinc/06/47/00/849064700.db2.gz WQWPAFWOJNHXFJ-QZTJIDSGSA-N 0 1 419.525 4.189 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cccnc2Cl)ccc1OCC(C)C ZINC000047609367 849084495 /nfs/dbraw/zinc/08/44/95/849084495.db2.gz MFTDRDFHDMCUOX-HUUCEWRRSA-N 0 1 405.926 4.456 20 0 HIADMN Cc1ccc(CNC(=O)c2cccc(CNCc3cnn(-c4ccccc4)c3)c2)cc1 ZINC000047718506 849098083 /nfs/dbraw/zinc/09/80/83/849098083.db2.gz VFLYTXZSDDQAGT-UHFFFAOYSA-N 0 1 410.521 4.401 20 0 HIADMN CC(C)OCCCNC(=O)C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000047770676 849109502 /nfs/dbraw/zinc/10/95/02/849109502.db2.gz ZYRYUCWAYKDPKU-UHFFFAOYSA-N 0 1 419.953 4.138 20 0 HIADMN O=C1CCCN1C[C@@H](NCc1ccc(OCc2ccccn2)cc1)c1ccccc1 ZINC000047794470 849114412 /nfs/dbraw/zinc/11/44/12/849114412.db2.gz ZVJBDBTXFRCBIR-XMMPIXPASA-N 0 1 401.510 4.114 20 0 HIADMN COc1cc([C@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1OC(C)C ZINC000047871895 849130297 /nfs/dbraw/zinc/13/02/97/849130297.db2.gz SOPIBXYYIYSLDF-PKOBYXMFSA-N 0 1 415.534 4.273 20 0 HIADMN CCCOc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC ZINC000047882496 849131333 /nfs/dbraw/zinc/13/13/33/849131333.db2.gz KDUZPXQVSKBIRF-MJGOQNOKSA-N 0 1 415.534 4.274 20 0 HIADMN CCCOc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1OC ZINC000047882499 849131446 /nfs/dbraw/zinc/13/14/46/849131446.db2.gz KDUZPXQVSKBIRF-HKUYNNGSSA-N 0 1 415.534 4.274 20 0 HIADMN Cc1cc(C)nc(SCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)n1 ZINC000047917790 849137382 /nfs/dbraw/zinc/13/73/82/849137382.db2.gz GLXYETKUDBALMZ-UHFFFAOYSA-N 0 1 416.510 4.276 20 0 HIADMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCC(=O)N2 ZINC000047917755 849137432 /nfs/dbraw/zinc/13/74/32/849137432.db2.gz MYDHUZCUWJIQOE-UHFFFAOYSA-N 0 1 409.449 4.276 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(F)cc1 ZINC000048072857 849159462 /nfs/dbraw/zinc/15/94/62/849159462.db2.gz IPRQOASXLDEPQU-IBGZPJMESA-N 0 1 410.449 4.095 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000048138146 849176061 /nfs/dbraw/zinc/17/60/61/849176061.db2.gz ODXFTIJQYRZGSS-FQEVSTJZSA-N 0 1 400.498 4.368 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)N2CCCC2)cc1 ZINC000048169349 849184894 /nfs/dbraw/zinc/18/48/94/849184894.db2.gz BPQOYYJHKSNGRW-QFIPXVFZSA-N 0 1 410.562 4.091 20 0 HIADMN N#CCOc1cccc(NC(=O)N2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000048515731 849237986 /nfs/dbraw/zinc/23/79/86/849237986.db2.gz MOGCPHFCSDWIBK-UHFFFAOYSA-N 0 1 400.482 4.092 20 0 HIADMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1cccc(N2CCCC2=O)c1 ZINC000048712649 849258264 /nfs/dbraw/zinc/25/82/64/849258264.db2.gz PVSRVXLWMALQTF-UHFFFAOYSA-N 0 1 410.468 4.184 20 0 HIADMN COCCOc1cccc(CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)c1 ZINC000048744981 849261372 /nfs/dbraw/zinc/26/13/72/849261372.db2.gz YCLBPSYEYSDJAC-UHFFFAOYSA-N 0 1 401.457 4.082 20 0 HIADMN Fc1ccc(-c2n[nH]cc2CNCc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000048749755 849264084 /nfs/dbraw/zinc/26/40/84/849264084.db2.gz PXVPGLCHIJDUFX-UHFFFAOYSA-N 0 1 418.472 4.358 20 0 HIADMN COc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c1OC ZINC000048751961 849264426 /nfs/dbraw/zinc/26/44/26/849264426.db2.gz GZSGIYPZYJDMBH-UHFFFAOYSA-N 0 1 414.509 4.300 20 0 HIADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000048853857 849274369 /nfs/dbraw/zinc/27/43/69/849274369.db2.gz CHJWTTRYKGMRHL-OAQYLSRUSA-N 0 1 419.550 4.307 20 0 HIADMN COc1cc([C@H](C)NC(=O)NC[C@H](c2ccsc2)N(C)C)ccc1OC(C)C ZINC000049194979 849296561 /nfs/dbraw/zinc/29/65/61/849296561.db2.gz HQNIJPOUWVOYNH-MAUKXSAKSA-N 0 1 405.564 4.207 20 0 HIADMN C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000049798245 849331228 /nfs/dbraw/zinc/33/12/28/849331228.db2.gz XAPRYOITSQHNRT-KDOFPFPSSA-N 0 1 400.523 4.441 20 0 HIADMN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000049798244 849331681 /nfs/dbraw/zinc/33/16/81/849331681.db2.gz XAPRYOITSQHNRT-KSSFIOAISA-N 0 1 400.523 4.441 20 0 HIADMN COc1cccc([C@H](CNC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)N(C)C)c1 ZINC000049798812 849331706 /nfs/dbraw/zinc/33/17/06/849331706.db2.gz KXZHEYPLWYXSMQ-KXBFYZLASA-N 0 1 412.559 4.310 20 0 HIADMN Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000050534719 849393529 /nfs/dbraw/zinc/39/35/29/849393529.db2.gz AEIFNWFTVUUUBQ-UHFFFAOYSA-N 0 1 400.928 4.142 20 0 HIADMN CCOc1ccc(Oc2cc(CNC(=O)Cc3[nH]nc4ccccc43)ccn2)cc1 ZINC000050588266 849396136 /nfs/dbraw/zinc/39/61/36/849396136.db2.gz MUMGQDHMBRGXMD-UHFFFAOYSA-N 0 1 402.454 4.008 20 0 HIADMN COc1ccc(COc2cccc(F)c2)cc1NC(=O)Cc1n[nH]c2ccccc21 ZINC000050629021 849400161 /nfs/dbraw/zinc/40/01/61/849400161.db2.gz ZLMKUNJHBOQXCZ-UHFFFAOYSA-N 0 1 405.429 4.471 20 0 HIADMN C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC[N@H+]1Cc1ccccc1 ZINC000436846221 862023718 /nfs/dbraw/zinc/02/37/18/862023718.db2.gz BKFHFNLRYCSMAK-AWEZNQCLSA-N 0 1 421.310 4.030 20 0 HIADMN Cc1cc(N2CCSCC2)ccc1NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000051673308 849501950 /nfs/dbraw/zinc/50/19/50/849501950.db2.gz ZQACJHIVTFIPAF-IBGZPJMESA-N 0 1 404.605 4.034 20 0 HIADMN N#Cc1cccc(OCC(=O)C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1 ZINC000051677803 849503179 /nfs/dbraw/zinc/50/31/79/849503179.db2.gz ACQNZGQLGBFTEY-CQSZACIVSA-N 0 1 401.369 4.442 20 0 HIADMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)C(=O)c1ccc(Br)cc1 ZINC000436855504 862036100 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20 0 HIADMN CC(=O)c1ccc(O)c(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)c1 ZINC000436860551 862039957 /nfs/dbraw/zinc/03/99/57/862039957.db2.gz HGYKRIAHGGTPGX-UHFFFAOYSA-N 0 1 415.449 4.382 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1cc(NC(C)=O)ccc1F)c1ccccc1Cl ZINC000052959748 849650336 /nfs/dbraw/zinc/65/03/36/849650336.db2.gz NAHWFVMBFBNVCE-HXUWFJFHSA-N 0 1 405.901 4.250 20 0 HIADMN CC(=O)c1ccc(O)c(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000436862164 862041766 /nfs/dbraw/zinc/04/17/66/862041766.db2.gz NEHWYDZPGOWYPJ-UHFFFAOYSA-N 0 1 401.772 4.103 20 0 HIADMN CC(=O)Nc1ccc2c(CN(C)Cc3cccc(C(F)(F)F)c3)cc(=O)oc2c1 ZINC000053111356 849667436 /nfs/dbraw/zinc/66/74/36/849667436.db2.gz JJLWRRJILHPGQY-UHFFFAOYSA-N 0 1 404.388 4.402 20 0 HIADMN O=C(COc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000053336791 849696836 /nfs/dbraw/zinc/69/68/36/849696836.db2.gz SRQBJOUHMOLVDE-UHFFFAOYSA-N 0 1 410.411 4.004 20 0 HIADMN CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000053484714 849721172 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XEWQWDMFEMJWCF-UHFFFAOYSA-N 0 1 406.349 4.204 20 0 HIADMN OCCN(Cc1cc(Br)cs1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000426379437 856265696 /nfs/dbraw/zinc/26/56/96/856265696.db2.gz JEDCHXUDNKRWOQ-UHFFFAOYSA-N 0 1 410.312 4.034 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3CC[C@@H](c4ccccc4)[C@H](C)C3)cs2)c1C ZINC000426446824 856294790 /nfs/dbraw/zinc/29/47/90/856294790.db2.gz COGNEZIJAJQHQE-FOIQADDNSA-N 0 1 408.571 4.146 20 0 HIADMN COc1cccc(C=C(CC(=O)Nc2nnc(C)[nH]2)c2nc3ccccc3s2)c1 ZINC000426487474 856317433 /nfs/dbraw/zinc/31/74/33/856317433.db2.gz UBXCEAKRAHENSC-XNTDXEJSSA-N 0 1 405.483 4.301 20 0 HIADMN COc1ccc2c(c1)CN(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)[C@H](c1ccccc1)C2 ZINC000426493503 856319551 /nfs/dbraw/zinc/31/95/51/856319551.db2.gz BZVBALQDLVLIKV-HJPURHCSSA-N 0 1 404.514 4.167 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)n[nH]1 ZINC000426504147 856322632 /nfs/dbraw/zinc/32/26/32/856322632.db2.gz LBTJTZMTSBZDER-NGEICVOHSA-N 0 1 412.534 4.168 20 0 HIADMN COc1ccc2c(c1)CN(C(=O)N[C@H](C)Cc1cc(C)[nH]n1)[C@@H](C1CCCCC1)C2 ZINC000426508767 856325321 /nfs/dbraw/zinc/32/53/21/856325321.db2.gz PVHXWQGQFLDLTL-WAIKUNEKSA-N 0 1 410.562 4.375 20 0 HIADMN Cc1nnc(SCCC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)[nH]1 ZINC000467525280 881345018 /nfs/dbraw/zinc/34/50/18/881345018.db2.gz JSTYSGRBADUGQO-AWEZNQCLSA-N 0 1 424.530 4.117 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)Nc1cc(C2CCC(C(C)(C)C)CC2)[nH]n1 ZINC000426603179 856368253 /nfs/dbraw/zinc/36/82/53/856368253.db2.gz OGQJBQHSKXGOCE-UHFFFAOYSA-N 0 1 422.533 4.492 20 0 HIADMN Cc1nc(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)ccc1C(=O)[O-] ZINC000426647953 856392513 /nfs/dbraw/zinc/39/25/13/856392513.db2.gz PGBUTQXWHPDXDC-UHFFFAOYSA-N 0 1 401.260 4.401 20 0 HIADMN Cc1nc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)sc1C(=O)[O-] ZINC000426690110 856415111 /nfs/dbraw/zinc/41/51/11/856415111.db2.gz ZFXKUMUMFQDARS-UHFFFAOYSA-N 0 1 404.495 4.292 20 0 HIADMN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)CCc1nc3cccc(C)c3[nH]1)O[C@H](C)C2 ZINC000426704711 856422302 /nfs/dbraw/zinc/42/23/02/856422302.db2.gz SOECLFNCEDMLAH-SYNHAJSKSA-N 0 1 419.525 4.198 20 0 HIADMN COc1ccc(Br)c(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000426730298 856439470 /nfs/dbraw/zinc/43/94/70/856439470.db2.gz KSQBQSKIWLMDPL-HNNXBMFYSA-N 0 1 402.647 4.166 20 0 HIADMN COc1ccc(Br)cc1[C@@H]([NH2+]Cc1cccc(Cl)c1F)C(=O)[O-] ZINC000426741617 856447374 /nfs/dbraw/zinc/44/73/74/856447374.db2.gz GDQTXQMXONIIRU-OAHLLOKOSA-N 0 1 402.647 4.166 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1cnn(-c2ccccc2)c1 ZINC000426757519 856459778 /nfs/dbraw/zinc/45/97/78/856459778.db2.gz CXTYCLKGYRMSIU-SFHVURJKSA-N 0 1 418.266 4.080 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)c1cnn(-c2ccccc2)c1 ZINC000426756727 856460167 /nfs/dbraw/zinc/46/01/67/856460167.db2.gz AAYOCZZOYAGPGW-IBGZPJMESA-N 0 1 404.495 4.301 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccccc2)c1 ZINC000426759493 856462304 /nfs/dbraw/zinc/46/23/04/856462304.db2.gz WSUPDYMGIWHPCP-SFHVURJKSA-N 0 1 407.367 4.336 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1F)c1cnn(-c2ccccc2)c1 ZINC000426759492 856462478 /nfs/dbraw/zinc/46/24/78/856462478.db2.gz WSUPDYMGIWHPCP-GOSISDBHSA-N 0 1 407.367 4.336 20 0 HIADMN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)Cc1ccccc1OC(F)F ZINC000426787032 856478015 /nfs/dbraw/zinc/47/80/15/856478015.db2.gz AEEUWAGYNAVGBC-OAHLLOKOSA-N 0 1 410.486 4.021 20 0 HIADMN C[C@@H](NC(=O)CN1CCC(OC[C@H]2CCCCO2)CC1)c1ccc2ccccc2c1 ZINC000426787253 856478276 /nfs/dbraw/zinc/47/82/76/856478276.db2.gz CMOUMCNURRBZIP-NTKDMRAZSA-N 0 1 410.558 4.067 20 0 HIADMN CCC[C@H](NC(=O)[C@@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1)c1ccccc1 ZINC000426799593 856485889 /nfs/dbraw/zinc/48/58/89/856485889.db2.gz IVSCXEOHODYVCF-OIBXWCBGSA-N 0 1 402.579 4.083 20 0 HIADMN O=C([O-])[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(Br)cc1 ZINC000426815993 856494516 /nfs/dbraw/zinc/49/45/16/856494516.db2.gz IEAQXXVGEDNWSH-CQSZACIVSA-N 0 1 417.072 4.266 20 0 HIADMN COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2cc(Cl)cc(Cl)c2OC)c1OC ZINC000426820463 856496137 /nfs/dbraw/zinc/49/61/37/856496137.db2.gz LJCCXOIGTBVOLF-OAHLLOKOSA-N 0 1 414.285 4.325 20 0 HIADMN C[C@@H]1CCc2nc(C[NH2+][C@H](CC(=O)[O-])c3cccc(Br)c3)sc2C1 ZINC000426820635 856497805 /nfs/dbraw/zinc/49/78/05/856497805.db2.gz LZTXGXGQOSWFSG-IAQYHMDHSA-N 0 1 409.349 4.336 20 0 HIADMN COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)cc2Br)C(=O)[O-])cc1F ZINC000426822489 856498621 /nfs/dbraw/zinc/49/86/21/856498621.db2.gz CLKYEONMWHIAAL-OAHLLOKOSA-N 0 1 402.647 4.166 20 0 HIADMN CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000426825564 856499880 /nfs/dbraw/zinc/49/98/80/856499880.db2.gz BCTYSWMZMGHRTI-OAHLLOKOSA-N 0 1 413.392 4.240 20 0 HIADMN COc1ccc(C[NH2+][C@H](CC(=O)[O-])c2cccc(Cl)c2)c(Br)c1O ZINC000426827164 856502242 /nfs/dbraw/zinc/50/22/42/856502242.db2.gz QYXGEBVIKOVTAU-CYBMUJFWSA-N 0 1 414.683 4.122 20 0 HIADMN CCc1c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cnn1CCC(C)C ZINC000426841506 856507919 /nfs/dbraw/zinc/50/79/19/856507919.db2.gz VUBXFIXEJDJLIQ-UHFFFAOYSA-N 0 1 400.542 4.025 20 0 HIADMN COc1cc(F)c([C@H](C)NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1OC ZINC000426853319 856512368 /nfs/dbraw/zinc/51/23/68/856512368.db2.gz IBCBWTAORZKHKE-VIFPVBQESA-N 0 1 409.870 4.439 20 0 HIADMN COc1cccc(C=C(CC(=O)NCc2cnc[nH]2)c2nc3ccccc3s2)c1 ZINC000426868335 856519697 /nfs/dbraw/zinc/51/96/97/856519697.db2.gz FPFAWZWAJJFVFM-SXGWCWSVSA-N 0 1 404.495 4.275 20 0 HIADMN COc1cccc(C=C(CC(=O)N(C)Cc2nnc[nH]2)c2nc3ccccc3s2)c1 ZINC000426875628 856522183 /nfs/dbraw/zinc/52/21/83/856522183.db2.gz PAIZDDCESKDTTL-MHWRWJLKSA-N 0 1 419.510 4.012 20 0 HIADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000426888833 856528094 /nfs/dbraw/zinc/52/80/94/856528094.db2.gz BTQVZPAZERRNOF-RHSMWYFYSA-N 0 1 418.335 4.470 20 0 HIADMN O=C(Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1)[C@H]1CCCc2[nH]ncc21 ZINC000426921999 856543044 /nfs/dbraw/zinc/54/30/44/856543044.db2.gz WYXRUXLNGNOGCB-JTQLQIEISA-N 0 1 407.314 4.428 20 0 HIADMN COc1ccccc1[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)c1ccco1 ZINC000426982991 856578826 /nfs/dbraw/zinc/57/88/26/856578826.db2.gz MLOSZKRBQFVDLF-QHCPKHFHSA-N 0 1 422.550 4.356 20 0 HIADMN COc1cccc(/C=C(\CC(=O)N2CC(N(C)C)C2)c2nc3ccccc3s2)c1 ZINC000426988773 856581668 /nfs/dbraw/zinc/58/16/68/856581668.db2.gz DBAWZQUVCXBZTE-GZTJUZNOSA-N 0 1 407.539 4.008 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3C[C@H](c4ccc(F)cc4)C[C@@H]3C)cs2)c1C ZINC000426997450 856586550 /nfs/dbraw/zinc/58/65/50/856586550.db2.gz KZPLNRCEKMUXHN-SUMWQHHRSA-N 0 1 412.534 4.038 20 0 HIADMN Cc1ccc(C[C@@H]2CCCN2Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)cc1 ZINC000427025975 856601068 /nfs/dbraw/zinc/60/10/68/856601068.db2.gz HGNLVKAGMNISOH-FQEVSTJZSA-N 0 1 408.571 4.036 20 0 HIADMN Cc1ccc(C[C@H]2CCCN2Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)cc1 ZINC000427025976 856601169 /nfs/dbraw/zinc/60/11/69/856601169.db2.gz HGNLVKAGMNISOH-HXUWFJFHSA-N 0 1 408.571 4.036 20 0 HIADMN O=C([C@@H]1[C@@H](c2ccccc2)C1(F)F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000427096992 856634627 /nfs/dbraw/zinc/63/46/27/856634627.db2.gz NICUDUDSHPKYQD-QRVBRYPASA-N 0 1 408.452 4.227 20 0 HIADMN CCc1oc(C(=O)OC)cc1CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000427107775 856642824 /nfs/dbraw/zinc/64/28/24/856642824.db2.gz OBUCIIVPXFIWHS-UHFFFAOYSA-N 0 1 407.879 4.368 20 0 HIADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427112630 856644657 /nfs/dbraw/zinc/64/46/57/856644657.db2.gz BYMHCABZRKYVFF-GOSISDBHSA-N 0 1 403.404 4.391 20 0 HIADMN CCc1c(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cnn1CCC(C)C ZINC000427118565 856648777 /nfs/dbraw/zinc/64/87/77/856648777.db2.gz YXHRYYJKHKWOCS-UHFFFAOYSA-N 0 1 417.985 4.149 20 0 HIADMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)c1nc(Cc2ccccc2)no1 ZINC000427148649 856671024 /nfs/dbraw/zinc/67/10/24/856671024.db2.gz YSTOILVNXFNTJS-NSHDSACASA-N 0 1 413.890 4.256 20 0 HIADMN Cc1ccc(-c2c[nH]cc2C(=O)NCC2(CN3CCOCC3)CCCCC2)s1 ZINC000427156097 856675642 /nfs/dbraw/zinc/67/56/42/856675642.db2.gz VYSBWZWWQYPBTD-UHFFFAOYSA-N 0 1 401.576 4.064 20 0 HIADMN CCN(CCNC(=O)c1ccc(Br)cc1Cl)CCC(F)(F)F ZINC000427206474 856712948 /nfs/dbraw/zinc/71/29/48/856712948.db2.gz RXKMHPQGKFCTMM-UHFFFAOYSA-N 0 1 401.654 4.107 20 0 HIADMN CCN(CCNC(=O)c1c(C)onc1-c1c(F)cccc1Cl)CCC(F)(F)F ZINC000427225740 856722372 /nfs/dbraw/zinc/72/23/72/856722372.db2.gz GOYRFAXZPYVTNP-UHFFFAOYSA-N 0 1 421.822 4.447 20 0 HIADMN CCN(CCNC(=O)C1(c2ccc(Br)cc2)CCC1)CCC(F)(F)F ZINC000427229625 856724584 /nfs/dbraw/zinc/72/45/84/856724584.db2.gz KQSAMPQJNHYYMR-UHFFFAOYSA-N 0 1 421.301 4.261 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)cn1 ZINC000427233018 856727346 /nfs/dbraw/zinc/72/73/46/856727346.db2.gz YKLJLTDXSFQJGM-UHFFFAOYSA-N 0 1 423.423 4.294 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)c2ccccc2SCc2cn3ccccc3n2)n[nH]1 ZINC000427261681 856742164 /nfs/dbraw/zinc/74/21/64/856742164.db2.gz ABJOJLZHPOFYAH-HNNXBMFYSA-N 0 1 405.527 4.019 20 0 HIADMN CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000427393803 856804941 /nfs/dbraw/zinc/80/49/41/856804941.db2.gz CNVPBEQCPGYHDA-UHFFFAOYSA-N 0 1 422.407 4.060 20 0 HIADMN CCN(CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)CCC(F)(F)F ZINC000427402231 856807209 /nfs/dbraw/zinc/80/72/09/856807209.db2.gz ARENTQDUUPTLOO-UHFFFAOYSA-N 0 1 412.456 4.038 20 0 HIADMN Cc1cccc2nc(CCC(=O)N(C)[C@H](c3ccc(Cl)cc3)c3cnccn3)[nH]c21 ZINC000427423719 856814374 /nfs/dbraw/zinc/81/43/74/856814374.db2.gz GTGPCLGLMMJUHX-HSZRJFAPSA-N 0 1 419.916 4.495 20 0 HIADMN COc1ccccc1-c1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C3CC3)C2)n1 ZINC000427442370 856821622 /nfs/dbraw/zinc/82/16/22/856821622.db2.gz GEIYNYKUUNMWNZ-UZLBHIALSA-N 0 1 411.571 4.152 20 0 HIADMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427547998 856860131 /nfs/dbraw/zinc/86/01/31/856860131.db2.gz BGKDCZCPCNNIJB-DNVCBOLYSA-N 0 1 412.477 4.320 20 0 HIADMN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000427607497 856886085 /nfs/dbraw/zinc/88/60/85/856886085.db2.gz BVCVTVQNHGAXON-FGZHOGPDSA-N 0 1 419.491 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CCc1nc(-c2ccc(C(=O)Nc3ccc4nc([C@@H]5CCCO5)[nH]c4c3)cc2)n[nH]1 ZINC000433004462 859473037 /nfs/dbraw/zinc/47/30/37/859473037.db2.gz YPQLPEBZRDYPKB-SFHVURJKSA-N 0 1 402.458 4.014 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1cc2ccccc2s1 ZINC000433008055 859475187 /nfs/dbraw/zinc/47/51/87/859475187.db2.gz NOKOWLSLXIGQRK-UHFFFAOYSA-N 0 1 424.570 4.374 20 0 HIADMN COc1ccccc1-c1noc(C2CCN(Cc3c(C)nc4ccccn43)CC2)n1 ZINC000433022646 859484674 /nfs/dbraw/zinc/48/46/74/859484674.db2.gz WRPRFRDFVYUTBH-UHFFFAOYSA-N 0 1 403.486 4.081 20 0 HIADMN O=C(CN[C@@H](c1ccccc1)C(F)F)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000433055494 859503166 /nfs/dbraw/zinc/50/31/66/859503166.db2.gz YGVHYIXHVAPQFR-FPOVZHCZSA-N 0 1 421.919 4.189 20 0 HIADMN CCC[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)c1nn[nH]n1 ZINC000467638505 881435481 /nfs/dbraw/zinc/43/54/81/881435481.db2.gz FOKQQNJXZHHFCC-AWEZNQCLSA-N 0 1 424.555 4.252 20 0 HIADMN CC(=O)Nc1ccc(CNCc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cn1 ZINC000433188100 859559474 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CCC[C@H]1CN(C(=O)Nc2ccccc2-c2csc(C)n2)CCN1CCOC ZINC000433787978 859893458 /nfs/dbraw/zinc/89/34/58/859893458.db2.gz AFWVFJWEFDZYAJ-KRWDZBQOSA-N 0 1 402.564 4.083 20 0 HIADMN CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000433854354 859935848 /nfs/dbraw/zinc/93/58/48/859935848.db2.gz VRVLJLCAQJIZLF-UHFFFAOYSA-N 0 1 407.442 4.327 20 0 HIADMN CCC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000433887153 859951926 /nfs/dbraw/zinc/95/19/26/859951926.db2.gz GWVJURKCVYUXGM-SFHVURJKSA-N 0 1 424.888 4.111 20 0 HIADMN CC(C)n1nc(-c2ccco2)cc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000433927106 859978056 /nfs/dbraw/zinc/97/80/56/859978056.db2.gz PSHTZXPLLIJYKC-QGZVFWFLSA-N 0 1 422.533 4.466 20 0 HIADMN Cc1ccn(C2CCN(C(=O)NC[C@H](c3cccc(Cl)c3)N3CCCC3)CC2)n1 ZINC000433939289 859986981 /nfs/dbraw/zinc/98/69/81/859986981.db2.gz FZZVGJRFSLTTPE-OAQYLSRUSA-N 0 1 415.969 4.029 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(N4CCCC4)cc3C)[nH]n2)cc1OC ZINC000433943716 859991358 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401.555 4.045 20 0 HIADMN C[C@H](NS(=O)(=O)c1c(F)cccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000464186177 877357340 /nfs/dbraw/zinc/35/73/40/877357340.db2.gz KTHGCZXDKHXRKY-VIFPVBQESA-N 0 1 416.261 4.222 20 0 HIADMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1cccc2c1CC(=O)CC2 ZINC000464189812 877360797 /nfs/dbraw/zinc/36/07/97/877360797.db2.gz SUPVOLMTWLLFDY-UHFFFAOYSA-N 0 1 408.461 4.449 20 0 HIADMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1cccc2c1CC(=O)CC2 ZINC000464189812 877360810 /nfs/dbraw/zinc/36/08/10/877360810.db2.gz SUPVOLMTWLLFDY-UHFFFAOYSA-N 0 1 408.461 4.449 20 0 HIADMN Cc1ccc(-n2ncc(C(=O)Nc3cccc(N4CCC[NH+]=C4[O-])c3)c2C(C)C)cc1 ZINC000464191800 877362279 /nfs/dbraw/zinc/36/22/79/877362279.db2.gz JZMHNDSPMDCIIG-UHFFFAOYSA-N 0 1 417.513 4.476 20 0 HIADMN Cc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3c(F)cccc3Cl)n2)cc1F ZINC000464198251 877368401 /nfs/dbraw/zinc/36/84/01/877368401.db2.gz YTCLKRLINOIWFZ-SNVBAGLBSA-N 0 1 413.833 4.016 20 0 HIADMN O=C(c1ccc(CN2CCSCC2)cc1)N1CC[C@@H](CSc2ccccc2)C1 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CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000503325997 912304850 /nfs/dbraw/zinc/30/48/50/912304850.db2.gz PVTMWUNMBJCABJ-GOSISDBHSA-N 0 1 411.571 4.157 20 0 HIADMN COc1ccc(OC)c(NC(=O)[C@H](C)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464760240 878001870 /nfs/dbraw/zinc/00/18/70/878001870.db2.gz DSZHBEISAPFPHZ-IRXDYDNUSA-N 0 1 400.544 4.145 20 0 HIADMN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](CSc3ccccc3)C2)cc1OC ZINC000464762304 878003972 /nfs/dbraw/zinc/00/39/72/878003972.db2.gz JWBFUUFEZPVETO-IRXDYDNUSA-N 0 1 400.544 4.145 20 0 HIADMN CN(CCc1cccs1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000464762748 878005009 /nfs/dbraw/zinc/00/50/09/878005009.db2.gz MAMMRANKQPQTMQ-JOCHJYFZSA-N 0 1 408.523 4.009 20 0 HIADMN O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)NC1CCN(Cc2ccncc2)CC1 ZINC000464834416 878095577 /nfs/dbraw/zinc/09/55/77/878095577.db2.gz WHQUIWHTVGXFFV-HSZRJFAPSA-N 0 1 410.537 4.416 20 0 HIADMN COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@]3(CCOC3)C2)cc1Cl ZINC000464848106 878122973 /nfs/dbraw/zinc/12/29/73/878122973.db2.gz FIYHNFVVXFSJNS-UNMCSNQZSA-N 0 1 400.906 4.141 20 0 HIADMN CCSCC[C@@H](C)N(C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000464857310 878136081 /nfs/dbraw/zinc/13/60/81/878136081.db2.gz MADGKXKRWQZTLX-OAHLLOKOSA-N 0 1 405.589 4.402 20 0 HIADMN COC(=O)c1cc(CN2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)c(C)s1 ZINC000464867305 878150848 /nfs/dbraw/zinc/15/08/48/878150848.db2.gz USHHYXHCEASTRC-QGZVFWFLSA-N 0 1 415.559 4.185 20 0 HIADMN COC1CCC(N(C)CC(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)CC1 ZINC000464879176 878171278 /nfs/dbraw/zinc/17/12/78/878171278.db2.gz MPILLGUCHCNVPY-UHFFFAOYSA-N 0 1 401.576 4.179 20 0 HIADMN COC(=O)[C@@H](C)[C@@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000464884265 878177419 /nfs/dbraw/zinc/17/74/19/878177419.db2.gz SVQJLOLHLNUHNV-VBKZILBWSA-N 0 1 423.340 4.092 20 0 HIADMN COC(=O)[C@@H](C)[C@H](NCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000464884267 878178443 /nfs/dbraw/zinc/17/84/43/878178443.db2.gz SVQJLOLHLNUHNV-XOBRGWDASA-N 0 1 423.340 4.092 20 0 HIADMN Cc1cccc(Oc2cc(CNC(=O)[C@@H](Cc3ccccc3)N(C)C)ccn2)c1C ZINC000464892206 878194153 /nfs/dbraw/zinc/19/41/53/878194153.db2.gz WYVUYORAWKFCRT-JOCHJYFZSA-N 0 1 403.526 4.280 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H](C)CCc1ccccc1F ZINC000464936231 878266941 /nfs/dbraw/zinc/26/69/41/878266941.db2.gz ATLDTJQOXDASCW-GOSISDBHSA-N 0 1 413.537 4.184 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000464942300 878277642 /nfs/dbraw/zinc/27/76/42/878277642.db2.gz WECLHCZXLXGQLF-UHFFFAOYSA-N 0 1 410.493 4.018 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)Nc3cccc(F)c3F)CC2)c1C ZINC000503361729 912337206 /nfs/dbraw/zinc/33/72/06/912337206.db2.gz AUCDBBNQXWHQCA-UHFFFAOYSA-N 0 1 418.488 4.114 20 0 HIADMN CCN1CCN([C@@H]2CCN(c3nc(-c4ccccc4C(F)(F)F)cs3)C2)CC1 ZINC000465053944 878416595 /nfs/dbraw/zinc/41/65/95/878416595.db2.gz YFCWVGHLZFGITJ-OAHLLOKOSA-N 0 1 410.509 4.045 20 0 HIADMN COc1cc(NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c(OC)cc1Cl ZINC000503371562 912350878 /nfs/dbraw/zinc/35/08/78/912350878.db2.gz SPJFTOQTCMWNOH-FKIZINRSSA-N 0 1 409.313 4.474 20 0 HIADMN Cc1ccc([C@@H](NC(=O)N(C)CCCN(C)Cc2ccco2)c2ccccn2)cc1 ZINC000503375016 912356906 /nfs/dbraw/zinc/35/69/06/912356906.db2.gz PPTFXPULFATVLQ-HSZRJFAPSA-N 0 1 406.530 4.236 20 0 HIADMN CCCn1nccc1C1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000503373909 912354929 /nfs/dbraw/zinc/35/49/29/912354929.db2.gz GBWHYROIGOJPLZ-UHFFFAOYSA-N 0 1 414.569 4.439 20 0 HIADMN CCO[C@H](CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)C1=CCCC1 ZINC000465168313 878552302 /nfs/dbraw/zinc/55/23/02/878552302.db2.gz SAGFPTFJFZKOHH-JOCHJYFZSA-N 0 1 413.562 4.345 20 0 HIADMN C[C@H](CCOc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000465170337 878556220 /nfs/dbraw/zinc/55/62/20/878556220.db2.gz BNEZADQTXCNMHJ-CYBMUJFWSA-N 0 1 415.291 4.278 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)[nH]c2c1 ZINC000465180998 878570238 /nfs/dbraw/zinc/57/02/38/878570238.db2.gz CACOXLHGHGOVLL-UHFFFAOYSA-N 0 1 417.366 4.145 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3cc(C)nc4cc(Br)ccc43)[nH]c2c1 ZINC000465187923 878579362 /nfs/dbraw/zinc/57/93/62/878579362.db2.gz SLAVOMKTHKUKPC-UHFFFAOYSA-N 0 1 409.287 4.420 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)[nH]c2c1 ZINC000465195934 878595097 /nfs/dbraw/zinc/59/50/97/878595097.db2.gz OROABPHVVCQLOH-UHFFFAOYSA-N 0 1 417.366 4.145 20 0 HIADMN Cc1c(C(=O)NCc2nc3ccc(C)cc3[nH]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000465196628 878597881 /nfs/dbraw/zinc/59/78/81/878597881.db2.gz WJHJEHFQGHYIPN-UHFFFAOYSA-N 0 1 413.403 4.314 20 0 HIADMN Cc1ccc2nc(CNC(=O)CCCOc3cccc(Br)c3)[nH]c2c1 ZINC000465201006 878606008 /nfs/dbraw/zinc/60/60/08/878606008.db2.gz SFKCWSAFMHYZKU-UHFFFAOYSA-N 0 1 402.292 4.109 20 0 HIADMN CN(CCOCc1ccccc1)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000465213562 878628655 /nfs/dbraw/zinc/62/86/55/878628655.db2.gz GAZVHZMFUONMLQ-UHFFFAOYSA-N 0 1 415.965 4.163 20 0 HIADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000465243273 878663257 /nfs/dbraw/zinc/66/32/57/878663257.db2.gz RWTYZDNMGVDUHB-OAQYLSRUSA-N 0 1 412.509 4.039 20 0 HIADMN Cc1sc2nc([C@H](C)N3CCC[C@H](c4ncc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389903 912372946 /nfs/dbraw/zinc/37/29/46/912372946.db2.gz INDLNPNYBIJIEB-HOCLYGCPSA-N 0 1 410.591 4.364 20 0 HIADMN Cc1c(F)cccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000465279547 878714498 /nfs/dbraw/zinc/71/44/98/878714498.db2.gz WFVVVCPKCXTPRB-UHFFFAOYSA-N 0 1 402.422 4.326 20 0 HIADMN Cc1ncccc1NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000465284558 878721264 /nfs/dbraw/zinc/72/12/64/878721264.db2.gz KIBPSTUDVZMREV-UHFFFAOYSA-N 0 1 401.875 4.097 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](CC(C)C)C2)c1 ZINC000465300583 878744844 /nfs/dbraw/zinc/74/48/44/878744844.db2.gz MCZGYNAQFHGGTQ-KRWDZBQOSA-N 0 1 416.543 4.004 20 0 HIADMN CCN(CCOCCO)[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000503402591 912382218 /nfs/dbraw/zinc/38/22/18/912382218.db2.gz BCZYGEFUAJOLAW-KRWDZBQOSA-N 0 1 401.938 4.130 20 0 HIADMN CCN(CCOCCO)[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000503402592 912382653 /nfs/dbraw/zinc/38/26/53/912382653.db2.gz BCZYGEFUAJOLAW-QGZVFWFLSA-N 0 1 401.938 4.130 20 0 HIADMN Cc1nc(C)c(NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)s1 ZINC000465398630 878836271 /nfs/dbraw/zinc/83/62/71/878836271.db2.gz VAMNVMLZQIYCLH-UHFFFAOYSA-N 0 1 421.931 4.466 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CCOC[C@@H]2c2ccccc2)N2CCCCC2)cc1 ZINC000465402765 878840223 /nfs/dbraw/zinc/84/02/23/878840223.db2.gz HEHOVOJZYRBWLV-DNQXCXABSA-N 0 1 423.557 4.005 20 0 HIADMN CC[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000465407657 878842946 /nfs/dbraw/zinc/84/29/46/878842946.db2.gz QVEHKORASQGNOE-QWRGUYRKSA-N 0 1 406.499 4.277 20 0 HIADMN CC[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nc(C(F)(F)F)cs1 ZINC000465411879 878846369 /nfs/dbraw/zinc/84/63/69/878846369.db2.gz PBSYGXAUAROZOZ-CHWSQXEVSA-N 0 1 416.469 4.342 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000465416413 878848933 /nfs/dbraw/zinc/84/89/33/878848933.db2.gz YRRDEALBKALLKK-YADHBBJMSA-N 0 1 411.546 4.055 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1Cl ZINC000465423773 878852706 /nfs/dbraw/zinc/85/27/06/878852706.db2.gz RYHFKGUHDQWDKT-BTYIYWSLSA-N 0 1 420.001 4.004 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)NCCc1c[nH]c2c1cccc2C)N1CCCC1 ZINC000465425484 878854047 /nfs/dbraw/zinc/85/40/47/878854047.db2.gz AIJCXSSRXNVVEF-JOCHJYFZSA-N 0 1 420.557 4.164 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N2CC[C@@H](CSc3ccccc3)C2)N(C)C)c1 ZINC000465427855 878858029 /nfs/dbraw/zinc/85/80/29/878858029.db2.gz FIGBXJSPUUUEOP-XMSQKQJNSA-N 0 1 413.587 4.122 20 0 HIADMN Cc1nc(-c2ccc(CCNC(=O)NCc3nc4ccc(C)cc4[nH]3)s2)cs1 ZINC000465490630 878933247 /nfs/dbraw/zinc/93/32/47/878933247.db2.gz UFXGBMCQURCADK-UHFFFAOYSA-N 0 1 411.556 4.407 20 0 HIADMN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000503414730 912400536 /nfs/dbraw/zinc/40/05/36/912400536.db2.gz LFMQKDITSTWYDT-OAHLLOKOSA-N 0 1 410.905 4.229 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC2(CCOCC2)C1 ZINC000465522965 878974240 /nfs/dbraw/zinc/97/42/40/878974240.db2.gz BTUNDMSKLYXOFN-HXUWFJFHSA-N 0 1 405.970 4.079 20 0 HIADMN Cc1ccc2nc(CNC(=O)NCc3cccnc3Oc3cccc(F)c3)[nH]c2c1 ZINC000465528029 878982291 /nfs/dbraw/zinc/98/22/91/878982291.db2.gz WWYPERLMVINSRA-UHFFFAOYSA-N 0 1 405.433 4.197 20 0 HIADMN CCN(Cc1cccc(-c2ccncc2)c1)C(=O)NCCN1CCc2ccccc2C1 ZINC000465528216 878982652 /nfs/dbraw/zinc/98/26/52/878982652.db2.gz JFUNJJIGTUAYAH-UHFFFAOYSA-N 0 1 414.553 4.338 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000465541893 879004077 /nfs/dbraw/zinc/00/40/77/879004077.db2.gz MOYFNWUSEZVDFR-NRSPTQNISA-N 0 1 401.576 4.126 20 0 HIADMN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000465550545 879013878 /nfs/dbraw/zinc/01/38/78/879013878.db2.gz UCVDUCOGISZGHT-VXKWHMMOSA-N 0 1 415.603 4.093 20 0 HIADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCC(OCC2CC2)CC1 ZINC000465551542 879017200 /nfs/dbraw/zinc/01/72/00/879017200.db2.gz XXPHNQOBAVDGDE-NRFANRHFSA-N 0 1 405.970 4.078 20 0 HIADMN C[C@@H](CNC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)Cc1cccs1 ZINC000465553967 879021318 /nfs/dbraw/zinc/02/13/18/879021318.db2.gz FDQHBJWZJBUMLC-QRVBRYPASA-N 0 1 415.603 4.035 20 0 HIADMN CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000465555774 879023098 /nfs/dbraw/zinc/02/30/98/879023098.db2.gz LZJIENDXSKFOAJ-STWLZBDKSA-N 0 1 423.601 4.459 20 0 HIADMN CC(=O)N(c1nc(CN[C@H]2CCCC23CCOCC3)cs1)c1ccccc1F ZINC000503427172 912421386 /nfs/dbraw/zinc/42/13/86/912421386.db2.gz CECMZDVDZSUYKT-IBGZPJMESA-N 0 1 403.523 4.406 20 0 HIADMN Cc1cccc2c(CCNC(=O)NC3CCN(Cc4ccc(F)cc4)CC3)c[nH]c21 ZINC000465643016 879160543 /nfs/dbraw/zinc/16/05/43/879160543.db2.gz VVLDOTCIPQESNE-UHFFFAOYSA-N 0 1 408.521 4.122 20 0 HIADMN C[C@@H]1C[C@H]1[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(Cl)cc1 ZINC000465644657 879162844 /nfs/dbraw/zinc/16/28/44/879162844.db2.gz ADNKNDBNVTURIY-NPFVIJTESA-N 0 1 412.965 4.396 20 0 HIADMN COc1ccc([C@H](C)CCNC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000465646936 879165298 /nfs/dbraw/zinc/16/52/98/879165298.db2.gz ULAQAZDQJCZYDH-GOSISDBHSA-N 0 1 413.537 4.292 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc(F)cc1 ZINC000465681599 879226388 /nfs/dbraw/zinc/22/63/88/879226388.db2.gz GRJTZGNJMMAIIE-HOTGVXAUSA-N 0 1 412.292 4.168 20 0 HIADMN CN(C)[C@H](CNC(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(F)cc1 ZINC000465691331 879244045 /nfs/dbraw/zinc/24/40/45/879244045.db2.gz POFBLOAGNLZLFZ-HXUWFJFHSA-N 0 1 402.901 4.105 20 0 HIADMN Cc1ccc2nc(CNC(=O)N[C@H](C)COc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000465755807 879345642 /nfs/dbraw/zinc/34/56/42/879345642.db2.gz PRWPZPNPFNRPFJ-CYBMUJFWSA-N 0 1 406.408 4.157 20 0 HIADMN Cc1cc(F)ccc1N1CCC[C@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)C1=O ZINC000503438373 912450456 /nfs/dbraw/zinc/45/04/56/912450456.db2.gz HDPWNXWTCPOKDZ-AVRDEDQJSA-N 0 1 410.537 4.042 20 0 HIADMN CO[C@H](CNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(Cl)cc1 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CN(C)[C@H]1CCOc2c(NC(=O)C3(c4cccc(Cl)c4)CCOCC3)cccc21 ZINC000469173318 883273207 /nfs/dbraw/zinc/27/32/07/883273207.db2.gz XVORZYIYUZXBPN-FQEVSTJZSA-N 0 1 414.933 4.412 20 0 HIADMN Cc1ccc(CN(C(=O)CN2[C@@H](C)CC[C@@H]2C)c2ccc3c(c2)OCCO3)s1 ZINC000469188530 883287895 /nfs/dbraw/zinc/28/78/95/883287895.db2.gz XNRIHNZHDUKYHU-HOTGVXAUSA-N 0 1 400.544 4.234 20 0 HIADMN Cc1[nH]c(S(=O)(=O)Cc2sccc2Br)nc1Cc1ccccc1 ZINC000503603343 912695554 /nfs/dbraw/zinc/69/55/54/912695554.db2.gz RWMHHNRFVZOLFG-UHFFFAOYSA-N 0 1 411.346 4.107 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)c3cccc(OCc4cccnc4)c3)cccc21 ZINC000469297813 883394976 /nfs/dbraw/zinc/39/49/76/883394976.db2.gz XEVVRWBBFNQVLE-QFIPXVFZSA-N 0 1 403.482 4.298 20 0 HIADMN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000469298022 883395897 /nfs/dbraw/zinc/39/58/97/883395897.db2.gz JKHSDUCAVBYPKE-QWQRMKEZSA-N 0 1 412.361 4.186 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)Cc3ccc(F)c(Br)c3)cccc21 ZINC000469318054 883421415 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Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)[C@@H](C)c2ccccc2Br)n[nH]1 ZINC000503622434 912720769 /nfs/dbraw/zinc/72/07/69/912720769.db2.gz NTIFTOWNVVEKFG-LBPRGKRZSA-N 0 1 416.323 4.023 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000469407831 883576847 /nfs/dbraw/zinc/57/68/47/883576847.db2.gz KLYKWLFSWXQXHC-FUHWJXTLSA-N 0 1 414.500 4.084 20 0 HIADMN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)[C@@H]1CCCc2[nH]cnc21 ZINC000469446855 883642219 /nfs/dbraw/zinc/64/22/19/883642219.db2.gz UKGFXLMHINUTMD-OAQYLSRUSA-N 0 1 411.509 4.058 20 0 HIADMN CCN(C(=O)c1cc(F)cc2nn[nH]c21)[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000503632446 912732663 /nfs/dbraw/zinc/73/26/63/912732663.db2.gz BMWFETVRSRNJLR-FQEVSTJZSA-N 0 1 409.852 4.397 20 0 HIADMN CCC(=O)Nc1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000469451648 883653446 /nfs/dbraw/zinc/65/34/46/883653446.db2.gz DMLGBUNZQJSUQO-SFHVURJKSA-N 0 1 422.451 4.478 20 0 HIADMN O=C(CN1CCC(Cc2ccc(F)c(F)c2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000469453441 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1 419.447 4.157 20 0 HIADMN Cc1c2cc(C)ccc2sc1C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000469499344 883743554 /nfs/dbraw/zinc/74/35/54/883743554.db2.gz IRWDGJCJCITCLC-UHFFFAOYSA-N 0 1 423.582 4.397 20 0 HIADMN CN(C)[C@@H](CNC(=O)CCCc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000469501678 883746562 /nfs/dbraw/zinc/74/65/62/883746562.db2.gz NJWKAAHRNPZHTG-IBGZPJMESA-N 0 1 418.463 4.324 20 0 HIADMN CCO[C@H](C)c1ncc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000469507289 883760253 /nfs/dbraw/zinc/76/02/53/883760253.db2.gz VBKXFKFZUKUUHZ-DOMZBBRYSA-N 0 1 415.481 4.292 20 0 HIADMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]cnc21)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000469511216 883769538 /nfs/dbraw/zinc/76/95/38/883769538.db2.gz YGGLMUNYLTZIOG-HNAYVOBHSA-N 0 1 403.486 4.351 20 0 HIADMN Cc1nnc(SCC(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)[nH]1 ZINC000469621152 883837921 /nfs/dbraw/zinc/83/79/21/883837921.db2.gz LOESTAXNJHNOOL-QGZVFWFLSA-N 0 1 408.861 4.043 20 0 HIADMN Cc1n[nH]c(SCC(=O)N[C@H](c2ccccc2Cl)c2cc(F)ccc2F)n1 ZINC000469621152 883837922 /nfs/dbraw/zinc/83/79/22/883837922.db2.gz LOESTAXNJHNOOL-QGZVFWFLSA-N 0 1 408.861 4.043 20 0 HIADMN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)CCSc2nnc(C)[nH]2)c1 ZINC000469720515 883885784 /nfs/dbraw/zinc/88/57/84/883885784.db2.gz NQSVJUMZOUBAOU-NRFANRHFSA-N 0 1 424.570 4.321 20 0 HIADMN CCCn1ncc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C1CC1 ZINC000469745312 883900772 /nfs/dbraw/zinc/90/07/72/883900772.db2.gz LWOIJYRFMMQIFR-GOSISDBHSA-N 0 1 408.468 4.222 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc4nc(C)sc4c3)CCN2C2CC2)c1 ZINC000469749990 883910114 /nfs/dbraw/zinc/91/01/14/883910114.db2.gz CWYDRYCIMWGGQC-IFMALSPDSA-N 0 1 407.539 4.321 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N(Cc1ccccc1)CC(F)F ZINC000469758833 883923945 /nfs/dbraw/zinc/92/39/45/883923945.db2.gz ZRPFDDVGUWIBGF-UHFFFAOYSA-N 0 1 405.464 4.267 20 0 HIADMN CC(C)c1nc([C@H](C)NCCCNC(=O)c2ccc(Br)cc2)cs1 ZINC000469778466 883953673 /nfs/dbraw/zinc/95/36/73/883953673.db2.gz DJCJSYFWSAJEDF-ZDUSSCGKSA-N 0 1 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ZINC000469906438 884096520 /nfs/dbraw/zinc/09/65/20/884096520.db2.gz LAKNPXGOXMNUNQ-QHCPKHFHSA-N 0 1 419.594 4.209 20 0 HIADMN O=c1cc(CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2ccc(Cl)cn12 ZINC000470003094 884218734 /nfs/dbraw/zinc/21/87/34/884218734.db2.gz JNNWYNAPXBWSLF-OAHLLOKOSA-N 0 1 424.715 4.308 20 0 HIADMN O=C(NCc1cccc(-c2ccccn2)c1)c1cc(Br)cc2nc[nH]c21 ZINC000503693408 912799648 /nfs/dbraw/zinc/79/96/48/912799648.db2.gz ASJHJSDSOLHAKZ-UHFFFAOYSA-N 0 1 407.271 4.317 20 0 HIADMN C[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccccc1-n1cccn1 ZINC000503718701 912807985 /nfs/dbraw/zinc/80/79/85/912807985.db2.gz RMIQDSZLQJRBHR-GFCCVEGCSA-N 0 1 410.275 4.002 20 0 HIADMN O=C(CCc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503737908 912812790 /nfs/dbraw/zinc/81/27/90/912812790.db2.gz JISDVYFWMMVLGM-FQEVSTJZSA-N 0 1 413.481 4.022 20 0 HIADMN O=C(CCc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503737908 912812800 /nfs/dbraw/zinc/81/28/00/912812800.db2.gz JISDVYFWMMVLGM-FQEVSTJZSA-N 0 1 413.481 4.022 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000470077226 884334397 /nfs/dbraw/zinc/33/43/97/884334397.db2.gz VMEOHAUXUIUKKP-XPNTWCBSSA-N 0 1 411.546 4.335 20 0 HIADMN CN(C)[C@@H](CNC(=O)NCc1cc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000470080329 884337408 /nfs/dbraw/zinc/33/74/08/884337408.db2.gz IOSNKHWOKQXIJU-IBGZPJMESA-N 0 1 404.436 4.289 20 0 HIADMN CCO[C@@H](CCNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1)C(C)C ZINC000470189640 884487321 /nfs/dbraw/zinc/48/73/21/884487321.db2.gz YHZYHINNGASMED-KRWDZBQOSA-N 0 1 424.588 4.038 20 0 HIADMN CC[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC[C@H]1c1ccccc1 ZINC000470192900 884496803 /nfs/dbraw/zinc/49/68/03/884496803.db2.gz HUAZDJXFQDJJDT-RCZVLFRGSA-N 0 1 405.586 4.090 20 0 HIADMN CO[C@@H](C)c1nc(CN2CCCN(CCOc3cccc(Cl)c3)CC2)cs1 ZINC000470207156 884524356 /nfs/dbraw/zinc/52/43/56/884524356.db2.gz NERKMAPDONZBHW-INIZCTEOSA-N 0 1 409.983 4.091 20 0 HIADMN 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Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000472082884 886883588 /nfs/dbraw/zinc/88/35/88/886883588.db2.gz JGBJZCOQCNZNDE-OAHLLOKOSA-N 0 1 410.543 4.270 20 0 HIADMN CCNC(=O)COc1ccc(CNC(C)(C)c2cccc(Cl)c2F)cc1OC ZINC000472127665 886917501 /nfs/dbraw/zinc/91/75/01/886917501.db2.gz HJIBDCGOZHAZMK-UHFFFAOYSA-N 0 1 408.901 4.028 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1c(F)ccc(OC)c1OC)c1ccccc1Cl ZINC000472139559 886933655 /nfs/dbraw/zinc/93/36/55/886933655.db2.gz DKKUZECBQAFWPB-KRWDZBQOSA-N 0 1 408.901 4.309 20 0 HIADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000472188972 886988513 /nfs/dbraw/zinc/98/85/13/886988513.db2.gz NFPZVTWMAOBKTB-UHFFFAOYSA-N 0 1 418.428 4.451 20 0 HIADMN CC[C@H]1CN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC[C@H]1c1ccccc1 ZINC000472238553 887045688 /nfs/dbraw/zinc/04/56/88/887045688.db2.gz GKOAZACIFHHETB-JTHBVZDNSA-N 0 1 421.585 4.182 20 0 HIADMN CCOCc1cccc(NC(=O)N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000472306112 887131666 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HIADMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)NCc1ccc(OC(F)F)cc1 ZINC000477434587 892385631 /nfs/dbraw/zinc/38/56/31/892385631.db2.gz DTGYRJRKYJCKAJ-UHFFFAOYSA-N 0 1 414.374 4.202 20 0 HIADMN C[C@@H](Cc1c(F)cccc1F)NC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477461691 892425927 /nfs/dbraw/zinc/42/59/27/892425927.db2.gz CEOYIKCDBPAPCV-ZDUSSCGKSA-N 0 1 412.402 4.310 20 0 HIADMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCCC1)Nc1c(F)cccc1F ZINC000477488000 892484557 /nfs/dbraw/zinc/48/45/57/892484557.db2.gz WNVMRXBJBFFFOE-UHFFFAOYSA-N 0 1 402.441 4.467 20 0 HIADMN C[C@H](C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cn(C)c2ccccc12 ZINC000477502567 892509407 /nfs/dbraw/zinc/50/94/07/892509407.db2.gz WBZAGGNHLOYTOI-HKUYNNGSSA-N 0 1 413.525 4.473 20 0 HIADMN O=C(CNC1(c2ccc(Br)cc2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000477536350 892572032 /nfs/dbraw/zinc/57/20/32/892572032.db2.gz LDXRADQHQXKDET-UHFFFAOYSA-N 0 1 411.246 4.268 20 0 HIADMN Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H](C)c4n[nH]c(C(C)C)n4)cc3)o2)cc1 ZINC000477541454 892580047 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HIADMN CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccco1 ZINC000498850146 908255411 /nfs/dbraw/zinc/25/54/11/908255411.db2.gz IUTKIDFRDRQYJC-RCCFBDPRSA-N 0 1 405.336 4.345 20 0 HIADMN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000498853056 908256357 /nfs/dbraw/zinc/25/63/57/908256357.db2.gz WITKGNYTUXBNRF-OAQYLSRUSA-N 0 1 424.545 4.173 20 0 HIADMN O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498887531 908289273 /nfs/dbraw/zinc/28/92/73/908289273.db2.gz QDBFVMCZNBGINR-ZDUSSCGKSA-N 0 1 409.317 4.164 20 0 HIADMN COc1cccc(Nc2ccccc2C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000498888370 908291234 /nfs/dbraw/zinc/29/12/34/908291234.db2.gz CNTNLNMTKBBNNT-QGZVFWFLSA-N 0 1 417.513 4.454 20 0 HIADMN O=C(Nc1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1ccsc1 ZINC000498890539 908295116 /nfs/dbraw/zinc/29/51/16/908295116.db2.gz JEJHFDIQWPWHCL-HNNXBMFYSA-N 0 1 421.526 4.016 20 0 HIADMN O=C(CSc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498892739 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AHONPGOOXHWNHV-SFHVURJKSA-N 0 1 420.513 4.491 20 0 HIADMN COC(=O)C1CCN(CCCNc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000498895178 908302343 /nfs/dbraw/zinc/30/23/43/908302343.db2.gz WEDJUTIBFJNGSI-UHFFFAOYSA-N 0 1 401.454 4.002 20 0 HIADMN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498895898 908302502 /nfs/dbraw/zinc/30/25/02/908302502.db2.gz YLJBIYCGPPVGPU-VNQPRFMTSA-N 0 1 404.436 4.211 20 0 HIADMN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498901573 908309365 /nfs/dbraw/zinc/30/93/65/908309365.db2.gz RSQGHBJUYOTVQV-YPMHNXCESA-N 0 1 409.317 4.162 20 0 HIADMN O=C(N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000498902499 908310283 /nfs/dbraw/zinc/31/02/83/908310283.db2.gz YNVFMSUCHBRTSW-ZDUSSCGKSA-N 0 1 405.329 4.427 20 0 HIADMN O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1)c1cccs1 ZINC000498903903 908312769 /nfs/dbraw/zinc/31/27/69/908312769.db2.gz OJBXLEKZHULXRA-MRXNPFEDSA-N 0 1 421.526 4.016 20 0 HIADMN C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498935717 908344012 /nfs/dbraw/zinc/34/40/12/908344012.db2.gz ADAOXGFDDNAPLL-QKLQHJQFSA-N 0 1 417.557 4.281 20 0 HIADMN CC[C@@H](C)Sc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)N(C)C)c(C)c1 ZINC000498964484 908359586 /nfs/dbraw/zinc/35/95/86/908359586.db2.gz UQLBRSIAPDQMJO-DYESRHJHSA-N 0 1 413.587 4.243 20 0 HIADMN COc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000499026418 908402386 /nfs/dbraw/zinc/40/23/86/908402386.db2.gz ONWGJKIDDADDME-HNNXBMFYSA-N 0 1 410.783 4.005 20 0 HIADMN C[C@@H](NC(=O)CN(Cc1cccc(O)c1)CC1CC1)c1ccc(Br)cc1 ZINC000499075582 908440006 /nfs/dbraw/zinc/44/00/06/908440006.db2.gz KKNVKVZCMVBLQQ-OAHLLOKOSA-N 0 1 417.347 4.244 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@H](c1cccc(F)c1)c1ccccn1)c1cccc(F)c1 ZINC000499086448 908449964 /nfs/dbraw/zinc/44/99/64/908449964.db2.gz YWXKFDZFSMJGPS-FCHUYYIVSA-N 0 1 410.468 4.051 20 0 HIADMN CCC(=O)c1ccc(OCCCCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000499090792 908453018 /nfs/dbraw/zinc/45/30/18/908453018.db2.gz HPLOUUJNZSJOIT-IBGZPJMESA-N 0 1 424.545 4.230 20 0 HIADMN O=C(Nc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)s1)Nc1ccccc1 ZINC000499132730 908489100 /nfs/dbraw/zinc/48/91/00/908489100.db2.gz ZOBGVXHOQBFCJL-SFHVURJKSA-N 0 1 418.482 4.030 20 0 HIADMN C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Br)cc1 ZINC000499136681 908493238 /nfs/dbraw/zinc/49/32/38/908493238.db2.gz YEDPJIREIMOFAJ-YJBOKZPZSA-N 0 1 405.336 4.489 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499172326 908523990 /nfs/dbraw/zinc/52/39/90/908523990.db2.gz DVIDEOXBHVRQSD-UHFFFAOYSA-N 0 1 412.582 4.367 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Nc2cnn(CC(C)C)c2C)CC1 ZINC000499176917 908530219 /nfs/dbraw/zinc/53/02/19/908530219.db2.gz PIPNZXCEBMPZFH-UHFFFAOYSA-N 0 1 418.973 4.287 20 0 HIADMN C[C@@H]1CN(C(=O)Nc2ccccc2C(=O)N2CCCC2)[C@H](C)CN1Cc1ccccc1 ZINC000499223870 908583154 /nfs/dbraw/zinc/58/31/54/908583154.db2.gz ATKJBSRTAPNOCE-WOJBJXKFSA-N 0 1 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C[C@H](N[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cnn(C2CCCC2)c1 ZINC000502464463 911453777 /nfs/dbraw/zinc/45/37/77/911453777.db2.gz SCLIKEWLGQVRFY-YOEHRIQHSA-N 0 1 406.452 4.473 20 0 HIADMN CCC(=O)c1cccc(S(=O)(=O)Nc2cccnc2Nc2ccc(OC)cc2)c1 ZINC000502491024 911489309 /nfs/dbraw/zinc/48/93/09/911489309.db2.gz GJNIJBRQFNWFMJ-UHFFFAOYSA-N 0 1 411.483 4.227 20 0 HIADMN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N3CCC(CCC(N)=O)CC3)ccc21 ZINC000502494402 911494514 /nfs/dbraw/zinc/49/45/14/911494514.db2.gz JFFLHKKAJALNND-QGZVFWFLSA-N 0 1 420.557 4.119 20 0 HIADMN Cc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)nn1-c1ccc(Cl)cc1Cl ZINC000513262322 921666681 /nfs/dbraw/zinc/66/66/81/921666681.db2.gz NSRLEERNELJEJS-KRWDZBQOSA-N 0 1 419.316 4.281 20 0 HIADMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 ZINC000513263570 921668265 /nfs/dbraw/zinc/66/82/65/921668265.db2.gz SSKBVJBNPJUQBQ-CYBMUJFWSA-N 0 1 417.229 4.262 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000502533496 911539894 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CCOc1cccc2cc([C@@H](C)N[C@@H](C)C(=O)NCCOc3cccc(C)c3)oc21 ZINC000514963140 922856354 /nfs/dbraw/zinc/85/63/54/922856354.db2.gz VCMRFWKGIMLUQU-MSOLQXFVSA-N 0 1 410.514 4.374 20 0 HIADMN CCc1ccc([C@H](COC)NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)o1 ZINC000514980014 922865454 /nfs/dbraw/zinc/86/54/54/922865454.db2.gz PQNGSLBLGIGXQB-IBGZPJMESA-N 0 1 413.543 4.060 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1 ZINC000515020290 922881164 /nfs/dbraw/zinc/88/11/64/922881164.db2.gz PSLOOGLZSRSRPW-UHFFFAOYSA-N 0 1 409.408 4.365 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)CSc3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000515035747 922886930 /nfs/dbraw/zinc/88/69/30/922886930.db2.gz IVNJXEYHOYFGOK-CALCHBBNSA-N 0 1 418.990 4.358 20 0 HIADMN O=C(N[C@H](c1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1)C1CC1)c1ccccc1 ZINC000515093088 922905791 /nfs/dbraw/zinc/90/57/91/922905791.db2.gz AOPHFQJMVGNNJR-IBGZPJMESA-N 0 1 403.417 4.147 20 0 HIADMN Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C(C)C ZINC000515097362 922910492 /nfs/dbraw/zinc/91/04/92/922910492.db2.gz KILGEQZOGOZNEP-UGKGYDQZSA-N 0 1 424.545 4.051 20 0 HIADMN CN(C)c1cc(Cl)cc(Cl)c1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000515099633 922911977 /nfs/dbraw/zinc/91/19/77/922911977.db2.gz LUEKSHZKYWSVNC-CQSZACIVSA-N 0 1 404.345 4.482 20 0 HIADMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)Nc1ccc2c(c1)CCC(=O)N2 ZINC000515170745 922966371 /nfs/dbraw/zinc/96/63/71/922966371.db2.gz ZQKZQIRZHRMFEI-FQEVSTJZSA-N 0 1 412.921 4.183 20 0 HIADMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1ccccc1Br ZINC000515177705 922970053 /nfs/dbraw/zinc/97/00/53/922970053.db2.gz PDVPNSWSQHSRKZ-KHPPLWFESA-N 0 1 415.316 4.468 20 0 HIADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccsc1 ZINC000515279485 923031765 /nfs/dbraw/zinc/03/17/65/923031765.db2.gz PCUDFPSWAAZIMN-MRXNPFEDSA-N 0 1 414.358 4.193 20 0 HIADMN COc1ccc(Cl)cc1CN(C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000515290337 923038175 /nfs/dbraw/zinc/03/81/75/923038175.db2.gz LNVXIPILJFEBFK-GOSISDBHSA-N 0 1 405.926 4.310 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCCN3c3ncnc4sc(C)cc43)c2C)o1 ZINC000515506758 923141607 /nfs/dbraw/zinc/14/16/07/923141607.db2.gz HBKKPSDUNXEZAQ-HNNXBMFYSA-N 0 1 422.514 4.207 20 0 HIADMN CCCCCNC(=O)C1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000515547303 923167926 /nfs/dbraw/zinc/16/79/26/923167926.db2.gz UCOSQOVZTOXMTH-DEOSSOPVSA-N 0 1 421.585 4.063 20 0 HIADMN COc1ccccc1CN(C[C@H](O)COc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000515546173 923168129 /nfs/dbraw/zinc/16/81/29/923168129.db2.gz MTLBCKMUFOZCHD-XZOQPEGZSA-N 0 1 421.537 4.269 20 0 HIADMN COc1ccc([C@@H](CNc2ncc(C(=O)N(C)C)cc2Cl)N2CCCCC2)cc1 ZINC000515607460 923212055 /nfs/dbraw/zinc/21/20/55/923212055.db2.gz NMKAQQPPJFZBTI-HXUWFJFHSA-N 0 1 416.953 4.085 20 0 HIADMN CC(C)C(=O)N1CCC(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)CC1 ZINC000515611715 923215873 /nfs/dbraw/zinc/21/58/73/923215873.db2.gz QUMICGIMDXLCRK-UHFFFAOYSA-N 0 1 408.477 4.202 20 0 HIADMN COc1cc([C@H](C)N[C@H](C)C(=O)Nc2cccc(F)c2)ccc1OCc1ccncc1 ZINC000515717660 923300156 /nfs/dbraw/zinc/30/01/56/923300156.db2.gz RWAHVYWQKMMORU-DLBZAZTESA-N 0 1 423.488 4.486 20 0 HIADMN CCC(CC)[C@@H](CNC(=O)N[C@H](CC(F)(F)F)c1ccccc1)N1CCOCC1 ZINC000515763737 923334109 /nfs/dbraw/zinc/33/41/09/923334109.db2.gz NPDUMNLSLBIWEY-RTBURBONSA-N 0 1 415.500 4.116 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)ccc2c1 ZINC000515791013 923351752 /nfs/dbraw/zinc/35/17/52/923351752.db2.gz ZEVJKKMTZXEBGP-QHCPKHFHSA-N 0 1 409.505 4.432 20 0 HIADMN COc1ccccc1CN(C(=O)NC[C@H](c1ccccc1OC)N1CCCC1)C1CC1 ZINC000515843748 923387231 /nfs/dbraw/zinc/38/72/31/923387231.db2.gz SSHSBSPGOLMCGF-JOCHJYFZSA-N 0 1 423.557 4.215 20 0 HIADMN COc1ccc2ccccc2c1CNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000515849412 923393555 /nfs/dbraw/zinc/39/35/55/923393555.db2.gz LMNSDTXPUAPONU-UHFFFAOYSA-N 0 1 421.516 4.451 20 0 HIADMN CC1(C)CN(CC2CN(C(=O)c3cc(-c4ccoc4)[nH]n3)C2)c2cc(C3CC3)ccc21 ZINC000515872065 923403852 /nfs/dbraw/zinc/40/38/52/923403852.db2.gz DFLXYYBLUUEGGP-UHFFFAOYSA-N 0 1 416.525 4.417 20 0 HIADMN O=C(Cn1ccc2ccccc21)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000516009710 923499796 /nfs/dbraw/zinc/49/97/96/923499796.db2.gz DBCLQAGCBGEANK-UHFFFAOYSA-N 0 1 404.514 4.095 20 0 HIADMN C[C@@H]1CN(CCCNC(=O)Nc2ccccc2Oc2cccc(F)c2)C[C@H](C)O1 ZINC000516072409 923529423 /nfs/dbraw/zinc/52/94/23/923529423.db2.gz KZRKWIWHSZUYNV-CALCHBBNSA-N 0 1 401.482 4.239 20 0 HIADMN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000516107548 923545684 /nfs/dbraw/zinc/54/56/84/923545684.db2.gz QJRBCMJILLKOQK-CQSZACIVSA-N 0 1 402.429 4.126 20 0 HIADMN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000516119341 923554936 /nfs/dbraw/zinc/55/49/36/923554936.db2.gz IRWBPAVRQDSSFD-CYBMUJFWSA-N 0 1 421.448 4.155 20 0 HIADMN CO[C@H]1CCOc2c(NC(=O)NC[C@H](c3ccc(Cl)cc3)N(C)C)cccc21 ZINC000516146162 923574593 /nfs/dbraw/zinc/57/45/93/923574593.db2.gz WXSMHEXWNFYJGF-MOPGFXCFSA-N 0 1 403.910 4.234 20 0 HIADMN COc1ccccc1CN(C)C(=O)CN(Cc1cccc(Br)c1)C(C)C ZINC000516309653 923658935 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CCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000519896387 928130823 /nfs/dbraw/zinc/13/08/23/928130823.db2.gz MEYKHQQILMHPRI-SFTDATJTSA-N 0 1 409.574 4.336 20 0 HIADMN O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)[C@H]1CCCN1Cc1ccccc1 ZINC000519910757 928143759 /nfs/dbraw/zinc/14/37/59/928143759.db2.gz KANVVSATEDAQCC-LEWJYISDSA-N 0 1 400.469 4.446 20 0 HIADMN CN(C)[C@H](CNC(=O)CCc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1 ZINC000519930031 928163666 /nfs/dbraw/zinc/16/36/66/928163666.db2.gz MNPPBCOKZCDWJC-QGZVFWFLSA-N 0 1 405.926 4.441 20 0 HIADMN CCN(CC)[C@H](CNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000519945703 928179279 /nfs/dbraw/zinc/17/92/79/928179279.db2.gz CIKUHUSSWLLHRU-GOSISDBHSA-N 0 1 400.466 4.067 20 0 HIADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N[C@H](C)c2ccc3ccccc3c2)C1 ZINC000519989264 928215704 /nfs/dbraw/zinc/21/57/04/928215704.db2.gz KSGQISXPQFQBNZ-YCRNBWNJSA-N 0 1 409.574 4.034 20 0 HIADMN CC(C)CCOC1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 ZINC000520042638 928267189 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CN(Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000520368089 928524364 /nfs/dbraw/zinc/52/43/64/928524364.db2.gz SGSHFOBUKNNLGT-QHCPKHFHSA-N 0 1 420.582 4.378 20 0 HIADMN CN(CC1CCCCC1)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000520400184 928547821 /nfs/dbraw/zinc/54/78/21/928547821.db2.gz KGLKQSMBCFUJCR-UHFFFAOYSA-N 0 1 423.380 4.365 20 0 HIADMN CCn1c2ccccc2nc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000520453722 928573414 /nfs/dbraw/zinc/57/34/14/928573414.db2.gz GPJCMAPZNMIRJD-UHFFFAOYSA-N 0 1 410.275 4.461 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccco1 ZINC000520506191 928606967 /nfs/dbraw/zinc/60/69/67/928606967.db2.gz VUIYVFSFKIABHG-QFIPXVFZSA-N 0 1 419.525 4.369 20 0 HIADMN CC1(C)CN(C(=O)CCCc2nc(-c3cccs3)no2)CCN1Cc1ccccc1 ZINC000520526647 928618411 /nfs/dbraw/zinc/61/84/11/928618411.db2.gz FZJQEMLWDUQQNY-UHFFFAOYSA-N 0 1 424.570 4.244 20 0 HIADMN Cc1cc(Sc2ncccn2)ccc1NC(=O)NCCN1CCc2ccccc2C1 ZINC000520573056 928648465 /nfs/dbraw/zinc/64/84/65/928648465.db2.gz BFLHKAZGLQWMOC-UHFFFAOYSA-N 0 1 419.554 4.116 20 0 HIADMN Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000520584039 928654902 /nfs/dbraw/zinc/65/49/02/928654902.db2.gz SGEFGLNXKCQFGN-GOSISDBHSA-N 0 1 413.522 4.290 20 0 HIADMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000520600817 928665305 /nfs/dbraw/zinc/66/53/05/928665305.db2.gz PSONNJGPTCIIMR-ZBFHGGJFSA-N 0 1 424.467 4.272 20 0 HIADMN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2c(F)cccc2F)C2CCCC2)cc1 ZINC000520605213 928670593 /nfs/dbraw/zinc/67/05/93/928670593.db2.gz MWAYODOIJTYVBG-IBGZPJMESA-N 0 1 418.484 4.108 20 0 HIADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000520700787 928746535 /nfs/dbraw/zinc/74/65/35/928746535.db2.gz PNKBHOKNLIVDTP-UHFFFAOYSA-N 0 1 413.923 4.201 20 0 HIADMN O=C(NCCc1ccc(F)cc1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000520701699 928748545 /nfs/dbraw/zinc/74/85/45/928748545.db2.gz AJCPYKHTYALHFK-UHFFFAOYSA-N 0 1 403.929 4.233 20 0 HIADMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cccc(CCCc4ccccc4)c3)C2)CC1 ZINC000520745218 928795898 /nfs/dbraw/zinc/79/58/98/928795898.db2.gz YIEFKAORYATIRF-RUZDIDTESA-N 0 1 420.601 4.106 20 0 HIADMN COCc1c2ccccc2oc1C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000520869232 928852068 /nfs/dbraw/zinc/85/20/68/928852068.db2.gz VJMYOFXSOJBLPN-UHFFFAOYSA-N 0 1 414.546 4.123 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1ccccc1Br)c1ccco1 ZINC000520878633 928857298 /nfs/dbraw/zinc/85/72/98/928857298.db2.gz JUUFEJZQRIUEMP-KRWDZBQOSA-N 0 1 408.340 4.267 20 0 HIADMN COc1cccc2c(C(=O)Nc3nnc([C@H]4CCCc5ccccc54)s3)n[nH]c21 ZINC000520895172 928864555 /nfs/dbraw/zinc/86/45/55/928864555.db2.gz WYGVLMPWYMCDHU-AWEZNQCLSA-N 0 1 405.483 4.144 20 0 HIADMN COCCN(C(=O)c1c[nH]c2ccccc2c1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521174337 929043830 /nfs/dbraw/zinc/04/38/30/929043830.db2.gz FJUCLSDVQBGNAW-AWEZNQCLSA-N 0 1 418.415 4.397 20 0 HIADMN CCCN(CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1ccc(F)cc1 ZINC000521195506 929055200 /nfs/dbraw/zinc/05/52/00/929055200.db2.gz CKVLHKXWIAOLNX-JOCHJYFZSA-N 0 1 414.521 4.419 20 0 HIADMN C[C@@H](CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)N1CCc2ccccc2C1 ZINC000521239536 929074832 /nfs/dbraw/zinc/07/48/32/929074832.db2.gz NZOOENMSQTVYPY-HOTGVXAUSA-N 0 1 400.592 4.248 20 0 HIADMN O=C(NC[C@H]1CCOc2ccccc21)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000521303291 929113732 /nfs/dbraw/zinc/11/37/32/929113732.db2.gz BEUVRIFVJVQCRT-GOSISDBHSA-N 0 1 413.949 4.170 20 0 HIADMN COc1ccc(CN(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C2CC2)cc1 ZINC000521304384 929113887 /nfs/dbraw/zinc/11/38/87/929113887.db2.gz XGGKILQNJQPEFY-SBUREZEXSA-N 0 1 413.537 4.447 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000521370665 929189009 /nfs/dbraw/zinc/18/90/09/929189009.db2.gz AZOHBZOQXSUOAI-QZTJIDSGSA-N 0 1 404.341 4.273 20 0 HIADMN Cc1nc([C@H]2CCCOC2)sc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000521415001 929211072 /nfs/dbraw/zinc/21/10/72/929211072.db2.gz WPCLFEVLUXQTLB-RDJZCZTQSA-N 0 1 407.967 4.032 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccco1 ZINC000521487806 929246638 /nfs/dbraw/zinc/24/66/38/929246638.db2.gz FQKZZWSPRFDPLK-QGZVFWFLSA-N 0 1 404.308 4.336 20 0 HIADMN CC(=O)c1ccc(-c2ccc(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)o2)cc1 ZINC000521558932 929295581 /nfs/dbraw/zinc/29/55/81/929295581.db2.gz NOAFTVDZHXMNKP-UHFFFAOYSA-N 0 1 404.401 4.003 20 0 HIADMN CC(=O)c1ccc(-c2ccc(C(=O)NCc3n[nH]c(-c4ccc(F)cc4)n3)o2)cc1 ZINC000521558932 929295599 /nfs/dbraw/zinc/29/55/99/929295599.db2.gz NOAFTVDZHXMNKP-UHFFFAOYSA-N 0 1 404.401 4.003 20 0 HIADMN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000521632743 929335798 /nfs/dbraw/zinc/33/57/98/929335798.db2.gz IXVFIIRIMBPUCR-UHFFFAOYSA-N 0 1 412.389 4.083 20 0 HIADMN CC[C@@H]1c2ccsc2CCN1C(=O)CN(CCCc1ccccc1)CCOC ZINC000521685660 929365250 /nfs/dbraw/zinc/36/52/50/929365250.db2.gz CTBPEDGUDZPLIB-OAQYLSRUSA-N 0 1 400.588 4.165 20 0 HIADMN CC(C)(C)c1noc(CCCC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)n1 ZINC000521694541 929369973 /nfs/dbraw/zinc/36/99/73/929369973.db2.gz GMWQNYFHVODHPH-UHFFFAOYSA-N 0 1 410.522 4.411 20 0 HIADMN COc1ccc(C(=O)C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1Cl ZINC000521698025 929372126 /nfs/dbraw/zinc/37/21/26/929372126.db2.gz CSCRLRAWZHQGDK-UHFFFAOYSA-N 0 1 406.829 4.108 20 0 HIADMN CCCN1CCN(C(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000521752524 929413300 /nfs/dbraw/zinc/41/33/00/929413300.db2.gz GARZVUILYGLGGT-UHFFFAOYSA-N 0 1 410.905 4.225 20 0 HIADMN COc1ccc(CN(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C2CC2)cc1 ZINC000521784135 929444342 /nfs/dbraw/zinc/44/43/42/929444342.db2.gz AOFAHMLQHPBLNL-UZUQRXQVSA-N 0 1 413.537 4.447 20 0 HIADMN CCCN(C(=O)NC1CCN(Cc2ccccn2)CC1)[C@H](C)c1ccccc1OC ZINC000521787989 929447106 /nfs/dbraw/zinc/44/71/06/929447106.db2.gz ZWOLIMDQJAGYKI-LJQANCHMSA-N 0 1 410.562 4.237 20 0 HIADMN COc1ccc(Br)cc1CN[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000521840265 929493602 /nfs/dbraw/zinc/49/36/02/929493602.db2.gz JPRAORSZNDTCDD-CQSZACIVSA-N 0 1 409.711 4.006 20 0 HIADMN CC(C)(O)CN1CCN(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2)CC1 ZINC000521854368 929505306 /nfs/dbraw/zinc/50/53/06/929505306.db2.gz CMBYPUKWJPYJBO-UHFFFAOYSA-N 0 1 403.910 4.053 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(S[C@@H]3CCN(c4ccccc4Cl)C3=O)n2)o1 ZINC000521958260 929594985 /nfs/dbraw/zinc/59/49/85/929594985.db2.gz VRYCPWSNHAEHNK-ROJDOSBLSA-N 0 1 400.891 4.428 20 0 HIADMN CN(C)[C@H](CNC(=O)c1nc2ccccc2cc1Br)c1cccs1 ZINC000522029941 929624040 /nfs/dbraw/zinc/62/40/40/929624040.db2.gz XUAILUOIQROFQB-OAHLLOKOSA-N 0 1 404.333 4.092 20 0 HIADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000524480228 929631006 /nfs/dbraw/zinc/63/10/06/929631006.db2.gz TUDIICVHRPNNTP-QFIPXVFZSA-N 0 1 413.521 4.073 20 0 HIADMN CN(C)C(=O)c1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000524500614 929647940 /nfs/dbraw/zinc/64/79/40/929647940.db2.gz BYYVFBCPFCQTEF-UHFFFAOYSA-N 0 1 411.465 4.093 20 0 HIADMN COc1ccc(CCNC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1F ZINC000524541136 929672583 /nfs/dbraw/zinc/67/25/83/929672583.db2.gz ZJVUZEHRHSPUGE-FQEVSTJZSA-N 0 1 419.928 4.167 20 0 HIADMN Cc1ccc(Cc2nnc(NC(=O)NC[C@@H](c3ccc(F)cc3)N(C)C)s2)cc1 ZINC000524565741 929692074 /nfs/dbraw/zinc/69/20/74/929692074.db2.gz HCWQNKUVFCACRP-SFHVURJKSA-N 0 1 413.522 4.001 20 0 HIADMN CN(CCCC(=O)OC(C)(C)C)CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000524597747 929706222 /nfs/dbraw/zinc/70/62/22/929706222.db2.gz OQUBXTMEDYEDOX-UHFFFAOYSA-N 0 1 403.350 4.006 20 0 HIADMN COCCN1CC[C@H](NC(=O)[C@H](Sc2ccccc2Cl)c2ccccc2)C1 ZINC000524607481 929716945 /nfs/dbraw/zinc/71/69/45/929716945.db2.gz FJBPNSHPBAFKHN-FXAWDEMLSA-N 0 1 404.963 4.010 20 0 HIADMN COc1ccc(Cn2cc(C(=O)N3CCC[C@H]3c3nc4ccc(C)cc4[nH]3)cn2)cc1 ZINC000524624883 929733097 /nfs/dbraw/zinc/73/30/97/929733097.db2.gz LCMJVPUYAUFOMH-QFIPXVFZSA-N 0 1 415.497 4.102 20 0 HIADMN COc1ccc(Cn2cc(C(=O)N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)cn2)cc1 ZINC000524624882 929733840 /nfs/dbraw/zinc/73/38/40/929733840.db2.gz LCMJVPUYAUFOMH-JOCHJYFZSA-N 0 1 415.497 4.102 20 0 HIADMN CCCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000524626507 929734911 /nfs/dbraw/zinc/73/49/11/929734911.db2.gz KQNLJTRVJUGUSO-PKTZIBPZSA-N 0 1 405.542 4.477 20 0 HIADMN NC(=O)c1cccc(Oc2ccc(NC(=O)c3cn[nH]c3-c3ccc(F)cc3)cc2)c1 ZINC000524637222 929747729 /nfs/dbraw/zinc/74/77/29/929747729.db2.gz RBPODUYFSGVGMV-UHFFFAOYSA-N 0 1 416.412 4.359 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccco1 ZINC000524660296 929774562 /nfs/dbraw/zinc/77/45/62/929774562.db2.gz WWBORZFXCPAHFE-JTHBVZDNSA-N 0 1 406.530 4.279 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccn(-c4ccc(F)cc4)n3)[nH]c2c1 ZINC000524668076 929782664 /nfs/dbraw/zinc/78/26/64/929782664.db2.gz UVAUKEPBGGBWOI-NRFANRHFSA-N 0 1 403.461 4.102 20 0 HIADMN COc1cc2c(c(CN[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)c1)O[C@@H](C)C2 ZINC000524686882 929798925 /nfs/dbraw/zinc/79/89/25/929798925.db2.gz OTKDALSYOKQNRO-UUOWRZLLSA-N 0 1 416.521 4.358 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCc3c(Cl)cccc3C2)N2CCCC2)cc1 ZINC000524805962 929836393 /nfs/dbraw/zinc/83/63/93/929836393.db2.gz CPCRBYPNLBFATC-QFIPXVFZSA-N 0 1 413.949 4.253 20 0 HIADMN CCOC(=O)CCc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000524826874 929847635 /nfs/dbraw/zinc/84/76/35/929847635.db2.gz XMCJXCYSSBDUQO-FQEVSTJZSA-N 0 1 413.518 4.124 20 0 HIADMN CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)cc1OCC ZINC000524852020 929858611 /nfs/dbraw/zinc/85/86/11/929858611.db2.gz GWYYFMIXMACZPO-UHFFFAOYSA-N 0 1 409.479 4.213 20 0 HIADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCC(=O)N1CCCc2ccccc21 ZINC000524887834 929874460 /nfs/dbraw/zinc/87/44/60/929874460.db2.gz UCFXGUGNXQKLCI-UHFFFAOYSA-N 0 1 422.960 4.271 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)N2CCCC2)c1 ZINC000525011944 929973037 /nfs/dbraw/zinc/97/30/37/929973037.db2.gz SUIPOVLKXFPYDW-ZVDOUQERSA-N 0 1 400.469 4.030 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)c1ccc(F)cc1 ZINC000525064429 930012194 /nfs/dbraw/zinc/01/21/94/930012194.db2.gz PSCSTHNSSROXIW-HXUWFJFHSA-N 0 1 424.520 4.497 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HIADMN CCN1CCN(c2ccccc2NC(=O)c2sc(Cc3ccccc3)nc2C)CC1 ZINC000032946029 848095394 /nfs/dbraw/zinc/09/53/94/848095394.db2.gz SVGDVMPVDSRPFU-UHFFFAOYSA-N 0 1 420.582 4.437 20 0 HIADMN Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)s2)o1 ZINC000033156411 848115168 /nfs/dbraw/zinc/11/51/68/848115168.db2.gz WMFNLSBXGKQKMZ-UHFFFAOYSA-N 0 1 410.543 4.332 20 0 HIADMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000033158303 848116448 /nfs/dbraw/zinc/11/64/48/848116448.db2.gz KSFQZNAXNUMUDG-UHFFFAOYSA-N 0 1 424.545 4.186 20 0 HIADMN CCn1c(CNC(=O)c2ccc(O)c(Cl)c2)nc2cc(Br)ccc21 ZINC000436611178 861869438 /nfs/dbraw/zinc/86/94/38/861869438.db2.gz VDKXHIVESBBEOS-UHFFFAOYSA-N 0 1 408.683 4.108 20 0 HIADMN COc1ccc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1OC ZINC000036735688 848158598 /nfs/dbraw/zinc/15/85/98/848158598.db2.gz ALYFDDGGBFFTCW-ZAHGZRRWSA-N 0 1 414.933 4.324 20 0 HIADMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc(Cc2ccccc2)ccc1O ZINC000436619112 861872623 /nfs/dbraw/zinc/87/26/23/861872623.db2.gz 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CCn1c(SCC(=O)C(C#N)c2nc3ccccc3o2)nnc1-c1cccc(C)c1 ZINC000041542455 848228585 /nfs/dbraw/zinc/22/85/85/848228585.db2.gz BIHURWHEJLRXGY-MRXNPFEDSA-N 0 1 417.494 4.383 20 0 HIADMN N#CC(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc(-c2ccccc2)cs1 ZINC000041537367 848228823 /nfs/dbraw/zinc/22/88/23/848228823.db2.gz LGNYKYOCHBEGGS-HNNXBMFYSA-N 0 1 418.446 4.296 20 0 HIADMN N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc(-c2ccccc2)cs1 ZINC000041537367 848228830 /nfs/dbraw/zinc/22/88/30/848228830.db2.gz LGNYKYOCHBEGGS-HNNXBMFYSA-N 0 1 418.446 4.296 20 0 HIADMN Cc1cc([C@H](C#N)C(=O)CSc2nccn2-c2ccc(C(C)C)cc2)nc(C)n1 ZINC000041560820 848233653 /nfs/dbraw/zinc/23/36/53/848233653.db2.gz IIBVPLLSLFSMSG-IBGZPJMESA-N 0 1 405.527 4.371 20 0 HIADMN Cc1cc([C@@H](C#N)C(=O)CSc2cc(C)c(Br)cc2C)nc(C)n1 ZINC000041562070 848234317 /nfs/dbraw/zinc/23/43/17/848234317.db2.gz KWYQUHQIONLIPO-CQSZACIVSA-N 0 1 404.333 4.441 20 0 HIADMN CCC(=O)c1ccc(O)c(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c1 ZINC000436647532 861881242 /nfs/dbraw/zinc/88/12/42/861881242.db2.gz JUVDYDSXMLYBLZ-UHFFFAOYSA-N 0 1 401.369 4.229 20 0 HIADMN CCC(=O)c1ccc(O)c(NC(=O)c2scc(C)c2I)c1 ZINC000436646732 861881330 /nfs/dbraw/zinc/88/13/30/861881330.db2.gz OZMIOHAEPSGUNO-UHFFFAOYSA-N 0 1 415.252 4.212 20 0 HIADMN CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(Br)cc1Br ZINC000041660060 848238392 /nfs/dbraw/zinc/23/83/92/848238392.db2.gz VYVJCUCOVWYTDS-QWRGUYRKSA-N 0 1 406.162 4.167 20 0 HIADMN C[C@]1(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)CCOC1 ZINC000436662479 861886774 /nfs/dbraw/zinc/88/67/74/861886774.db2.gz YWVIMRBUVLLQRW-IBGZPJMESA-N 0 1 409.269 4.316 20 0 HIADMN Cc1cc(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)on1 ZINC000041797712 848252253 /nfs/dbraw/zinc/25/22/53/848252253.db2.gz JLKDXHLEEWJZOV-IBGZPJMESA-N 0 1 411.527 4.435 20 0 HIADMN C[C@@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)CO1 ZINC000436657605 861883715 /nfs/dbraw/zinc/88/37/15/861883715.db2.gz JOTWDPQDBIUALG-GHMZBOCLSA-N 0 1 409.269 4.315 20 0 HIADMN O=C(CCc1c[nH]cn1)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC000436656382 861884330 /nfs/dbraw/zinc/88/43/30/861884330.db2.gz FZACXVYQCMDBDP-UHFFFAOYSA-N 0 1 419.268 4.246 20 0 HIADMN CCC[C@@](C)(O)C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC000436660281 861884695 /nfs/dbraw/zinc/88/46/95/861884695.db2.gz SBFYMDPZPNTUDQ-LJQANCHMSA-N 0 1 411.285 4.441 20 0 HIADMN CCC(=O)c1ccc(O)c(NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)c1 ZINC000436661134 861885984 /nfs/dbraw/zinc/88/59/84/861885984.db2.gz XGTTYRHWZGWIPG-UHFFFAOYSA-N 0 1 407.470 4.458 20 0 HIADMN C[C@H](C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1)n1cccn1 ZINC000436662328 861886510 /nfs/dbraw/zinc/88/65/10/861886510.db2.gz YMHSYUAEUREPBU-LLVKDONJSA-N 0 1 419.268 4.348 20 0 HIADMN C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cc2c(cc1Br)OCCO2 ZINC000436671135 861888962 /nfs/dbraw/zinc/88/89/62/861888962.db2.gz HTNFTZNXIFPQBF-SECBINFHSA-N 0 1 412.667 4.070 20 0 HIADMN CCOc1cccc2cc([C@H](C)N[C@@H](C)C(=O)Nc3cccc(NC(C)=O)c3)oc21 ZINC000042637562 848336212 /nfs/dbraw/zinc/33/62/12/848336212.db2.gz OCZQBRXBYCOCHK-GJZGRUSLSA-N 0 1 409.486 4.468 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2cc(Br)ccc2Cl)N(C)C)c1 ZINC000042674247 848343399 /nfs/dbraw/zinc/34/33/99/848343399.db2.gz HBPDLQPVXMGNDC-QGZVFWFLSA-N 0 1 411.727 4.144 20 0 HIADMN CCCNC(=O)C1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 ZINC000042686626 848343900 /nfs/dbraw/zinc/34/39/00/848343900.db2.gz CXHOZZUUHMXVCE-QHCPKHFHSA-N 0 1 403.526 4.330 20 0 HIADMN CC1(C)CN([C@H](CNC(=O)c2ccc(O)c(Cl)c2)c2ccc(Cl)cc2)CCO1 ZINC000436685747 861893467 /nfs/dbraw/zinc/89/34/67/861893467.db2.gz CFQCZEHHKGQLKP-GOSISDBHSA-N 0 1 423.340 4.281 20 0 HIADMN Cc1nc(-c2ccc(C(=O)Nc3cc(Br)cc(Cl)c3O)cc2)n[nH]1 ZINC000436699008 861896835 /nfs/dbraw/zinc/89/68/35/861896835.db2.gz RXHJNSNOBAINFR-UHFFFAOYSA-N 0 1 407.655 4.154 20 0 HIADMN CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(-c2ccccc2O)n[nH]1 ZINC000436703754 861897814 /nfs/dbraw/zinc/89/78/14/861897814.db2.gz HYYIGDUPCIKPNI-UHFFFAOYSA-N 0 1 422.466 4.301 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(F)c(F)c3F)cc2)C[C@H](C)O1 ZINC000043232763 848397241 /nfs/dbraw/zinc/39/72/41/848397241.db2.gz ZXYPQEIQLUDACR-OKILXGFUSA-N 0 1 407.436 4.035 20 0 HIADMN CCOC(=O)C(C)(C)C1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)CC1 ZINC000436708479 861898832 /nfs/dbraw/zinc/89/88/32/861898832.db2.gz VDXCJEXMNNPJPE-UHFFFAOYSA-N 0 1 418.559 4.326 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000043491248 848429610 /nfs/dbraw/zinc/42/96/10/848429610.db2.gz IIJWBUKCPZOXSX-UHFFFAOYSA-N 0 1 418.488 4.012 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000043655347 848447008 /nfs/dbraw/zinc/44/70/08/848447008.db2.gz BRENYIQLNVPSLG-HXUWFJFHSA-N 0 1 400.910 4.257 20 0 HIADMN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000043781422 848464744 /nfs/dbraw/zinc/46/47/44/848464744.db2.gz KLVPBUSDHBAIGM-OAHLLOKOSA-N 0 1 408.889 4.221 20 0 HIADMN CN1CCN(c2ccccc2NC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000043800274 848468890 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O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000044310175 848543860 /nfs/dbraw/zinc/54/38/60/848543860.db2.gz OCJUVOFNNGKFPW-UHFFFAOYSA-N 0 1 407.436 4.368 20 0 HIADMN Cc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1S(C)(=O)=O ZINC000044409045 848557219 /nfs/dbraw/zinc/55/72/19/848557219.db2.gz RIJOTHJETOMHSR-UHFFFAOYSA-N 0 1 414.571 4.415 20 0 HIADMN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436733262 861917386 /nfs/dbraw/zinc/91/73/86/861917386.db2.gz VFQYQCSPLWUSJK-UHFFFAOYSA-N 0 1 412.873 4.308 20 0 HIADMN O=S(=O)(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1C(F)(F)F ZINC000044857773 848611095 /nfs/dbraw/zinc/61/10/95/848611095.db2.gz LZOWHRBOQNVMKT-OAHLLOKOSA-N 0 1 401.406 4.064 20 0 HIADMN CC(=O)N(c1ccc(NC(=O)c2ccc(Br)cc2O)cc1)[C@@H]1C[C@@H]1C ZINC000436739925 861922525 /nfs/dbraw/zinc/92/25/25/861922525.db2.gz PIWMTOKIAAJMEP-APPDUMDISA-N 0 1 403.276 4.168 20 0 HIADMN CCCOc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1OCCC ZINC000045000880 848620346 /nfs/dbraw/zinc/62/03/46/848620346.db2.gz 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CCOc1cc(N2CCN(C)CC2)ccc1NCc1ccc(CSC(F)F)o1 ZINC000237053120 853957849 /nfs/dbraw/zinc/95/78/49/853957849.db2.gz FPVKJWPJBNNQKB-UHFFFAOYSA-N 0 1 411.518 4.498 20 0 HIADMN COc1ccc(CN[C@H](C)C(=O)NCc2ccccc2)cc1OCc1ccccc1 ZINC000237155707 853974239 /nfs/dbraw/zinc/97/42/39/853974239.db2.gz PMQOAVKTOMUFBS-LJQANCHMSA-N 0 1 404.510 4.069 20 0 HIADMN COC(=O)COc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000237195369 853979588 /nfs/dbraw/zinc/97/95/88/853979588.db2.gz SDXIJXOWZSUEBG-UHFFFAOYSA-N 0 1 408.479 4.398 20 0 HIADMN COc1cc(CN[C@H](C)C(=O)NCc2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000237204613 853982551 /nfs/dbraw/zinc/98/25/51/853982551.db2.gz JBSBONRMELEFLC-GOSISDBHSA-N 0 1 422.500 4.208 20 0 HIADMN COc1cc(CNc2ccc(N3CCN(C)CC3)cn2)ccc1OCc1ccccc1 ZINC000237214744 853984776 /nfs/dbraw/zinc/98/47/76/853984776.db2.gz HIQDYTSMSKDFRC-UHFFFAOYSA-N 0 1 418.541 4.033 20 0 HIADMN COCCOc1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1 ZINC000237220723 853985496 /nfs/dbraw/zinc/98/54/96/853985496.db2.gz MFMNOCUBDABWRW-UHFFFAOYSA-N 0 1 411.546 4.138 20 0 HIADMN C=CCc1cc(CNCc2cnc3ccc(Br)cn23)cc(OC)c1OC ZINC000237228251 853986262 /nfs/dbraw/zinc/98/62/62/853986262.db2.gz GUPRWXVOKDTZCV-UHFFFAOYSA-N 0 1 416.319 4.132 20 0 HIADMN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000237239106 853989175 /nfs/dbraw/zinc/98/91/75/853989175.db2.gz UUQAVVBECZEGMM-RUZDIDTESA-N 0 1 422.532 4.212 20 0 HIADMN COc1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cc(OC)c1OC ZINC000237282629 853997334 /nfs/dbraw/zinc/99/73/34/853997334.db2.gz PAVHHWMACITCQP-UHFFFAOYSA-N 0 1 424.472 4.394 20 0 HIADMN C[C@@H](N[C@@H](C)CC(=O)Nc1ccccc1)c1cc2c(cc1Br)OCCO2 ZINC000237320342 854006106 /nfs/dbraw/zinc/00/61/06/854006106.db2.gz XKXDMWIQIGDQEQ-UONOGXRCSA-N 0 1 419.319 4.288 20 0 HIADMN COc1ccc([C@H](NCc2cccc3cc[nH]c32)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237361348 854013854 /nfs/dbraw/zinc/01/38/54/854013854.db2.gz LFABGEVLPFCMBV-QHCPKHFHSA-N 0 1 420.534 4.459 20 0 HIADMN 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/nfs/dbraw/zinc/95/50/07/855955007.db2.gz IKBREOHHWYALNV-HOTGVXAUSA-N 0 1 417.937 4.280 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccccc3OC(F)F)cc2)C[C@H](C)O1 ZINC000410370972 855956867 /nfs/dbraw/zinc/95/68/67/855956867.db2.gz RXACLBWWQBHESE-HOTGVXAUSA-N 0 1 419.472 4.219 20 0 HIADMN CCCOc1cccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000410372331 855957923 /nfs/dbraw/zinc/95/79/23/855957923.db2.gz VGNZCUDKEVCSNB-KDURUIRLSA-N 0 1 411.546 4.406 20 0 HIADMN CCCN(Cc1ccccc1)C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000410376590 855960399 /nfs/dbraw/zinc/96/03/99/855960399.db2.gz WRNYMXZFWKPRTJ-SFTDATJTSA-N 0 1 409.574 4.418 20 0 HIADMN Cc1nc2c(s1)CCC[C@H]2C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000425935696 856009325 /nfs/dbraw/zinc/00/93/25/856009325.db2.gz FMLJYKCGLWSZNP-QGZVFWFLSA-N 0 1 407.543 4.063 20 0 HIADMN O=C(N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21)[C@@H]1CCCc2[nH]cnc21 ZINC000425976773 856027185 /nfs/dbraw/zinc/02/71/85/856027185.db2.gz HPCZLPOVHMXVDH-DYVFJYSZSA-N 0 1 413.319 4.267 20 0 HIADMN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000425999127 856039313 /nfs/dbraw/zinc/03/93/13/856039313.db2.gz NMIXLSDDMQLFTK-UHFFFAOYSA-N 0 1 418.559 4.112 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(Cl)ccc1C ZINC000426012796 856047096 /nfs/dbraw/zinc/04/70/96/856047096.db2.gz IKGHHQIJSLXIGA-UHFFFAOYSA-N 0 1 402.926 4.443 20 0 HIADMN COc1cc(Cl)c(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1C ZINC000426013157 856047227 /nfs/dbraw/zinc/04/72/27/856047227.db2.gz LOQSRPDDZIMMOQ-UHFFFAOYSA-N 0 1 402.907 4.481 20 0 HIADMN Clc1cccc([C@@H](Cc2cccnc2)NCc2cccc(N3CCOCC3)n2)c1 ZINC000426033886 856060770 /nfs/dbraw/zinc/06/07/70/856060770.db2.gz CYBSRDHKMYVNQF-JOCHJYFZSA-N 0 1 408.933 4.040 20 0 HIADMN Cc1cccc2nc(CCC(=O)NCCc3ccc(F)c(Br)c3)[nH]c21 ZINC000426087575 856099348 /nfs/dbraw/zinc/09/93/48/856099348.db2.gz FKZGFWMEEAYAOT-UHFFFAOYSA-N 0 1 404.283 4.064 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)CCCc1csc(C)n1)N1CCCCC1 ZINC000426139119 856133019 /nfs/dbraw/zinc/13/30/19/856133019.db2.gz KJCDVMHBHOSADI-FQEVSTJZSA-N 0 1 401.576 4.126 20 0 HIADMN CC(C)Sc1ccccc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000426154702 856143386 /nfs/dbraw/zinc/14/33/86/856143386.db2.gz SRWVZEBQRMCNHO-CTNGQTDRSA-N 0 1 413.587 4.192 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccccc3C(=O)N3CCC(C)CC3)[nH]c21 ZINC000426154822 856143450 /nfs/dbraw/zinc/14/34/50/856143450.db2.gz TYIICWMJHIGQJD-UHFFFAOYSA-N 0 1 404.514 4.315 20 0 HIADMN Cc1cc(CN[C@H]2CCCc3ccc(Br)cc32)nc(N2CCCC2)n1 ZINC000426308467 856237207 /nfs/dbraw/zinc/23/72/07/856237207.db2.gz FASCWJIQGZPWRS-IBGZPJMESA-N 0 1 401.352 4.315 20 0 HIADMN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000426351317 856255809 /nfs/dbraw/zinc/25/58/09/856255809.db2.gz IATFOMNAIVNCKF-UHFFFAOYSA-N 0 1 421.501 4.243 20 0 HIADMN CCN(CCNC(=O)NC12CCC(C(F)(F)F)(CC1)CC2)CCC(F)(F)F ZINC000426366249 856260304 /nfs/dbraw/zinc/26/03/04/856260304.db2.gz PYCDZMTTWXDCBG-UHFFFAOYSA-N 0 1 403.411 4.215 20 0 HIADMN Cc1nc(COc2ccc(CN(C)Cc3ccc(Br)c(F)c3)cc2)no1 ZINC000426388886 856270692 /nfs/dbraw/zinc/27/06/92/856270692.db2.gz JMWGZXDZJVDNOA-UHFFFAOYSA-N 0 1 420.282 4.491 20 0 HIADMN Cc1nc([C@@H]2CCCOC2)sc1-c1nc(-c2ccc(F)c(CN(C)C)c2)no1 ZINC000426396896 856274633 /nfs/dbraw/zinc/27/46/33/856274633.db2.gz QUMDWVATLRLIAC-CQSZACIVSA-N 0 1 402.495 4.263 20 0 HIADMN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000426485170 856316178 /nfs/dbraw/zinc/31/61/78/856316178.db2.gz NAJLCLFGVIVKQE-KRWDZBQOSA-N 0 1 420.300 4.048 20 0 HIADMN CCn1nc(C)c(Cc2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1C ZINC000426565113 856350528 /nfs/dbraw/zinc/35/05/28/856350528.db2.gz LIMJNLCRSGHIML-UHFFFAOYSA-N 0 1 405.487 4.160 20 0 HIADMN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000426670929 856404691 /nfs/dbraw/zinc/40/46/91/856404691.db2.gz JCECMSIQAHQJNU-QGZVFWFLSA-N 0 1 417.328 4.358 20 0 HIADMN O=C([O-])c1csc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)n1 ZINC000426674210 856407215 /nfs/dbraw/zinc/40/72/15/856407215.db2.gz JLCLFGFRUMFMQA-UHFFFAOYSA-N 0 1 401.875 4.037 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(OCC(F)(F)C(F)F)nc3)[nH]c21 ZINC000426715585 856430903 /nfs/dbraw/zinc/43/09/03/856430903.db2.gz SBGWLYJFFATYGR-UHFFFAOYSA-N 0 1 410.371 4.117 20 0 HIADMN COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CC(=O)[O-])c1cnn(-c2ccccc2)c1 ZINC000426719455 856431907 /nfs/dbraw/zinc/43/19/07/856431907.db2.gz GSHUUZCVFKBXFF-SFHVURJKSA-N 0 1 420.296 4.493 20 0 HIADMN O=C([O-])C[C@H]([NH2+]Cc1sccc1Br)c1cnn(-c2ccccc2)c1 ZINC000426719586 856432851 /nfs/dbraw/zinc/43/28/51/856432851.db2.gz HTEXUJXLQVJVCE-HNNXBMFYSA-N 0 1 406.305 4.002 20 0 HIADMN CSCC[C@@H](NC(=O)CCc1nc2cccc(C)c2[nH]1)c1nc2ccccc2[nH]1 ZINC000426730630 856439244 /nfs/dbraw/zinc/43/92/44/856439244.db2.gz APHKAUYJIRWFPW-GOSISDBHSA-N 0 1 407.543 4.291 20 0 HIADMN COc1ccc2oc(C[NH2+][C@@H](CSCc3cccc4cccnc43)C(=O)[O-])cc2c1 ZINC000426735809 856442862 /nfs/dbraw/zinc/44/28/62/856442862.db2.gz GTGKUDUSISWGSE-FQEVSTJZSA-N 0 1 422.506 4.466 20 0 HIADMN COc1ccc(Br)cc1[C@H]([NH2+]Cc1ccc(Cl)cc1F)C(=O)[O-] ZINC000426736237 856443364 /nfs/dbraw/zinc/44/33/64/856443364.db2.gz IHQSHGLUWRSBAT-HNNXBMFYSA-N 0 1 402.647 4.166 20 0 HIADMN Cc1nc(COc2ccc(C[NH2+][C@H](C(=O)[O-])c3c(F)cccc3F)cc2)cs1 ZINC000426749499 856453534 /nfs/dbraw/zinc/45/35/34/856453534.db2.gz GIZFWUHEZADDGD-IBGZPJMESA-N 0 1 404.438 4.224 20 0 HIADMN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2csc(-c3ccsc3)n2)cc1OC ZINC000426781372 856475508 /nfs/dbraw/zinc/47/55/08/856475508.db2.gz BPEHSPHIGHVLRW-OAHLLOKOSA-N 0 1 404.513 4.194 20 0 HIADMN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2csc(-c3ccc(F)cc3)n2)cc1OC ZINC000426787085 856478108 /nfs/dbraw/zinc/47/81/08/856478108.db2.gz ARYXTWHIGFQNJI-QGZVFWFLSA-N 0 1 416.474 4.272 20 0 HIADMN COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(C)cc2Br)c1OC ZINC000426812216 856492289 /nfs/dbraw/zinc/49/22/89/856492289.db2.gz QEXLULATERGWKR-INIZCTEOSA-N 0 1 408.292 4.080 20 0 HIADMN O=C([O-])C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cccc(Br)c1 ZINC000426817384 856495023 /nfs/dbraw/zinc/49/50/23/856495023.db2.gz SFAIJERDOIBOOE-MRXNPFEDSA-N 0 1 418.316 4.273 20 0 HIADMN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000426940541 856551890 /nfs/dbraw/zinc/55/18/90/856551890.db2.gz OYUMCRHGEMRIDK-UHFFFAOYSA-N 0 1 421.464 4.031 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(O[C@@H](C)CC)cc1 ZINC000426977655 856575065 /nfs/dbraw/zinc/57/50/65/856575065.db2.gz MDPGHAJVYKGRLM-SFHVURJKSA-N 0 1 411.546 4.267 20 0 HIADMN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1n[nH]c2ccc(Br)cc21 ZINC000437448583 862814968 /nfs/dbraw/zinc/81/49/68/862814968.db2.gz MVJRELWVOKROQW-RISCZKNCSA-N 0 1 422.229 4.213 20 0 HIADMN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427086720 856628128 /nfs/dbraw/zinc/62/81/28/856628128.db2.gz VHFYGRHTZGREGT-UHFFFAOYSA-N 0 1 416.934 4.156 20 0 HIADMN Cc1c[nH]c(-c2ccccc2NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)n1 ZINC000427176799 856692723 /nfs/dbraw/zinc/69/27/23/856692723.db2.gz IGOSIRLBIKNLBE-UHFFFAOYSA-N 0 1 404.499 4.209 20 0 HIADMN Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(Cc2ccccc2)CC1 ZINC000427235923 856729713 /nfs/dbraw/zinc/72/97/13/856729713.db2.gz BFXXFHWPALGPQZ-UHFFFAOYSA-N 0 1 413.978 4.083 20 0 HIADMN COc1ccc(Br)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000427300918 856759731 /nfs/dbraw/zinc/75/97/31/856759731.db2.gz HDEFXCCXVZXFGA-UHFFFAOYSA-N 0 1 423.288 4.222 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)n[nH]1 ZINC000427417001 856811809 /nfs/dbraw/zinc/81/18/09/856811809.db2.gz YIMDROWKFFEUPV-QWHCGFSZSA-N 0 1 417.966 4.439 20 0 HIADMN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)o1 ZINC000427460860 856830928 /nfs/dbraw/zinc/83/09/28/856830928.db2.gz VXNGVJRUDSGVJA-JOCHJYFZSA-N 0 1 413.481 4.325 20 0 HIADMN C[C@](Cc1nc2ccccc2s1)(C(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000427509263 856845542 /nfs/dbraw/zinc/84/55/42/856845542.db2.gz KTBDJIDQGMXQOY-BXKMTCNYSA-N 0 1 416.550 4.194 20 0 HIADMN CCn1cc(-c2[nH]ncc2C(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)cn1 ZINC000427553398 856862906 /nfs/dbraw/zinc/86/29/06/856862906.db2.gz BMYLBKGSVRRSFN-QWHCGFSZSA-N 0 1 405.424 4.234 20 0 HIADMN O=C1CCCN1Cc1ccccc1CN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427595476 856881755 /nfs/dbraw/zinc/88/17/55/856881755.db2.gz VQKJNHUXFPZGEB-IBGZPJMESA-N 0 1 403.448 4.390 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccccc1CN1CCOCC1 ZINC000427798834 856960450 /nfs/dbraw/zinc/96/04/50/856960450.db2.gz PKMZVPWQBMZEOR-UHFFFAOYSA-N 0 1 412.493 4.314 20 0 HIADMN CN(C)Cc1ccsc1C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000427808411 856964999 /nfs/dbraw/zinc/96/49/99/856964999.db2.gz POSDHWNQVSNUNH-UHFFFAOYSA-N 0 1 401.757 4.498 20 0 HIADMN CCSc1cc(CN[C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)ccn1 ZINC000427837570 856976665 /nfs/dbraw/zinc/97/66/65/856976665.db2.gz FICHJVAPGNGMAL-WOJBJXKFSA-N 0 1 404.601 4.377 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccc(O)cc3)CC3CC3)n2)cc1 ZINC000427870541 856988561 /nfs/dbraw/zinc/98/85/61/856988561.db2.gz VHQYGTWWBJLRHE-UHFFFAOYSA-N 0 1 408.527 4.017 20 0 HIADMN CCOc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1[O-] ZINC000427900698 856999625 /nfs/dbraw/zinc/99/96/25/856999625.db2.gz IOPBOHXGTCOVNX-HKUYNNGSSA-N 0 1 414.933 4.038 20 0 HIADMN CCOc1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1[O-] ZINC000427900698 856999628 /nfs/dbraw/zinc/99/96/28/856999628.db2.gz IOPBOHXGTCOVNX-HKUYNNGSSA-N 0 1 414.933 4.038 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)c1cnc(C)c(Cl)c1Cl)N1CCCC1 ZINC000427908935 857002286 /nfs/dbraw/zinc/00/22/86/857002286.db2.gz PLOCILUDCPIUDJ-INIZCTEOSA-N 0 1 408.329 4.272 20 0 HIADMN COc1ccc(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)cc1NC(N)=O ZINC000427945530 857018368 /nfs/dbraw/zinc/01/83/68/857018368.db2.gz GWDNNVURDPRHAQ-UHFFFAOYSA-N 0 1 407.455 4.043 20 0 HIADMN CC1(C)CC[C@H](CN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)O1 ZINC000427978619 857030678 /nfs/dbraw/zinc/03/06/78/857030678.db2.gz ZVROYJXJPKIGCY-OXQOHEQNSA-N 0 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C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(C(C)(F)F)cc3)cc2)C[C@H](C)O1 ZINC000428177137 857098220 /nfs/dbraw/zinc/09/82/20/857098220.db2.gz PLVAJPQIUDTBTI-CALCHBBNSA-N 0 1 402.485 4.338 20 0 HIADMN Cc1cc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)ccc1Oc1ccncc1 ZINC000428185063 857103421 /nfs/dbraw/zinc/10/34/21/857103421.db2.gz RCMBLOTWFVESCT-UHFFFAOYSA-N 0 1 416.525 4.182 20 0 HIADMN Cc1nc(C(C)C)oc1CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000428352279 857168061 /nfs/dbraw/zinc/16/80/61/857168061.db2.gz QAKQNVHAEIVGGX-GOSISDBHSA-N 0 1 407.518 4.461 20 0 HIADMN OC1(C(F)F)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000428459484 857209966 /nfs/dbraw/zinc/20/99/66/857209966.db2.gz FAGGALXGTWPMPJ-UHFFFAOYSA-N 0 1 401.432 4.270 20 0 HIADMN CCCOc1c(Cl)cc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1OCC ZINC000428490908 857223850 /nfs/dbraw/zinc/22/38/50/857223850.db2.gz QFLDFRLWHIYLKP-CQSZACIVSA-N 0 1 422.875 4.028 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N(C)Cc1cn2c(n1)CCCC2)c1ccccc1Cl ZINC000428676332 857294618 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HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(OC(C)C)c(OC)c3)[nH]n2)cc1OC ZINC000464236407 877413324 /nfs/dbraw/zinc/41/33/24/877413324.db2.gz ORJGGMRWRAUFCS-UHFFFAOYSA-N 0 1 411.458 4.142 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)n[nH]1 ZINC000464311607 877503750 /nfs/dbraw/zinc/50/37/50/877503750.db2.gz OATHBHOYAPTKKM-SJCJKPOMSA-N 0 1 413.522 4.289 20 0 HIADMN OC[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000503263125 912243343 /nfs/dbraw/zinc/24/33/43/912243343.db2.gz ZHDDYVXTBCMZAH-MRXNPFEDSA-N 0 1 404.226 4.213 20 0 HIADMN CC(=O)NCCN(CCCCC1CCOCC1)Cc1ccc(Br)s1 ZINC000503266341 912246600 /nfs/dbraw/zinc/24/66/00/912246600.db2.gz ULSSKMCDKLUWNV-UHFFFAOYSA-N 0 1 417.413 4.046 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CC(c3ccccc3F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000464387952 877589268 /nfs/dbraw/zinc/58/92/68/877589268.db2.gz QWKGNNZEQDHQEF-QVKFZJNVSA-N 0 1 419.903 4.420 20 0 HIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000464395983 877597015 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Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(Br)cc3nc[nH]c32)c1 ZINC000503692641 912797322 /nfs/dbraw/zinc/79/73/22/912797322.db2.gz RJMJEJNMXAKCIN-UHFFFAOYSA-N 0 1 410.275 4.380 20 0 HIADMN CC1(C)[C@@H](C(F)(F)F)CCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000469993880 884210940 /nfs/dbraw/zinc/21/09/40/884210940.db2.gz QXLJTIXMPYAIHK-LBPRGKRZSA-N 0 1 408.346 4.183 20 0 HIADMN CCOCc1ccccc1CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000470028292 884251406 /nfs/dbraw/zinc/25/14/06/884251406.db2.gz MKGFENZYSUKUPJ-FQEVSTJZSA-N 0 1 423.479 4.344 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1cc(F)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000470072833 884327821 /nfs/dbraw/zinc/32/78/21/884327821.db2.gz QKKFPTSYWQQULQ-QGZVFWFLSA-N 0 1 401.379 4.086 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000470077223 884334010 /nfs/dbraw/zinc/33/40/10/884334010.db2.gz VMEOHAUXUIUKKP-FUDKSRODSA-N 0 1 411.546 4.335 20 0 HIADMN CCOC(=O)COc1ccc(CN[C@H](C)c2ccc(Br)cc2OC)cc1 ZINC000470153060 884423719 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O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)[C@H]1CCCc2[nH]ncc21 ZINC000473340715 888073230 /nfs/dbraw/zinc/07/32/30/888073230.db2.gz OJTPTCSAGDWHKQ-VIFPVBQESA-N 0 1 404.186 4.129 20 0 HIADMN C[C@@H](CC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccccc1C(F)(F)F ZINC000473369104 888088217 /nfs/dbraw/zinc/08/82/17/888088217.db2.gz BFKVBABQTDFWHY-KBXCAEBGSA-N 0 1 402.420 4.417 20 0 HIADMN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000473382233 888097843 /nfs/dbraw/zinc/09/78/43/888097843.db2.gz JSLAJQVZGZBYGQ-ONGXEEELSA-N 0 1 402.214 4.252 20 0 HIADMN CCOCCOCc1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473398025 888112632 /nfs/dbraw/zinc/11/26/32/888112632.db2.gz FFMKADVUGLKBAV-UHFFFAOYSA-N 0 1 422.305 4.486 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2ccc(OC)cc2OC(C)C)N2CCCC2)cc1 ZINC000473398958 888112992 /nfs/dbraw/zinc/11/29/92/888112992.db2.gz PBWJHQNNQYCBKI-QFIPXVFZSA-N 0 1 412.530 4.058 20 0 HIADMN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473402824 888118582 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O=C1[C@H](NCc2ccc(Cl)c(Br)c2)CCN1Cc1ccc(F)cc1 ZINC000480490945 895863980 /nfs/dbraw/zinc/86/39/80/895863980.db2.gz IEBCZHHAXKHSCZ-QGZVFWFLSA-N 0 1 411.702 4.132 20 0 HIADMN O=C1[C@H](NCc2cc(Cl)cc(C(F)(F)F)c2)CCN1Cc1ccc(F)cc1 ZINC000480498694 895869844 /nfs/dbraw/zinc/86/98/44/895869844.db2.gz XLHGMKKFAKJSHQ-QGZVFWFLSA-N 0 1 400.803 4.389 20 0 HIADMN CCCCN(C)C(=O)C1CCN(Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000480525010 895888438 /nfs/dbraw/zinc/88/84/38/895888438.db2.gz KFBAAXSOBXJRNA-UHFFFAOYSA-N 0 1 413.537 4.270 20 0 HIADMN c1ccc(-c2nc3c(s2)[C@@H](NCc2cccnc2N2CCOCC2)CCC3)cc1 ZINC000480528465 895892067 /nfs/dbraw/zinc/89/20/67/895892067.db2.gz RKILYELHMRPXOE-IBGZPJMESA-N 0 1 406.555 4.209 20 0 HIADMN Cc1c([C@H](C)NCCc2nccn2Cc2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000480528900 895892090 /nfs/dbraw/zinc/89/20/90/895892090.db2.gz PAYMTJUIKNGSFM-KRWDZBQOSA-N 0 1 420.948 4.367 20 0 HIADMN COc1cccc(-c2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)n[nH]2)c1 ZINC000480531882 895894436 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20 0 HIADMN CCS[C@@H](C)c1noc(CN(C)Cc2nc3ccc(Br)cc3[nH]2)n1 ZINC000480582587 895943668 /nfs/dbraw/zinc/94/36/68/895943668.db2.gz USQKABQKRSMGLW-JTQLQIEISA-N 0 1 410.341 4.155 20 0 HIADMN CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C ZINC000480591159 895953017 /nfs/dbraw/zinc/95/30/17/895953017.db2.gz HULLMTYZOVASBV-OWZDWXTDSA-N 0 1 406.933 4.378 20 0 HIADMN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCOc4ccc(Cl)cc43)cn2)C[C@@H](C)O1 ZINC000480603561 895967710 /nfs/dbraw/zinc/96/77/10/895967710.db2.gz DNPOWVFDJYLTGG-JXXFODFXSA-N 0 1 401.938 4.352 20 0 HIADMN C[C@@H]1CN(c2ccc(CN[C@H]3CCCOc4ccc(Cl)cc43)cn2)C[C@@H](C)O1 ZINC000480603565 895967833 /nfs/dbraw/zinc/96/78/33/895967833.db2.gz DNPOWVFDJYLTGG-QINHECLXSA-N 0 1 401.938 4.352 20 0 HIADMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccc(F)cc1OC(F)F ZINC000480606851 895971846 /nfs/dbraw/zinc/97/18/46/895971846.db2.gz IPLWIKRVFYLTSO-QLFBSQMISA-N 0 1 409.452 4.287 20 0 HIADMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccccc1OC(F)(F)F 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COc1cccc([C@@H]2[C@@H](NC(=O)N(C)C[C@@H](C)c3ccccc3)CCN2C2CC2)c1 ZINC000488292638 902754406 /nfs/dbraw/zinc/75/44/06/902754406.db2.gz PGNUWSKVZRAYCA-PUZWTLIVSA-N 0 1 407.558 4.418 20 0 HIADMN COCC[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(C)o1 ZINC000488335913 902772397 /nfs/dbraw/zinc/77/23/97/902772397.db2.gz YZWIZHISSHOGPD-FQEVSTJZSA-N 0 1 419.953 4.283 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000488344007 902778447 /nfs/dbraw/zinc/77/84/47/902778447.db2.gz ZKCRNHYDHYXLSC-HUUCEWRRSA-N 0 1 412.440 4.282 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CSc4ccccc43)CCN2C2CC2)c1 ZINC000488370542 902783531 /nfs/dbraw/zinc/78/35/31/902783531.db2.gz MIPBEJIDIWVGRM-KCZVDYSFSA-N 0 1 409.555 4.119 20 0 HIADMN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cn1 ZINC000488375236 902788831 /nfs/dbraw/zinc/78/88/31/902788831.db2.gz BJEMQNBPIWIKAE-MRVPVSSYSA-N 0 1 422.707 4.210 20 0 HIADMN Cc1cccc(-c2n[nH]cc2CN(CCO)Cc2cccc(Br)c2)c1 ZINC000488383758 902793354 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20 0 HIADMN Cc1cccc(CN(CCN(C)C)S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000488727566 902968341 /nfs/dbraw/zinc/96/83/41/902968341.db2.gz QBMPSZWIGIJHGM-UHFFFAOYSA-N 0 1 407.388 4.116 20 0 HIADMN CCCc1nc(C)c(CNc2ccc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn2)o1 ZINC000488738205 902974233 /nfs/dbraw/zinc/97/42/33/902974233.db2.gz VFJSJHFSNPBLLN-UHFFFAOYSA-N 0 1 422.457 4.022 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)CC3CC(OC(C)(C)C)C3)CCN2C2CC2)c1 ZINC000488789750 903001221 /nfs/dbraw/zinc/00/12/21/903001221.db2.gz VSBVKSLPMQJSFJ-MUVYSBNBSA-N 0 1 400.563 4.073 20 0 HIADMN O=C([C@H]1COc2ccc(Cl)cc21)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000488823452 903025355 /nfs/dbraw/zinc/02/53/55/903025355.db2.gz YKVWJVNQIVGENB-QAPCUYQASA-N 0 1 408.889 4.007 20 0 HIADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc(F)c1Sc1ccccc1 ZINC000488845185 903039032 /nfs/dbraw/zinc/03/90/32/903039032.db2.gz WALZTVGTTMZQDP-KRWDZBQOSA-N 0 1 414.546 4.302 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1[nH]c2ccc(F)cc2c1Cl ZINC000488889488 903059862 /nfs/dbraw/zinc/05/98/62/903059862.db2.gz JPXHZHBZDPSARI-UHFFFAOYSA-N 0 1 403.860 4.494 20 0 HIADMN Cc1cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(C)n1Cc1ccccn1 ZINC000488891884 903061523 /nfs/dbraw/zinc/06/15/23/903061523.db2.gz POEUBGOPJDKTGU-UHFFFAOYSA-N 0 1 420.532 4.082 20 0 HIADMN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NCCN1CCSCC1 ZINC000488896960 903065387 /nfs/dbraw/zinc/06/53/87/903065387.db2.gz OJJXUDAZWCCOAJ-UHFFFAOYSA-N 0 1 411.546 4.072 20 0 HIADMN CSC[C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000488930731 903082699 /nfs/dbraw/zinc/08/26/99/903082699.db2.gz JDSUWMATTSSSCB-GOSISDBHSA-N 0 1 410.027 4.337 20 0 HIADMN O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2nc3ccc(F)cc3[nH]2)CC1 ZINC000488937991 903086618 /nfs/dbraw/zinc/08/66/18/903086618.db2.gz MGXPYNRIFMPHRT-UHFFFAOYSA-N 0 1 400.498 4.286 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)n[nH]1 ZINC000488997049 903110055 /nfs/dbraw/zinc/11/00/55/903110055.db2.gz QBLSLRFXPYPLOO-INIZCTEOSA-N 0 1 417.488 4.379 20 0 HIADMN Cc1ccc(-c2noc(CCCN3CCC[C@@H](Oc4ncccc4F)C3)n2)cc1F ZINC000489021562 903125822 /nfs/dbraw/zinc/12/58/22/903125822.db2.gz LQLATPPLOJBMPQ-QGZVFWFLSA-N 0 1 414.456 4.194 20 0 HIADMN C[C@@]1(CNC(=O)N2CCC(C(=O)c3ccccc3)CC2)CCCN1Cc1ccccc1 ZINC000489050609 903156872 /nfs/dbraw/zinc/15/68/72/903156872.db2.gz XFBBMOQTJZSFQQ-SANMLTNESA-N 0 1 419.569 4.346 20 0 HIADMN CC[C@H](C)[C@H](NCc1cnn(C(C)C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000489073865 903176305 /nfs/dbraw/zinc/17/63/05/903176305.db2.gz VIWAUHAZKCJMMD-RDPSFJRHSA-N 0 1 410.606 4.450 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)n[nH]1 ZINC000489191932 903250731 /nfs/dbraw/zinc/25/07/31/903250731.db2.gz AIWYZCIRHUUSLO-LSDHHAIUSA-N 0 1 410.522 4.302 20 0 HIADMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(CC)(CC)c2ccc(OC)c(OC)c2)n[nH]1 ZINC000489256882 903293681 /nfs/dbraw/zinc/29/36/81/903293681.db2.gz PJWPAUVYWRKPBT-CABCVRRESA-N 0 1 402.539 4.271 20 0 HIADMN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H]1c1nc3ccc(Cl)cc3[nH]1)CCC2 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UBJMPIJMANZOLH-RUZDIDTESA-N 0 1 422.500 4.228 20 0 HIADMN O[C@@H](CN[C@@H](c1ccccc1)c1cc(Br)ccc1F)COCC1CC1 ZINC000490179430 903812912 /nfs/dbraw/zinc/81/29/12/903812912.db2.gz ZTSCARVCZDPSNY-PXNSSMCTSA-N 0 1 408.311 4.055 20 0 HIADMN CSC[C@@H]1CCCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)C1 ZINC000490201260 903824228 /nfs/dbraw/zinc/82/42/28/903824228.db2.gz KMGKWQXSQURVCX-RHSMWYFYSA-N 0 1 403.514 4.093 20 0 HIADMN O=C(Nc1ccc(Oc2ccccc2F)nc1)NC1CCN(Cc2ccncc2)CC1 ZINC000490202314 903825537 /nfs/dbraw/zinc/82/55/37/903825537.db2.gz JZSAHXBQXAQWII-UHFFFAOYSA-N 0 1 421.476 4.194 20 0 HIADMN Cc1c(F)cccc1-c1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000506055071 914754935 /nfs/dbraw/zinc/75/49/35/914754935.db2.gz HSVUTTSECURYPK-OAHLLOKOSA-N 0 1 402.491 4.235 20 0 HIADMN Cc1nc(COc2ccccc2C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)no1 ZINC000490236302 903844912 /nfs/dbraw/zinc/84/49/12/903844912.db2.gz DPDNTBRCMRJTJA-UHFFFAOYSA-N 0 1 417.347 4.104 20 0 HIADMN Brc1cccc2c1CCC[C@H]2NCc1ccncc1OC[C@H]1CCOC1 ZINC000490236508 903845297 /nfs/dbraw/zinc/84/52/97/903845297.db2.gz GFTZVKPNULPRKA-MGPUTAFESA-N 0 1 417.347 4.427 20 0 HIADMN Cc1cccc2nc(CNC(=O)Nc3ccc(C)c(C(=O)N4CCCCC4)c3)[nH]c21 ZINC000490237833 903846490 /nfs/dbraw/zinc/84/64/90/903846490.db2.gz CNHHBSRVKZJIJV-UHFFFAOYSA-N 0 1 405.502 4.128 20 0 HIADMN Brc1ccc2c(c1)CCC[C@H]2NCc1ccncc1OC[C@H]1CCOC1 ZINC000490260867 903859095 /nfs/dbraw/zinc/85/90/95/903859095.db2.gz MYRXKCRMRTWSCW-MGPUTAFESA-N 0 1 417.347 4.427 20 0 HIADMN O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490278428 903871424 /nfs/dbraw/zinc/87/14/24/903871424.db2.gz YMLUEOVYOPASEP-UHFFFAOYSA-N 0 1 424.766 4.172 20 0 HIADMN Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000490299120 903886600 /nfs/dbraw/zinc/88/66/00/903886600.db2.gz HUSVZUIXTDRTMD-IRXDYDNUSA-N 0 1 423.542 4.108 20 0 HIADMN Cc1nc([C@H]2CCCOC2)sc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000490299120 903886604 /nfs/dbraw/zinc/88/66/04/903886604.db2.gz HUSVZUIXTDRTMD-IRXDYDNUSA-N 0 1 423.542 4.108 20 0 HIADMN Cc1cccc(NC(=O)CSCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000490302638 903891131 /nfs/dbraw/zinc/89/11/31/903891131.db2.gz TWPSTHMLTPLHEL-UHFFFAOYSA-N 0 1 422.432 4.201 20 0 HIADMN O=C(NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)N[C@H]1CCOC2(CCC2)C1 ZINC000490324728 903907049 /nfs/dbraw/zinc/90/70/49/903907049.db2.gz XHZKNNDPEYYNSU-PMACEKPBSA-N 0 1 405.970 4.095 20 0 HIADMN CCCC[C@H](NC(=O)NC1CCN(Cc2ccncc2)CC1)c1ccc(OC)cc1 ZINC000490328148 903913761 /nfs/dbraw/zinc/91/37/61/903913761.db2.gz FQZYERXNSXQYAG-QHCPKHFHSA-N 0 1 410.562 4.285 20 0 HIADMN COc1cccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1OC(F)F ZINC000490330842 903919316 /nfs/dbraw/zinc/91/93/16/903919316.db2.gz OKVOMFSIFLPLEB-UHFFFAOYSA-N 0 1 401.291 4.444 20 0 HIADMN C[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)c1ccc(OCC(F)(F)F)cc1 ZINC000490340807 903931881 /nfs/dbraw/zinc/93/18/81/903931881.db2.gz OMPHBKVBEHNRMQ-HZPDHXFCSA-N 0 1 410.436 4.289 20 0 HIADMN 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4.205 20 0 HIADMN CS(=O)(=O)c1cccc([C@@H](NCCCc2ccccn2)c2ccc(F)cc2F)c1 ZINC000494400643 905692393 /nfs/dbraw/zinc/69/23/93/905692393.db2.gz BJYGSZJYIMQORX-JOCHJYFZSA-N 0 1 416.493 4.075 20 0 HIADMN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)CC(=O)Nc3ccccc3C(C)C)n2)c1 ZINC000494424200 905712538 /nfs/dbraw/zinc/71/25/38/905712538.db2.gz HLHQDDODZRLUTG-DLBZAZTESA-N 0 1 406.534 4.366 20 0 HIADMN COC(=O)c1c(CN[C@H]2CCO[C@@H]2C2CC2)nc2ccccc2c1-c1ccccc1 ZINC000494448211 905730865 /nfs/dbraw/zinc/73/08/65/905730865.db2.gz DWDDIRSQEYYMOU-GBXCKJPGSA-N 0 1 402.494 4.346 20 0 HIADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)no1 ZINC000494453104 905735846 /nfs/dbraw/zinc/73/58/46/905735846.db2.gz FKEUQHCKBQFKBD-UHFFFAOYSA-N 0 1 419.462 4.395 20 0 HIADMN COc1cccc2sc(NC(=O)CN[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)nc21 ZINC000494468689 905750082 /nfs/dbraw/zinc/75/00/82/905750082.db2.gz BAUHAEVARLOFME-AUUYWEPGSA-N 0 1 417.918 4.017 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494472161 905752851 /nfs/dbraw/zinc/75/28/51/905752851.db2.gz IKANEKDMLMWNFU-NFBKMPQASA-N 0 1 424.932 4.201 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000494478750 905761330 /nfs/dbraw/zinc/76/13/30/905761330.db2.gz IOOQVOKLUPAWSL-INIZCTEOSA-N 0 1 408.521 4.248 20 0 HIADMN Cc1ccc(NC(=O)Cc2nc(CN3CCCCC[C@H]3C[C@H](C)O)cs2)cc1 ZINC000512457322 921174339 /nfs/dbraw/zinc/17/43/39/921174339.db2.gz RUGSTHCZBPFQKK-PXNSSMCTSA-N 0 1 401.576 4.148 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000494478751 905761705 /nfs/dbraw/zinc/76/17/05/905761705.db2.gz IOOQVOKLUPAWSL-MRXNPFEDSA-N 0 1 408.521 4.248 20 0 HIADMN Cc1ccc(SCCNC(=O)CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000494482945 905766066 /nfs/dbraw/zinc/76/60/66/905766066.db2.gz MIVKLABBLWMAPV-FPOVZHCZSA-N 0 1 422.953 4.116 20 0 HIADMN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494490562 905775098 /nfs/dbraw/zinc/77/50/98/905775098.db2.gz 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CCOc1ccc(NC(=O)[C@H](C)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000494501182 905790247 /nfs/dbraw/zinc/79/02/47/905790247.db2.gz CDBAECMYHLJYFT-MRFFXTKBSA-N 0 1 406.885 4.325 20 0 HIADMN CN(C(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1nc2ccccc2s1 ZINC000494501536 905792989 /nfs/dbraw/zinc/79/29/89/905792989.db2.gz CVXKXHAIEHWXMQ-APWZRJJASA-N 0 1 419.909 4.171 20 0 HIADMN C[C@H](NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1Cl ZINC000494509057 905800636 /nfs/dbraw/zinc/80/06/36/905800636.db2.gz SVPBYPRCGPJDDF-GCKAQTDUSA-N 0 1 411.304 4.430 20 0 HIADMN CC(C)CN1Cc2cccc(NC(=O)[C@H](NC(=O)c3ccccc3F)C(C)C)c2C1 ZINC000494509214 905800706 /nfs/dbraw/zinc/80/07/06/905800706.db2.gz RMKKWVKJWWVHNO-JOCHJYFZSA-N 0 1 411.521 4.190 20 0 HIADMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N1CCSc2ccccc21 ZINC000494514130 905804956 /nfs/dbraw/zinc/80/49/56/905804956.db2.gz VVSBISNQPBETQP-QKMWGZLOSA-N 0 1 420.937 4.426 20 0 HIADMN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1 ZINC000494519362 905809915 /nfs/dbraw/zinc/80/99/15/905809915.db2.gz LVENNYKCXXJKSI-UHFFFAOYSA-N 0 1 415.559 4.062 20 0 HIADMN Cc1nc(-c2cccc(NC(=O)c3cc(Cl)ccc3NS(C)(=O)=O)c2)cs1 ZINC000494598826 905856549 /nfs/dbraw/zinc/85/65/49/905856549.db2.gz FTSVQAJVHHMCKR-UHFFFAOYSA-N 0 1 421.931 4.396 20 0 HIADMN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 ZINC000494629404 905871498 /nfs/dbraw/zinc/87/14/98/905871498.db2.gz CJAWCJGKJUSWRC-UHFFFAOYSA-N 0 1 423.494 4.088 20 0 HIADMN Cc1ccsc1[C@@H](CO)N[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000494645107 905880106 /nfs/dbraw/zinc/88/01/06/905880106.db2.gz FQBFGIDEVDMKNO-LAUBAEHRSA-N 0 1 410.539 4.286 20 0 HIADMN Cc1ccsc1[C@@H](CO)NCC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000494648995 905882806 /nfs/dbraw/zinc/88/28/06/905882806.db2.gz MMNXEXBJCLRZBD-GOSISDBHSA-N 0 1 413.568 4.006 20 0 HIADMN CCc1ccc(-c2cc(NC(=O)CN[C@@H](C)c3cn[nH]c3)n(-c3ccccc3)n2)cc1 ZINC000494651714 905884011 /nfs/dbraw/zinc/88/40/11/905884011.db2.gz GVROUMHRHGPVGE-KRWDZBQOSA-N 0 1 414.513 4.114 20 0 HIADMN Cc1ccc(C)c(NC(=O)Cc2nc(CN3CCCCC[C@@H]3C[C@H](C)O)cs2)c1 ZINC000512479061 921187972 /nfs/dbraw/zinc/18/79/72/921187972.db2.gz FQPPJUGLEFEZJE-AZUAARDMSA-N 0 1 415.603 4.457 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)N(C)C)c1 ZINC000512478836 921188172 /nfs/dbraw/zinc/18/81/72/921188172.db2.gz IOPCPRINXPESTH-AABGKKOBSA-N 0 1 406.448 4.237 20 0 HIADMN C[C@@H](O)C[C@H]1CCCCCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000512478402 921188293 /nfs/dbraw/zinc/18/82/93/921188293.db2.gz BYMDXULUTGXYDB-VXGBXAGGSA-N 0 1 400.342 4.076 20 0 HIADMN C[C@@H](O)C[C@@H]1CCCCCN1Cc1nc(-c2ccc(Br)s2)no1 ZINC000512478289 921188456 /nfs/dbraw/zinc/18/84/56/921188456.db2.gz BYMDXULUTGXYDB-NEPJUHHUSA-N 0 1 400.342 4.076 20 0 HIADMN CCOCCC1(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000494730371 905929581 /nfs/dbraw/zinc/92/95/81/905929581.db2.gz LRSGRZCRBHGLGP-NRFANRHFSA-N 0 1 423.525 4.254 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCCSCC(F)(F)F)c2ccc(F)cc2)c1 ZINC000494746652 905947253 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20 0 HIADMN O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1)C1CC1 ZINC000512496057 921200994 /nfs/dbraw/zinc/20/09/94/921200994.db2.gz GPNOIDJIQORFPP-LJQANCHMSA-N 0 1 416.485 4.189 20 0 HIADMN O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1)C1CC1 ZINC000512496057 921201003 /nfs/dbraw/zinc/20/10/03/921201003.db2.gz GPNOIDJIQORFPP-LJQANCHMSA-N 0 1 416.485 4.189 20 0 HIADMN CN(C(=O)CN(CCCO)[C@@H]1CCCc2ccccc21)c1nc2ccccc2s1 ZINC000494883197 906059577 /nfs/dbraw/zinc/05/95/77/906059577.db2.gz OHLHEIJOEOGFAC-HXUWFJFHSA-N 0 1 409.555 4.021 20 0 HIADMN COc1cccc(OC)c1Oc1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)cn1 ZINC000494888037 906063088 /nfs/dbraw/zinc/06/30/88/906063088.db2.gz GDEZIBBDSLFRSF-OAQYLSRUSA-N 0 1 423.517 4.420 20 0 HIADMN C[C@H](NCc1ccc(OCCOc2ccccc2)nc1)c1ccc(C(=O)N(C)C)cc1 ZINC000494889749 906065225 /nfs/dbraw/zinc/06/52/25/906065225.db2.gz CLGNJFQSIVEWTG-IBGZPJMESA-N 0 1 419.525 4.092 20 0 HIADMN Fc1ccc([C@H](C[C@@H]2CCOC2)NCc2cn3cc(Br)ccc3n2)cc1 ZINC000494896932 906073022 /nfs/dbraw/zinc/07/30/22/906073022.db2.gz HTKKYVXDIXHMCT-LIRRHRJNSA-N 0 1 418.310 4.493 20 0 HIADMN CCN(CCNC(=O)Nc1cnn(-c2ccccc2)c1C(C)C)CCC(F)(F)F ZINC000494918477 906092758 /nfs/dbraw/zinc/09/27/58/906092758.db2.gz ZOCOIPYKSANYOC-UHFFFAOYSA-N 0 1 411.472 4.392 20 0 HIADMN CN(CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C[C@@H]1CCOC1 ZINC000494954896 906125451 /nfs/dbraw/zinc/12/54/51/906125451.db2.gz AYEQNUKWTUUFHB-NSHDSACASA-N 0 1 400.331 4.024 20 0 HIADMN C[C@@H]1CN(Cc2cccc(N[C@H](c3cnn(C)c3)c3cccc(F)c3)c2)C[C@H](C)O1 ZINC000494966882 906135881 /nfs/dbraw/zinc/13/58/81/906135881.db2.gz BYGYDQMPZGTBIV-RHGYRFJNSA-N 0 1 408.521 4.370 20 0 HIADMN CN(CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1)C[C@H]1CCOC1 ZINC000494977336 906143394 /nfs/dbraw/zinc/14/33/94/906143394.db2.gz RFFOCDKNJPVNMW-OAHLLOKOSA-N 0 1 419.319 4.148 20 0 HIADMN Brc1ccc(Cc2noc([C@H]3CCCN3C[C@H]3CCSC3)n2)cc1 ZINC000494994632 906156746 /nfs/dbraw/zinc/15/67/46/906156746.db2.gz IKEKDGQNEJABSB-GDBMZVCRSA-N 0 1 408.365 4.313 20 0 HIADMN 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LUHCDRFXXRKDIQ-UXHICEINSA-N 0 1 410.606 4.210 20 0 HIADMN CCC[C@H]1CN(C(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CCN1CCOC ZINC000499446627 908803178 /nfs/dbraw/zinc/80/31/78/908803178.db2.gz XLNBCQAOAJKJDG-XGNNGGHXSA-N 0 1 416.528 4.095 20 0 HIADMN C[C@@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc(F)c1F ZINC000499496734 908817239 /nfs/dbraw/zinc/81/72/39/908817239.db2.gz ILGXSLUNSRGASS-IXDOHACOSA-N 0 1 417.500 4.134 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c(Cl)c1 ZINC000499561443 908841020 /nfs/dbraw/zinc/84/10/20/908841020.db2.gz NGOFOOMDIOUXEK-CVEARBPZSA-N 0 1 414.937 4.425 20 0 HIADMN CCN(C(=O)Cc1ccc(NC(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)cc1)c1ccccc1 ZINC000499568220 908842968 /nfs/dbraw/zinc/84/29/68/908842968.db2.gz JGOWJNXBFBGQLE-UXHICEINSA-N 0 1 422.573 4.229 20 0 HIADMN CCC[C@@H]1CN(C(=O)Nc2c(C)cc(Br)cc2C)CCN1CCOC ZINC000499572745 908844537 /nfs/dbraw/zinc/84/45/37/908844537.db2.gz WZXIWSMLDZGKFQ-QGZVFWFLSA-N 0 1 412.372 4.031 20 0 HIADMN CCN1C[C@@H](C)N(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C[C@@H]1C ZINC000499592175 908849818 /nfs/dbraw/zinc/84/98/18/908849818.db2.gz JDAWSTMYKYDGIG-JKSUJKDBSA-N 0 1 402.926 4.260 20 0 HIADMN CCN1C[C@H](C)N(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C[C@@H]1C ZINC000499592170 908850243 /nfs/dbraw/zinc/85/02/43/908850243.db2.gz JDAWSTMYKYDGIG-HOTGVXAUSA-N 0 1 402.926 4.260 20 0 HIADMN CCN1C[C@@H](C)N(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@H]1C ZINC000499595147 908850682 /nfs/dbraw/zinc/85/06/82/908850682.db2.gz ZVVNTZZPGLFBLB-WOJBJXKFSA-N 0 1 411.546 4.229 20 0 HIADMN CCCNC(=O)CCNCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000499680019 908875227 /nfs/dbraw/zinc/87/52/27/908875227.db2.gz NPQSAKBTPMNPSR-UHFFFAOYSA-N 0 1 410.493 4.118 20 0 HIADMN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cc(-c2ccccc2)n[nH]1 ZINC000499700397 908881263 /nfs/dbraw/zinc/88/12/63/908881263.db2.gz VVZPUWQDRAWFHE-UHFFFAOYSA-N 0 1 401.426 4.168 20 0 HIADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000499715153 908887079 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HIADMN CCCC[C@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000499915887 909031908 /nfs/dbraw/zinc/03/19/08/909031908.db2.gz YDXJZOLPCHYIDP-HNNXBMFYSA-N 0 1 420.531 4.269 20 0 HIADMN CCC[C@H]1CN(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)CCN1CCOC ZINC000499928840 909037736 /nfs/dbraw/zinc/03/77/36/909037736.db2.gz NCLCLJLXWFZROW-FQEVSTJZSA-N 0 1 414.550 4.430 20 0 HIADMN Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)c2)n1 ZINC000499929100 909038502 /nfs/dbraw/zinc/03/85/02/909038502.db2.gz KEGFTQZADBOGNH-QGZVFWFLSA-N 0 1 406.490 4.365 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(C)(C)CSC)ccc1C ZINC000499939941 909046002 /nfs/dbraw/zinc/04/60/02/909046002.db2.gz OVHVGGJHPWXNGR-UHFFFAOYSA-N 0 1 422.572 4.132 20 0 HIADMN CCn1nc(C(C)C)cc1C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000499946448 909051636 /nfs/dbraw/zinc/05/16/36/909051636.db2.gz LZEPUJNINXAMIM-UHFFFAOYSA-N 0 1 411.550 4.093 20 0 HIADMN O=C(CCOc1ccc(F)cc1)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000499953213 909056159 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CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2NC1=O ZINC000525293687 930138192 /nfs/dbraw/zinc/13/81/92/930138192.db2.gz PAZPECHJXJMQAI-LPMFXHHGSA-N 0 1 415.921 4.436 20 0 HIADMN O=C(NCC1(c2cccc(F)c2)CC1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000525317831 930155973 /nfs/dbraw/zinc/15/59/73/930155973.db2.gz KSOGUAGFYFPSCB-UHFFFAOYSA-N 0 1 419.504 4.232 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(N3CCC(C)CC3)c2)N(C)C)c1 ZINC000525346841 930184571 /nfs/dbraw/zinc/18/45/71/930184571.db2.gz TZZUZIYHHUQTNB-HSZRJFAPSA-N 0 1 410.562 4.356 20 0 HIADMN CCN(Cc1ccccc1)C(=O)CNCc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000525404588 930221566 /nfs/dbraw/zinc/22/15/66/930221566.db2.gz XXGLORFOWXYIJZ-UHFFFAOYSA-N 0 1 424.976 4.340 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)N2C[C@H](C)C[C@@H]2C)ccc1C ZINC000525442307 930242450 /nfs/dbraw/zinc/24/24/50/930242450.db2.gz NTTZOKPEPYZWLZ-ZBFHGGJFSA-N 0 1 417.531 4.067 20 0 HIADMN CCc1nc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)nn1-c1ccccc1F ZINC000525538604 930311449 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/nfs/dbraw/zinc/40/83/28/930408328.db2.gz UMWDJSNLJATZMN-UHFFFAOYSA-N 0 1 402.541 4.191 20 0 HIADMN O=S(=O)(N[C@H](c1ccccc1)C(F)(F)F)c1ccc(Br)c(F)c1 ZINC000525700321 930408954 /nfs/dbraw/zinc/40/89/54/930408954.db2.gz HOORISANEPGAAS-CYBMUJFWSA-N 0 1 412.202 4.170 20 0 HIADMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)[C@H]1C[C@]12CCc1ccccc12 ZINC000525748461 930426845 /nfs/dbraw/zinc/42/68/45/930426845.db2.gz CHGOLKCAWSIIBO-QRWLVFNGSA-N 0 1 409.287 4.077 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@@H]4c4ccc5c(c4)OCCO5)C3)[nH]c2c1 ZINC000525752568 930430201 /nfs/dbraw/zinc/43/02/01/930430201.db2.gz IOFNPQCTNHWPSN-QRVBRYPASA-N 0 1 417.509 4.152 20 0 HIADMN CC(C)Oc1ccccc1[C@H](C)N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000525761400 930434962 /nfs/dbraw/zinc/43/49/62/930434962.db2.gz HBHMXERHQJCPIJ-OALUTQOASA-N 0 1 413.537 4.001 20 0 HIADMN Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CCc4[nH]c(C(C)C)nc4C3)CC2)c(C)c1 ZINC000525989360 930502823 /nfs/dbraw/zinc/50/28/23/930502823.db2.gz ZZHZPCPXQYEZFC-LJQANCHMSA-N 0 1 407.558 4.376 20 0 HIADMN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000526074398 930520582 /nfs/dbraw/zinc/52/05/82/930520582.db2.gz FODFEVGAGMXTON-HNNXBMFYSA-N 0 1 419.464 4.047 20 0 HIADMN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000526074398 930520590 /nfs/dbraw/zinc/52/05/90/930520590.db2.gz FODFEVGAGMXTON-HNNXBMFYSA-N 0 1 419.464 4.047 20 0 HIADMN C[C@H](NCc1cncn1Cc1ccccc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000526083467 930522989 /nfs/dbraw/zinc/52/29/89/930522989.db2.gz GJIHGPBIPNFVLR-IBGZPJMESA-N 0 1 411.509 4.430 20 0 HIADMN Cn1nc(C(F)F)c2cc(C(=O)N(CCN3CCCC3)c3ccccc3)sc21 ZINC000526927952 930550133 /nfs/dbraw/zinc/55/01/33/930550133.db2.gz PDACYSBMHKOXQP-UHFFFAOYSA-N 0 1 404.486 4.315 20 0 HIADMN COC(=O)c1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)c(F)c1 ZINC000526995698 930563853 /nfs/dbraw/zinc/56/38/53/930563853.db2.gz OUALROSVRDKVGY-UHFFFAOYSA-N 0 1 422.279 4.452 20 0 HIADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)cc2[nH]1 ZINC000526999678 930564928 /nfs/dbraw/zinc/56/49/28/930564928.db2.gz MOCGFRYPHRPGIP-HXUWFJFHSA-N 0 1 410.493 4.012 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H]1C[C@@H]1c1cccc(Br)c1)C2 ZINC000527245743 930619663 /nfs/dbraw/zinc/61/96/63/930619663.db2.gz XGXISWLUAXEJJP-FRFSOERESA-N 0 1 402.336 4.073 20 0 HIADMN CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000527346506 930642479 /nfs/dbraw/zinc/64/24/79/930642479.db2.gz RBPYRKOTVOCXHK-JKSUJKDBSA-N 0 1 409.456 4.338 20 0 HIADMN CCn1nc(C)c(CNCc2ccccc2OCc2ccc(C(=O)OC)cc2)c1C ZINC000527360839 930647601 /nfs/dbraw/zinc/64/76/01/930647601.db2.gz FQVMXWZUHGWVFS-UHFFFAOYSA-N 0 1 407.514 4.175 20 0 HIADMN C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)s1)C1CCN(CC(F)(F)F)CC1 ZINC000527469933 930663412 /nfs/dbraw/zinc/66/34/12/930663412.db2.gz XZFGMBDAZOZPBE-JTQLQIEISA-N 0 1 420.888 4.184 20 0 HIADMN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2s1 ZINC000527485483 930666366 /nfs/dbraw/zinc/66/63/66/930666366.db2.gz XMWRCCOZCXWXQL-IAGOWNOFSA-N 0 1 409.555 4.312 20 0 HIADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000527522623 930673807 /nfs/dbraw/zinc/67/38/07/930673807.db2.gz BDJYGOXKRACAFZ-UHFFFAOYSA-N 0 1 413.884 4.353 20 0 HIADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000527522623 930673810 /nfs/dbraw/zinc/67/38/10/930673810.db2.gz BDJYGOXKRACAFZ-UHFFFAOYSA-N 0 1 413.884 4.353 20 0 HIADMN Cc1nccn1-c1ccc([C@@H](C)N[C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000530372101 930696916 /nfs/dbraw/zinc/69/69/16/930696916.db2.gz HESVJLXHJVKIDL-AUUYWEPGSA-N 0 1 405.420 4.464 20 0 HIADMN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530435358 930707552 /nfs/dbraw/zinc/70/75/52/930707552.db2.gz VWKFHSCQLRPZCX-QMTMVMCOSA-N 0 1 404.352 4.021 20 0 HIADMN COC(=O)[C@@H]1CN(C(=O)c2cccc3nc(-c4cccs4)[nH]c32)c2ccccc21 ZINC000530561513 930748790 /nfs/dbraw/zinc/74/87/90/930748790.db2.gz SXIAUHHNBVDHTC-OAHLLOKOSA-N 0 1 403.463 4.208 20 0 HIADMN Cc1ccc(-c2csc(NC(=O)[C@]3(O)CCN(Cc4ccccc4)C3)n2)c(C)c1 ZINC000530576681 930756050 /nfs/dbraw/zinc/75/60/50/930756050.db2.gz BIWBFQCURRKKES-QHCPKHFHSA-N 0 1 407.539 4.002 20 0 HIADMN CSc1cc2c(cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)OCCO2 ZINC000530597804 930764314 /nfs/dbraw/zinc/76/43/14/930764314.db2.gz AVUYQWMJTIZPJO-INIZCTEOSA-N 0 1 421.950 4.258 20 0 HIADMN CCS[C@@H]1CCC[C@@H]1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000530653002 930786953 /nfs/dbraw/zinc/78/69/53/930786953.db2.gz RTRBVTCXGJPTRT-JKSUJKDBSA-N 0 1 424.613 4.261 20 0 HIADMN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)N2CCCC2)o1 ZINC000530687126 930798836 /nfs/dbraw/zinc/79/88/36/930798836.db2.gz DIAZZKKHHSANCH-NRFANRHFSA-N 0 1 405.498 4.231 20 0 HIADMN Cc1ncc(CNCc2ccc(OCCOc3ccccc3)nc2)n1-c1ccccc1 ZINC000530737074 930812332 /nfs/dbraw/zinc/81/23/32/930812332.db2.gz ZLDWDLMQGSHCNS-UHFFFAOYSA-N 0 1 414.509 4.323 20 0 HIADMN CC1(C)Cc2cccc(CNCc3n[nH]c(-c4ccc(Br)cc4)n3)c2O1 ZINC000530780202 930822023 /nfs/dbraw/zinc/82/20/23/930822023.db2.gz KYHRLFLQUPSTRH-UHFFFAOYSA-N 0 1 413.319 4.238 20 0 HIADMN CC1(C)Cc2cccc(CNCc3nc(-c4ccc(Br)cc4)n[nH]3)c2O1 ZINC000530780202 930822024 /nfs/dbraw/zinc/82/20/24/930822024.db2.gz KYHRLFLQUPSTRH-UHFFFAOYSA-N 0 1 413.319 4.238 20 0 HIADMN O=C(N[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)c1ccc2ccccc2c1 ZINC000530798965 930826378 /nfs/dbraw/zinc/82/63/78/930826378.db2.gz KEBVGNCTPWVSBG-JOCHJYFZSA-N 0 1 424.504 4.265 20 0 HIADMN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000530818663 930831257 /nfs/dbraw/zinc/83/12/57/930831257.db2.gz VHGREJXLVWECMJ-QHCPKHFHSA-N 0 1 423.532 4.058 20 0 HIADMN CCN(CC)[C@@H](C(=O)NCc1nccn1CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000530820110 930831857 /nfs/dbraw/zinc/83/18/57/930831857.db2.gz GXYVJRSIOGWJHQ-LJQANCHMSA-N 0 1 410.484 4.257 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cn(C)nc1-c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000530828363 930833854 /nfs/dbraw/zinc/83/38/54/930833854.db2.gz IDTVZYACEAHPHV-LJQANCHMSA-N 0 1 417.340 4.427 20 0 HIADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530869058 930844411 /nfs/dbraw/zinc/84/44/11/930844411.db2.gz GEVZDVCZLYRWQS-GUDAYLKISA-N 0 1 421.994 4.083 20 0 HIADMN COc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)c(OC)c1OC ZINC000530895757 930852763 /nfs/dbraw/zinc/85/27/63/930852763.db2.gz XNRQDBNTZYPQRX-UHFFFAOYSA-N 0 1 416.655 4.086 20 0 HIADMN C[C@H](N[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000530924741 930860594 /nfs/dbraw/zinc/86/05/94/930860594.db2.gz WOFYBDYESOSISH-XOBRGWDASA-N 0 1 412.921 4.080 20 0 HIADMN COc1ccc(COC[C@H](O)CN2CCC[C@H]2c2ccc(Br)cc2)cc1 ZINC000530975749 930873899 /nfs/dbraw/zinc/87/38/99/930873899.db2.gz LDNSEUTUSQYEJF-CTNGQTDRSA-N 0 1 420.347 4.172 20 0 HIADMN Cc1ccc(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c(OC(C)(C)C)c1 ZINC000531006283 930881949 /nfs/dbraw/zinc/88/19/49/930881949.db2.gz XKJDPCCVSBMHSR-UHFFFAOYSA-N 0 1 411.481 4.096 20 0 HIADMN Cc1ccc(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c(OC(C)(C)C)c1 ZINC000531006283 930881956 /nfs/dbraw/zinc/88/19/56/930881956.db2.gz XKJDPCCVSBMHSR-UHFFFAOYSA-N 0 1 411.481 4.096 20 0 HIADMN O=C1Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3C(F)(F)F)c3cccc1c23 ZINC000531008004 930882515 /nfs/dbraw/zinc/88/25/15/930882515.db2.gz UUXRXWOIKUEKDK-UHFFFAOYSA-N 0 1 410.348 4.364 20 0 HIADMN C[C@H](NCc1cnc(-c2ccccc2)[nH]1)c1cc2c(cc1Br)OCCO2 ZINC000531012210 930884403 /nfs/dbraw/zinc/88/44/03/930884403.db2.gz QIHMRJBUTHNMFO-ZDUSSCGKSA-N 0 1 414.303 4.461 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2oc(-c3ccccc3)nc2C)N2CCCC2)cc1 ZINC000531042801 930894987 /nfs/dbraw/zinc/89/49/87/930894987.db2.gz WPTWTODKAFOEMA-OAQYLSRUSA-N 0 1 405.498 4.226 20 0 HIADMN COc1cc(F)c([C@@H](C)NC(=O)[C@@H]2CCCCN2Cc2ccccc2)cc1OC ZINC000531062321 930902993 /nfs/dbraw/zinc/90/29/93/930902993.db2.gz QIXSGYYOJSUHJH-UZLBHIALSA-N 0 1 400.494 4.075 20 0 HIADMN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000531066042 930903480 /nfs/dbraw/zinc/90/34/80/930903480.db2.gz QESBSNZOWBGKNE-WOJBJXKFSA-N 0 1 407.493 4.479 20 0 HIADMN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000531066042 930903488 /nfs/dbraw/zinc/90/34/88/930903488.db2.gz QESBSNZOWBGKNE-WOJBJXKFSA-N 0 1 407.493 4.479 20 0 HIADMN Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000531068060 930904474 /nfs/dbraw/zinc/90/44/74/930904474.db2.gz KQKLSQLMYFACJG-QGZVFWFLSA-N 0 1 403.935 4.327 20 0 HIADMN CC[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1 ZINC000531076581 930909708 /nfs/dbraw/zinc/90/97/08/930909708.db2.gz ZTJPWOFQRSDZLH-YWZLYKJASA-N 0 1 416.953 4.293 20 0 HIADMN Cn1ncc2cc(C(=O)Nc3ccc4nc(-c5cc(F)ccc5F)[nH]c4c3)cnc21 ZINC000531090916 930916965 /nfs/dbraw/zinc/91/69/65/930916965.db2.gz MWZHYUWQEUFHIO-UHFFFAOYSA-N 0 1 404.380 4.042 20 0 HIADMN CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531097271 930917822 /nfs/dbraw/zinc/91/78/22/930917822.db2.gz HHGOVMQYOGGJOJ-INIZCTEOSA-N 0 1 406.983 4.316 20 0 HIADMN COc1ccc2[nH]cc(CC(=O)Nc3cc(Cl)cc(Br)c3O)c2c1 ZINC000531134093 930936705 /nfs/dbraw/zinc/93/67/05/930936705.db2.gz PTUTZPBIBZCKAE-UHFFFAOYSA-N 0 1 409.667 4.479 20 0 HIADMN O[C@@H](COCc1ccccc1F)CN1CCC[C@@H]1c1ccc(Br)cc1 ZINC000531210546 930968263 /nfs/dbraw/zinc/96/82/63/930968263.db2.gz ISNNHSLIBNUSAX-UYAOXDASSA-N 0 1 408.311 4.303 20 0 HIADMN C[C@@H](NCc1cnc(C2CCCCC2)s1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000531212552 930968363 /nfs/dbraw/zinc/96/83/63/930968363.db2.gz FHGIZEZHOKJCSZ-OAHLLOKOSA-N 0 1 407.605 4.292 20 0 HIADMN CN1CCN(C[C@H](NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)c2ccccc2)CC1 ZINC000531233968 930976708 /nfs/dbraw/zinc/97/67/08/930976708.db2.gz BTXWJQJSEJJVDH-ZEQRLZLVSA-N 0 1 424.564 4.051 20 0 HIADMN OC[C@H](CNCc1coc(-c2ccccc2)n1)Cc1ccccc1OC(F)(F)F ZINC000531250723 930981961 /nfs/dbraw/zinc/98/19/61/930981961.db2.gz DCSZHUXSOZAGQR-HNNXBMFYSA-N 0 1 406.404 4.181 20 0 HIADMN O=C(c1cc2ccccn2c1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000531282505 930999476 /nfs/dbraw/zinc/99/94/76/930999476.db2.gz OMGRCGMXLLPVDU-UHFFFAOYSA-N 0 1 401.432 4.306 20 0 HIADMN COC(=O)[C@H](C)Sc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531306539 931010578 /nfs/dbraw/zinc/01/05/78/931010578.db2.gz RAEBVXBNCLUYJO-KSSFIOAISA-N 0 1 420.962 4.026 20 0 HIADMN CC(C)N1CCC[C@@H](N[C@H](C)c2cccc(NC(=O)Cc3ccccc3F)c2)C1=O ZINC000531361033 931030885 /nfs/dbraw/zinc/03/08/85/931030885.db2.gz DUYHRQMNFUSFRX-VGOFRKELSA-N 0 1 411.521 4.057 20 0 HIADMN COc1ccc(COCCCNC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000531368880 931032593 /nfs/dbraw/zinc/03/25/93/931032593.db2.gz FTONTSHFGHRUDO-QFIPXVFZSA-N 0 1 422.529 4.333 20 0 HIADMN COc1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc(OC)c1OC ZINC000531372527 931035312 /nfs/dbraw/zinc/03/53/12/931035312.db2.gz WFSUSTXPMBLNJS-UHFFFAOYSA-N 0 1 416.655 4.086 20 0 HIADMN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000531482260 931073160 /nfs/dbraw/zinc/07/31/60/931073160.db2.gz CSSZDMPGSGYNGA-IBGZPJMESA-N 0 1 406.873 4.376 20 0 HIADMN CN(C)[C@@H](CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000531491321 931076325 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C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc2c(c1)OCCCO2 ZINC000531684546 931152153 /nfs/dbraw/zinc/15/21/53/931152153.db2.gz IHJUVZHUBBEPLL-QGZVFWFLSA-N 0 1 403.482 4.346 20 0 HIADMN Cc1nc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)cc2[nH]1 ZINC000531687016 931152650 /nfs/dbraw/zinc/15/26/50/931152650.db2.gz ROGZDOGCRSJMOC-SFHVURJKSA-N 0 1 417.296 4.421 20 0 HIADMN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccccc1CS(=O)(=O)NC(C)C ZINC000531703027 931164747 /nfs/dbraw/zinc/16/47/47/931164747.db2.gz CPKZYKOLWHQDAQ-OAHLLOKOSA-N 0 1 409.621 4.254 20 0 HIADMN COc1cc([C@H](C)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc(OC)c1OC ZINC000531725040 931174930 /nfs/dbraw/zinc/17/49/30/931174930.db2.gz GFAQLAYGXPFIED-WMLDXEAASA-N 0 1 418.921 4.212 20 0 HIADMN COc1cc(-c2noc(-c3ccc4[nH]c(C(F)F)nc4c3)n2)cc(OC)c1OC ZINC000531750138 931182483 /nfs/dbraw/zinc/18/24/83/931182483.db2.gz XZABHJXUPYKPDG-UHFFFAOYSA-N 0 1 402.357 4.243 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc5c(c4)C(C)(C)C(=O)N5)C3)[nH]c2c1 ZINC000531769757 931189523 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TZMSYAJFXZGGJQ-STQMWFEESA-N 0 1 401.511 4.071 20 0 HIADMN C[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([S@](C)=O)cc1 ZINC000538267847 938579527 /nfs/dbraw/zinc/57/95/27/938579527.db2.gz RKEZKCOUWWTEBC-LUGWNYHVSA-N 0 1 418.868 4.386 20 0 HIADMN Cc1ccc([C@H](NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CCCC2)o1 ZINC000538293831 938585191 /nfs/dbraw/zinc/58/51/91/938585191.db2.gz KRRWSPYKPJMVER-JOCHJYFZSA-N 0 1 402.560 4.394 20 0 HIADMN C[C@H](CCCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000538296022 938585989 /nfs/dbraw/zinc/58/59/89/938585989.db2.gz QYPFVUKYLZHHDN-HXUWFJFHSA-N 0 1 407.558 4.062 20 0 HIADMN CCC[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2OC)CCN1Cc1ccccc1 ZINC000538337325 938597031 /nfs/dbraw/zinc/59/70/31/938597031.db2.gz MPHWNAVZJKLWMY-NRFANRHFSA-N 0 1 424.545 4.172 20 0 HIADMN CCC[C@H]1CN(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CCN1Cc1ccccc1 ZINC000538340598 938597928 /nfs/dbraw/zinc/59/79/28/938597928.db2.gz IJVIBHQMQCTVIH-NRFANRHFSA-N 0 1 424.545 4.172 20 0 HIADMN Cc1cccc(NC(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c1F ZINC000538355759 938602504 /nfs/dbraw/zinc/60/25/04/938602504.db2.gz QUTFVIWCDRTVQR-UHFFFAOYSA-N 0 1 404.243 4.003 20 0 HIADMN Cc1cccc(NC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1F ZINC000538355759 938602505 /nfs/dbraw/zinc/60/25/05/938602505.db2.gz QUTFVIWCDRTVQR-UHFFFAOYSA-N 0 1 404.243 4.003 20 0 HIADMN CCC[C@@H]1CN(C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)CCN1Cc1ccccc1 ZINC000538374570 938606546 /nfs/dbraw/zinc/60/65/46/938606546.db2.gz NXUDJIBHRTZPEH-YADHBBJMSA-N 0 1 411.594 4.184 20 0 HIADMN CCC[C@@H]1CN(C(=O)NCc2csc([C@H](C)OC)n2)CCN1Cc1ccccc1 ZINC000538388188 938609076 /nfs/dbraw/zinc/60/90/76/938609076.db2.gz UTUJCURJZBHPGK-FXAWDEMLSA-N 0 1 416.591 4.047 20 0 HIADMN COc1ccc([C@H](C)N[C@@H]2CCN(c3ncccc3Cl)C2)c(Br)c1 ZINC000538392860 938609888 /nfs/dbraw/zinc/60/98/88/938609888.db2.gz AOKFHEKVTIJXGK-QWHCGFSZSA-N 0 1 410.743 4.436 20 0 HIADMN CN(Cc1ccccc1Br)C(=O)CCNCc1cc(F)c(F)cc1F ZINC000538399533 938611192 /nfs/dbraw/zinc/61/11/92/938611192.db2.gz LMCGOSWOFWGDMJ-UHFFFAOYSA-N 0 1 415.253 4.005 20 0 HIADMN CN(C)Cc1cc(CNCc2cn(-c3cccc(Cl)c3Cl)nn2)ccc1F ZINC000538400863 938611667 /nfs/dbraw/zinc/61/16/67/938611667.db2.gz MBKYHCWWAMDYOJ-UHFFFAOYSA-N 0 1 408.308 4.065 20 0 HIADMN COc1ccc([C@@H](C)NCCNC(=O)c2ccccc2Cl)c(Br)c1 ZINC000538409141 938613399 /nfs/dbraw/zinc/61/33/99/938613399.db2.gz FNMPDYFAWPQUOZ-GFCCVEGCSA-N 0 1 411.727 4.192 20 0 HIADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)C(=O)NC(C)(C)C ZINC000538409909 938613721 /nfs/dbraw/zinc/61/37/21/938613721.db2.gz CDENROUIYLFNKD-AWEZNQCLSA-N 0 1 421.383 4.151 20 0 HIADMN Clc1cccnc1OCCNCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000538413387 938614562 /nfs/dbraw/zinc/61/45/62/938614562.db2.gz UQPFXMWQAMOAGZ-UHFFFAOYSA-N 0 1 407.699 4.056 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)c1cc(C)n(C2CCCCC2)n1)N1CCCC1 ZINC000538456526 938626154 /nfs/dbraw/zinc/62/61/54/938626154.db2.gz CAGHRNSQJLUTFS-QFIPXVFZSA-N 0 1 410.562 4.272 20 0 HIADMN Cn1nccc1[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000538502782 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/nfs/dbraw/zinc/67/65/72/938676572.db2.gz CESZOUXEMSEPSX-SFHVURJKSA-N 0 1 419.533 4.205 20 0 HIADMN C[S@](=O)c1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000538663483 938677712 /nfs/dbraw/zinc/67/77/12/938677712.db2.gz XOUCXJJODUKBRD-BCOMRZATSA-N 0 1 415.563 4.001 20 0 HIADMN Cc1c(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1N(C)C ZINC000538664872 938679118 /nfs/dbraw/zinc/67/91/18/938679118.db2.gz BVZXFSOWBJZYHQ-SFHVURJKSA-N 0 1 404.518 4.258 20 0 HIADMN Cc1cc(C2CCN(C(=O)Cc3csc(COc4ccc(C)cc4)n3)CC2)n[nH]1 ZINC000538676086 938682187 /nfs/dbraw/zinc/68/21/87/938682187.db2.gz OBNBUDQHVZANPL-UHFFFAOYSA-N 0 1 410.543 4.011 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)N3CCC[C@@H]3c3cccc(C)n3)CCN2C2CC2)c1 ZINC000538710304 938688040 /nfs/dbraw/zinc/68/80/40/938688040.db2.gz RETXHKQKVMOICC-WXFUMESZSA-N 0 1 420.557 4.223 20 0 HIADMN Clc1ccc(SC2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1 ZINC000538723844 938691945 /nfs/dbraw/zinc/69/19/45/938691945.db2.gz CRPUADQOFYRJHP-UHFFFAOYSA-N 0 1 410.008 4.390 20 0 HIADMN CCOCCOc1ccc(Br)cc1CN(C)CCc1ncc(C)s1 ZINC000538723655 938692032 /nfs/dbraw/zinc/69/20/32/938692032.db2.gz RDDRKYPKJIZZMG-UHFFFAOYSA-N 0 1 413.381 4.304 20 0 HIADMN COc1cccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1OC ZINC000538728015 938693952 /nfs/dbraw/zinc/69/39/52/938693952.db2.gz NUOUAUYMFFHMHB-UHFFFAOYSA-N 0 1 406.885 4.347 20 0 HIADMN CCS(=O)(=O)N(C)C1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000538730417 938694961 /nfs/dbraw/zinc/69/49/61/938694961.db2.gz KBDVRXORNBAAEW-UHFFFAOYSA-N 0 1 413.008 4.314 20 0 HIADMN COc1cc(CN2CCCC[C@H]2c2ccc(C)cc2)cc(Cl)c1OCC(N)=O ZINC000538740433 938698242 /nfs/dbraw/zinc/69/82/42/938698242.db2.gz OAZFUGUCYNSSAP-IBGZPJMESA-N 0 1 402.922 4.248 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)cc1CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000538740073 938698263 /nfs/dbraw/zinc/69/82/63/938698263.db2.gz HKSYVQPNLLRXPP-UHFFFAOYSA-N 0 1 412.921 4.130 20 0 HIADMN Cc1noc(Cl)c1CC(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000538819818 938720158 /nfs/dbraw/zinc/72/01/58/938720158.db2.gz YLZDRSBZSHCDHI-UHFFFAOYSA-N 0 1 408.714 4.348 20 0 HIADMN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCC(CCc2ccccc2)CC1 ZINC000538829971 938721126 /nfs/dbraw/zinc/72/11/26/938721126.db2.gz PDJMFVXVTYCMDM-VWLOTQADSA-N 0 1 406.570 4.056 20 0 HIADMN COc1ccc([C@H](CN2CCCC2)NC(=O)CCC(=O)c2cc(C)sc2C)cc1 ZINC000538831129 938721738 /nfs/dbraw/zinc/72/17/38/938721738.db2.gz IQNKXXNRQYOXSA-NRFANRHFSA-N 0 1 414.571 4.290 20 0 HIADMN COc1ccc(-n2nc(C(=O)N3CCC[C@H]3c3nc4ccc(C)cc4[nH]3)cc2C)cc1 ZINC000538840987 938723473 /nfs/dbraw/zinc/72/34/73/938723473.db2.gz WRNORGQSSDJXMF-QFIPXVFZSA-N 0 1 415.497 4.351 20 0 HIADMN COc1cc2c(cc1CNC(=O)Nc1ccc3nc(C(F)F)[nH]c3c1)O[C@H](C)C2 ZINC000538982278 938759070 /nfs/dbraw/zinc/75/90/70/938759070.db2.gz HXXUCQLNARQQJJ-SNVBAGLBSA-N 0 1 402.401 4.154 20 0 HIADMN Cc1nc(-c2cc3c(s2)CCN(CCc2nc4ccccc4c(=O)[nH]2)C3)cs1 ZINC000538997709 938764139 /nfs/dbraw/zinc/76/41/39/938764139.db2.gz MODAVIIEENBZJK-UHFFFAOYSA-N 0 1 408.552 4.430 20 0 HIADMN O=S(=O)(c1ccc(CN[C@H]2CCSc3c(F)cccc32)cc1)N1CCCCC1 ZINC000539020336 938770950 /nfs/dbraw/zinc/77/09/50/938770950.db2.gz JFHIEIUFIBJYFO-FQEVSTJZSA-N 0 1 420.575 4.327 20 0 HIADMN C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1ccc(-n2cnnn2)cc1 ZINC000539043216 938779629 /nfs/dbraw/zinc/77/96/29/938779629.db2.gz FZVVXVFLSUNZTJ-ZHRRBRCNSA-N 0 1 404.905 4.345 20 0 HIADMN CCOc1cc2c(cc1CN[C@H](C)c1cc(OC)c(OC)c(OC)c1)O[C@H](C)C2 ZINC000539043499 938779840 /nfs/dbraw/zinc/77/98/40/938779840.db2.gz TXNOHLKMBHSIRM-HUUCEWRRSA-N 0 1 401.503 4.285 20 0 HIADMN C[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1OCc1ccccc1 ZINC000539046345 938781883 /nfs/dbraw/zinc/78/18/83/938781883.db2.gz JPUQNQPNWNJZAM-QFBILLFUSA-N 0 1 406.448 4.470 20 0 HIADMN C[C@@H](NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1)c1ccccc1F ZINC000539053080 938784969 /nfs/dbraw/zinc/78/49/69/938784969.db2.gz OWKKIIYTXPJTJY-GOSISDBHSA-N 0 1 404.551 4.238 20 0 HIADMN C[C@H](NCc1cccc2c1OCCCO2)c1ccc(I)cc1 ZINC000539062434 938788740 /nfs/dbraw/zinc/78/87/40/938788740.db2.gz YNDHQJAWHVYEEF-ZDUSSCGKSA-N 0 1 409.267 4.303 20 0 HIADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000539080094 938797367 /nfs/dbraw/zinc/79/73/67/938797367.db2.gz ROTQUXWIAYYCJG-AABGKKOBSA-N 0 1 406.423 4.339 20 0 HIADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](COCc2ccccc2)c2ccccc2)cc1 ZINC000539084465 938799697 /nfs/dbraw/zinc/79/96/97/938799697.db2.gz UWZWUWLLXVCSCF-DVECYGJZSA-N 0 1 424.566 4.203 20 0 HIADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H]3C[C@H](C)Sc4sccc43)C2=O)c1 ZINC000539086173 938799800 /nfs/dbraw/zinc/79/98/00/938799800.db2.gz HGCSEPKKZRKENI-JBBXEZCESA-N 0 1 404.557 4.086 20 0 HIADMN COc1ccc([C@@H](C)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1NC(C)=O ZINC000539092301 938801265 /nfs/dbraw/zinc/80/12/65/938801265.db2.gz UCGPFKMDSBYHQH-QGZVFWFLSA-N 0 1 409.530 4.131 20 0 HIADMN C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(N2CCCC2=O)c1 ZINC000539091649 938801435 /nfs/dbraw/zinc/80/14/35/938801435.db2.gz ZONANYYYNHDYMH-GOSISDBHSA-N 0 1 417.509 4.187 20 0 HIADMN CC[C@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000539093521 938801801 /nfs/dbraw/zinc/80/18/01/938801801.db2.gz NZOWZSRKGDNRNV-IRXDYDNUSA-N 0 1 422.978 4.316 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3csc(C)c3C)CC2)c1C ZINC000539118879 938805483 /nfs/dbraw/zinc/80/54/83/938805483.db2.gz IQHCOTSKIYZPRY-UHFFFAOYSA-N 0 1 401.576 4.122 20 0 HIADMN CN(C)Cc1cc(CNC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1F ZINC000539156337 938813280 /nfs/dbraw/zinc/81/32/80/938813280.db2.gz ZXFNYVVYMKQTPY-PMACEKPBSA-N 0 1 423.891 4.009 20 0 HIADMN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000539160731 938814198 /nfs/dbraw/zinc/81/41/98/938814198.db2.gz FYCQRWYEIAMQFK-ZDUSSCGKSA-N 0 1 420.847 4.230 20 0 HIADMN C[C@@H](NCc1ccc(-c2nc3ccccc3s2)o1)c1ccc(S(N)(=O)=O)cc1 ZINC000539163514 938814583 /nfs/dbraw/zinc/81/45/83/938814583.db2.gz HKMKRNSTMDKJFX-CYBMUJFWSA-N 0 1 413.524 4.055 20 0 HIADMN CC[C@H](CSC)N(C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539180276 938816522 /nfs/dbraw/zinc/81/65/22/938816522.db2.gz AULPDAKPUYJNAI-DAYGRLMNSA-N 0 1 401.979 4.255 20 0 HIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000539201266 938818568 /nfs/dbraw/zinc/81/85/68/938818568.db2.gz UHYOJNRWTAMDNH-OLZOCXBDSA-N 0 1 419.547 4.317 20 0 HIADMN O=S(=O)(c1ccccc1CN[C@@H](c1ccc(F)cc1)C1CC1)N1CCCCC1 ZINC000539215987 938819956 /nfs/dbraw/zinc/81/99/56/938819956.db2.gz AHNPUBDNPVJQMU-JOCHJYFZSA-N 0 1 402.535 4.241 20 0 HIADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000539220070 938820776 /nfs/dbraw/zinc/82/07/76/938820776.db2.gz YSIIWBADOBDEJL-OAHLLOKOSA-N 0 1 419.472 4.059 20 0 HIADMN CCN(C(=O)CN[C@@H](C)c1cc(OC)c(OC)c(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000539223272 938821106 /nfs/dbraw/zinc/82/11/06/938821106.db2.gz BYGKVDMALBBXGR-JKSUJKDBSA-N 0 1 418.509 4.112 20 0 HIADMN CC(C)N(C(=O)CN[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C(C)C ZINC000539225824 938821369 /nfs/dbraw/zinc/82/13/69/938821369.db2.gz JZACUJXNCZOJBN-SFHVURJKSA-N 0 1 413.537 4.303 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)cc(OC)c1OC ZINC000539225276 938821447 /nfs/dbraw/zinc/82/14/47/938821447.db2.gz CCNLXKPUQDTEGN-ULQDDVLXSA-N 0 1 412.530 4.119 20 0 HIADMN CCOc1cc(CN[C@H](CC)c2ccc(Cl)cc2)nc2nc(C(F)(F)F)nn21 ZINC000539233045 938822709 /nfs/dbraw/zinc/82/27/09/938822709.db2.gz GLAZXKVEYUCCFN-CQSZACIVSA-N 0 1 413.831 4.436 20 0 HIADMN COc1ccc2cc(CN(C)C(=O)CN[C@@H](C)c3cccc(NC(C)=O)c3)ccc2c1 ZINC000539233702 938822915 /nfs/dbraw/zinc/82/29/15/938822915.db2.gz LXIKOXNFGCJGHM-KRWDZBQOSA-N 0 1 419.525 4.116 20 0 HIADMN COc1ccc([C@@H](C)NCC(=O)NCc2ccccc2COc2ccccc2)cc1 ZINC000539234361 938823010 /nfs/dbraw/zinc/82/30/10/938823010.db2.gz WZTULTAMAMHSNR-LJQANCHMSA-N 0 1 404.510 4.241 20 0 HIADMN COc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)cc1F ZINC000539242850 938824523 /nfs/dbraw/zinc/82/45/23/938824523.db2.gz CMJDJWFLEGNCKE-KBPBESRZSA-N 0 1 401.507 4.142 20 0 HIADMN CC(C)OCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(Br)cc1 ZINC000539247689 938825183 /nfs/dbraw/zinc/82/51/83/938825183.db2.gz KNZQOPWKDGPYGX-MRXNPFEDSA-N 0 1 419.363 4.341 20 0 HIADMN C[C@@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1OC(F)F ZINC000539246647 938825255 /nfs/dbraw/zinc/82/52/55/938825255.db2.gz PLPCJPPLLLLMKT-AUUYWEPGSA-N 0 1 417.481 4.301 20 0 HIADMN C[C@H](NCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000539251200 938826159 /nfs/dbraw/zinc/82/61/59/938826159.db2.gz KQQQSRSLOAHONG-ZDUSSCGKSA-N 0 1 405.420 4.343 20 0 HIADMN CNC(=O)c1cccc(CN[C@@H](C)c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000539252565 938826482 /nfs/dbraw/zinc/82/64/82/938826482.db2.gz KQVXPTVEMOGCQL-SFHVURJKSA-N 0 1 404.510 4.485 20 0 HIADMN Cc1ccccc1CNC(=O)[C@@H](C)N[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000539252196 938826556 /nfs/dbraw/zinc/82/65/56/938826556.db2.gz HTTXXSJWFTXBRR-WOJBJXKFSA-N 0 1 403.526 4.325 20 0 HIADMN COc1cc([C@H](C)NCC(=O)N2CCSc3ccccc32)ccc1OC(C)C ZINC000539252771 938826684 /nfs/dbraw/zinc/82/66/84/938826684.db2.gz INLDVXXGXZGWMV-INIZCTEOSA-N 0 1 400.544 4.272 20 0 HIADMN CSc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000539253360 938826689 /nfs/dbraw/zinc/82/66/89/938826689.db2.gz SZIQLOIDCJAOQW-INIZCTEOSA-N 0 1 411.571 4.066 20 0 HIADMN CCOc1ccccc1[C@@H](CC)NCC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000539252675 938826755 /nfs/dbraw/zinc/82/67/55/938826755.db2.gz NMORCTNPMWUCTP-HSZRJFAPSA-N 0 1 410.558 4.334 20 0 HIADMN C[C@@H](NCC(=O)N1CCCc2ccccc21)c1cccc(OCc2ccccn2)c1 ZINC000539254113 938827195 /nfs/dbraw/zinc/82/71/95/938827195.db2.gz LVPBUUAVFKXQOX-LJQANCHMSA-N 0 1 401.510 4.291 20 0 HIADMN CCOc1ccccc1[C@H](CC)NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000539253951 938827199 /nfs/dbraw/zinc/82/71/99/938827199.db2.gz JVDFGWGPQABDPX-QFIPXVFZSA-N 0 1 423.557 4.003 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccncc1 ZINC000539256425 938827930 /nfs/dbraw/zinc/82/79/30/938827930.db2.gz BOBQGIHUKJQOMU-RTBURBONSA-N 0 1 419.525 4.197 20 0 HIADMN COc1cc([C@H](C)NCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OC(C)C ZINC000539256451 938828004 /nfs/dbraw/zinc/82/80/04/938828004.db2.gz CTDKQWKZQNAWEZ-RNXZQOMOSA-N 0 1 400.563 4.218 20 0 HIADMN CC[C@@H](NCc1nc2ccccc2nc1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539256950 938828038 /nfs/dbraw/zinc/82/80/38/938828038.db2.gz LVORMNMMBUSLFH-HXUWFJFHSA-N 0 1 418.541 4.180 20 0 HIADMN COc1cc(-c2noc(CN[C@H](C)C(C)(C)c3ccccc3)n2)cc(OC)c1OC ZINC000539256654 938828171 /nfs/dbraw/zinc/82/81/71/938828171.db2.gz GGAGWCMIRBONPJ-OAHLLOKOSA-N 0 1 411.502 4.218 20 0 HIADMN Cc1c2ccccc2oc1[C@@H](NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000539259075 938828692 /nfs/dbraw/zinc/82/86/92/938828692.db2.gz MHHNNMLQYYKMDK-NRFANRHFSA-N 0 1 414.527 4.070 20 0 HIADMN C[C@@H](N[C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000539260759 938828945 /nfs/dbraw/zinc/82/89/45/938828945.db2.gz GYRGUKYLQZADCV-ZIAGYGMSSA-N 0 1 409.490 4.299 20 0 HIADMN COc1ccccc1[C@H](C)NC(=O)CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000539262625 938829153 /nfs/dbraw/zinc/82/91/53/938829153.db2.gz LFZRULGSUPVHKK-CABCVRRESA-N 0 1 410.436 4.164 20 0 HIADMN O=C(CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)Nc1nnc(-c2ccco2)o1 ZINC000539263059 938829441 /nfs/dbraw/zinc/82/94/41/938829441.db2.gz NEFXLUQPZSBAHL-SFHVURJKSA-N 0 1 422.872 4.495 20 0 HIADMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000539266965 938830132 /nfs/dbraw/zinc/83/01/32/938830132.db2.gz RSOITVPVXQSFFE-CYBMUJFWSA-N 0 1 412.408 4.282 20 0 HIADMN CCOc1ccc([C@@H](C)NCC(=O)N(CC)[C@H](C)c2ccc(F)cc2)cc1OC ZINC000539268328 938830403 /nfs/dbraw/zinc/83/04/03/938830403.db2.gz SSUHVTNTKZUQIT-IAGOWNOFSA-N 0 1 402.510 4.493 20 0 HIADMN CCOc1ccc([C@H](C)NCC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000539268329 938830434 /nfs/dbraw/zinc/83/04/34/938830434.db2.gz SSUHVTNTKZUQIT-IRXDYDNUSA-N 0 1 402.510 4.493 20 0 HIADMN COc1cc([C@H](C)NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1OCC(C)C ZINC000539270936 938831060 /nfs/dbraw/zinc/83/10/60/938831060.db2.gz QHQPQIFRUBQMKK-DOTOQJQBSA-N 0 1 416.484 4.182 20 0 HIADMN C[C@@H](NCC(=O)NC1CCC(C)CC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539279263 938832392 /nfs/dbraw/zinc/83/23/92/938832392.db2.gz GVYHFDNDYWHLLL-BQIYRTECSA-N 0 1 411.521 4.424 20 0 HIADMN CCOc1cccc([C@@H](C)NCC(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000539279010 938832399 /nfs/dbraw/zinc/83/23/99/938832399.db2.gz ZRPZFWKGAQCKQG-UTKZUKDTSA-N 0 1 412.530 4.117 20 0 HIADMN CCOc1cccc([C@H](C)NCC(=O)N(C)Cc2cc(Br)cs2)c1 ZINC000539278943 938832534 /nfs/dbraw/zinc/83/25/34/938832534.db2.gz XUTXYFLWHGCJIA-ZDUSSCGKSA-N 0 1 411.365 4.219 20 0 HIADMN Cc1ccc(CNC(=O)CN[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000539278850 938832544 /nfs/dbraw/zinc/83/25/44/938832544.db2.gz ARSGLSUYINFNHF-GOSISDBHSA-N 0 1 419.500 4.353 20 0 HIADMN COc1cc(F)c([C@@H](C)NC[C@@H](O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000539286414 938833661 /nfs/dbraw/zinc/83/36/61/938833661.db2.gz KDHSVVUHVUZNQH-DGCLKSJQSA-N 0 1 418.292 4.240 20 0 HIADMN C[C@H](N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)Nc1cccc(F)c1 ZINC000539286531 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HIADMN COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000541209428 939485769 /nfs/dbraw/zinc/48/57/69/939485769.db2.gz KLVVOFSUCRZRMA-KGLIPLIRSA-N 0 1 403.548 4.295 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)CC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000541237328 939487037 /nfs/dbraw/zinc/48/70/37/939487037.db2.gz GVFGNPBMUUPNGS-UHFFFAOYSA-N 0 1 412.496 4.488 20 0 HIADMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Cc1ccccc1Br ZINC000541263975 939488360 /nfs/dbraw/zinc/48/83/60/939488360.db2.gz KBTRLLKDYJNRGT-UHFFFAOYSA-N 0 1 406.280 4.277 20 0 HIADMN CC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000541329104 939491043 /nfs/dbraw/zinc/49/10/43/939491043.db2.gz VYYRWEROBNWNHD-KRWDZBQOSA-N 0 1 403.482 4.153 20 0 HIADMN CC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000541329105 939491080 /nfs/dbraw/zinc/49/10/80/939491080.db2.gz VYYRWEROBNWNHD-QGZVFWFLSA-N 0 1 403.482 4.153 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000541397800 939505371 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CC[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1c(C)nn(C)c1C ZINC000541595858 939562910 /nfs/dbraw/zinc/56/29/10/939562910.db2.gz TUTPQLOLDZQQSU-SUMWQHHRSA-N 0 1 415.538 4.367 20 0 HIADMN CC[C@@H](N[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1c(C)nn(C)c1C ZINC000541595855 939562930 /nfs/dbraw/zinc/56/29/30/939562930.db2.gz TUTPQLOLDZQQSU-CXAGYDPISA-N 0 1 415.538 4.367 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000541600802 939565551 /nfs/dbraw/zinc/56/55/51/939565551.db2.gz XSUXVGQBNPDFCV-KOLCDFICSA-N 0 1 404.383 4.018 20 0 HIADMN CCN(Cc1ccccc1)C(=O)[C@@H](C)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000541609877 939569468 /nfs/dbraw/zinc/56/94/68/939569468.db2.gz CSBOHAVLAYYGKC-ZWKOTPCHSA-N 0 1 408.521 4.408 20 0 HIADMN CCN(Cc1ccccc1)C(=O)[C@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000541609864 939569485 /nfs/dbraw/zinc/56/94/85/939569485.db2.gz CSBOHAVLAYYGKC-MSOLQXFVSA-N 0 1 408.521 4.408 20 0 HIADMN C[C@H](NCCCCOc1cccc(C(F)(F)F)c1)c1nnnn1-c1ccccc1 ZINC000541641230 939582658 /nfs/dbraw/zinc/58/26/58/939582658.db2.gz RLQJFPSROSIDRR-HNNXBMFYSA-N 0 1 405.424 4.191 20 0 HIADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000541660100 939592415 /nfs/dbraw/zinc/59/24/15/939592415.db2.gz WKEBWTMIBPFRGM-OAHLLOKOSA-N 0 1 423.538 4.487 20 0 HIADMN COc1cccc(CNC(=O)CN[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)c1 ZINC000541661199 939593529 /nfs/dbraw/zinc/59/35/29/939593529.db2.gz RUGLIXPHOIMPDG-MRXNPFEDSA-N 0 1 409.555 4.403 20 0 HIADMN COc1ccccc1Oc1ccc(CN[C@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000541733684 939616711 /nfs/dbraw/zinc/61/67/11/939616711.db2.gz GQUCRKYGUXDBSG-GOSISDBHSA-N 0 1 411.523 4.440 20 0 HIADMN CCC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000541738679 939617864 /nfs/dbraw/zinc/61/78/64/939617864.db2.gz QHGPSIJNWLSXQC-SFHVURJKSA-N 0 1 416.543 4.291 20 0 HIADMN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1n[nH]c2ccc(Br)cc21 ZINC000541748694 939619832 /nfs/dbraw/zinc/61/98/32/939619832.db2.gz FADRSRWBLZWHIG-YOEHRIQHSA-N 0 1 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COc1ccc(CCNC(=O)[C@H](C)N(C)CCc2cccc3ccccc32)cc1OC ZINC000303139291 854780335 /nfs/dbraw/zinc/78/03/35/854780335.db2.gz PSXPZIBVRJJGQR-IBGZPJMESA-N 0 1 420.553 4.079 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000303138138 854780579 /nfs/dbraw/zinc/78/05/79/854780579.db2.gz TUHFUKXKMKYSLB-UTKZUKDTSA-N 0 1 423.582 4.391 20 0 HIADMN C[C@H](CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)NC(=O)C1CCCC1 ZINC000303156375 854790402 /nfs/dbraw/zinc/79/04/02/854790402.db2.gz NYAJAUGSUGIESS-CQSZACIVSA-N 0 1 408.477 4.393 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000303166017 854796437 /nfs/dbraw/zinc/79/64/37/854796437.db2.gz YABXXCUSGCYPFM-HNNXBMFYSA-N 0 1 421.919 4.180 20 0 HIADMN Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)N2CCCC2)o1 ZINC000303173110 854799993 /nfs/dbraw/zinc/79/99/93/854799993.db2.gz RUYHIWPUIYNTAS-WBVHZDCISA-N 0 1 410.436 4.327 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccccc3C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000303187426 854807979 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O=C(COc1ccc(Cl)cc1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000303324383 854871575 /nfs/dbraw/zinc/87/15/75/854871575.db2.gz SAKNNWNIXPKNNG-UHFFFAOYSA-N 0 1 407.341 4.401 20 0 HIADMN CN1CCN(c2ccc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000303417887 854919681 /nfs/dbraw/zinc/91/96/81/854919681.db2.gz TUICONCFACUDCL-UHFFFAOYSA-N 0 1 418.419 4.071 20 0 HIADMN Cc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3Cl)c2C)N2CCCC2)o1 ZINC000303425060 854927254 /nfs/dbraw/zinc/92/72/54/854927254.db2.gz BQHOWHJCEXQTMU-FQEVSTJZSA-N 0 1 412.921 4.302 20 0 HIADMN CN(CCCc1nc(-c2ccccc2)no1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000303436374 854937646 /nfs/dbraw/zinc/93/76/46/854937646.db2.gz DPGGWBGPGYUVRB-LJQANCHMSA-N 0 1 410.905 4.060 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H](C)c3oc4ccccc4c3C)n2)cc1 ZINC000303444248 854942551 /nfs/dbraw/zinc/94/25/51/854942551.db2.gz GNZRHUPGLFGYJS-CQSZACIVSA-N 0 1 405.458 4.095 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)N[C@H](C)c3oc4ccccc4c3C)n[nH]2)cc1 ZINC000303444248 854942560 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417.475 4.195 20 0 HIADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 ZINC000303515900 855003603 /nfs/dbraw/zinc/00/36/03/855003603.db2.gz UKZOAZIQXHXCGL-GQWLDOHISA-N 0 1 402.460 4.372 20 0 HIADMN C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 ZINC000303515903 855003700 /nfs/dbraw/zinc/00/37/00/855003700.db2.gz UKZOAZIQXHXCGL-NQERJWCQSA-N 0 1 402.460 4.372 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccc(F)cc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000303577622 855052531 /nfs/dbraw/zinc/05/25/31/855052531.db2.gz QESUOXBLSKXRTF-INIZCTEOSA-N 0 1 417.378 4.330 20 0 HIADMN Cc1ccc([C@@H]2CSCCN2C(=O)NCc2ccc(F)c(CN(C)C)c2)cc1 ZINC000303656193 855110409 /nfs/dbraw/zinc/11/04/09/855110409.db2.gz LSCBFASLGNHRMI-NRFANRHFSA-N 0 1 401.551 4.195 20 0 HIADMN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000303656905 855110600 /nfs/dbraw/zinc/11/06/00/855110600.db2.gz LWZOWKCFELYOAG-AWEZNQCLSA-N 0 1 413.370 4.497 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)Cc1ccccc1OC(F)F)N1CCCCC1 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ZINC000409719180 855619417 /nfs/dbraw/zinc/61/94/17/855619417.db2.gz JLYMYIIVRMMPFN-FQEVSTJZSA-N 0 1 406.486 4.275 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CCCC[C@H]2C(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409752817 855636034 /nfs/dbraw/zinc/63/60/34/855636034.db2.gz QAVTXVHHSLVPDC-XOKHGSTOSA-N 0 1 403.876 4.301 20 0 HIADMN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000409766276 855642520 /nfs/dbraw/zinc/64/25/20/855642520.db2.gz LDNGNLVPJGLFKF-UHFFFAOYSA-N 0 1 412.291 4.409 20 0 HIADMN Cc1ccccc1[C@]1(F)CCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000409771500 855645970 /nfs/dbraw/zinc/64/59/70/855645970.db2.gz RBMLHMAKMQFJFS-CYFREDJKSA-N 0 1 410.537 4.196 20 0 HIADMN C[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)c1cccc(Br)c1 ZINC000409798546 855658539 /nfs/dbraw/zinc/65/85/39/855658539.db2.gz UPPFQLGZUPMDHK-HNNXBMFYSA-N 0 1 419.388 4.489 20 0 HIADMN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N[C@H](C)c2ccccc2SC)c1 ZINC000409843825 855683571 /nfs/dbraw/zinc/68/35/71/855683571.db2.gz PFEOHUDUELUCPI-PMPSAXMXSA-N 0 1 402.560 4.342 20 0 HIADMN CSc1ccccc1[C@@H](C)N[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000409871820 855698110 /nfs/dbraw/zinc/69/81/10/855698110.db2.gz YQEXKITUWNKCRN-BZUAXINKSA-N 0 1 400.544 4.096 20 0 HIADMN CC[C@H](NCc1cc(S(C)(=O)=O)ccc1F)c1ccc(Br)cc1 ZINC000409872912 855699332 /nfs/dbraw/zinc/69/93/32/855699332.db2.gz WXTCZVFTMIYMHI-KRWDZBQOSA-N 0 1 400.313 4.233 20 0 HIADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N[C@@H]1CCOc2c(Br)cccc21 ZINC000409897506 855712233 /nfs/dbraw/zinc/71/22/33/855712233.db2.gz LMNKQNUWHMINRL-DNVCBOLYSA-N 0 1 417.347 4.218 20 0 HIADMN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(CN3CCSCC3)cc2)n1 ZINC000409898238 855713013 /nfs/dbraw/zinc/71/30/13/855713013.db2.gz MPILSFXXLWYCSA-UHFFFAOYSA-N 0 1 406.555 4.290 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)c3c(F)cccc3SC)CCN2C2CC2)c1 ZINC000409911119 855719452 /nfs/dbraw/zinc/71/94/52/855719452.db2.gz MFTUSXBCMLYDIX-RXVVDRJESA-N 0 1 400.519 4.264 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)c3c(F)cccc3SC)CCN2C2CC2)c1 ZINC000409911120 855719681 /nfs/dbraw/zinc/71/96/81/855719681.db2.gz MFTUSXBCMLYDIX-WIYYLYMNSA-N 0 1 400.519 4.264 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc4c(c3)nc(C(F)F)n4C)cccc21 ZINC000410001199 855772289 /nfs/dbraw/zinc/77/22/89/855772289.db2.gz ADJWZYCWWAWEFB-MRXNPFEDSA-N 0 1 400.429 4.148 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc(F)c1 ZINC000410139389 855836091 /nfs/dbraw/zinc/83/60/91/855836091.db2.gz LAGQRHRCHLXKNV-QGZVFWFLSA-N 0 1 401.379 4.086 20 0 HIADMN CN(C)[C@@H](CNC(=O)NCc1cccc(NC(=O)c2ccccc2)c1)c1ccsc1 ZINC000410253038 855882723 /nfs/dbraw/zinc/88/27/23/855882723.db2.gz BJEXGDKKEWXAHN-NRFANRHFSA-N 0 1 422.554 4.103 20 0 HIADMN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)NC1CCN(Cc2ccccn2)CC1 ZINC000410334135 855934011 /nfs/dbraw/zinc/93/40/11/855934011.db2.gz XEYJGAZYHPZWLX-UHFFFAOYSA-N 0 1 422.529 4.299 20 0 HIADMN COc1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)ccc1OC1CCCC1 ZINC000410333316 855934603 /nfs/dbraw/zinc/93/46/03/855934603.db2.gz QGXGJTOCDNHPIS-SFHVURJKSA-N 0 1 408.542 4.193 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(F)cc3Cl)cc2)C[C@H](C)O1 ZINC000410352208 855943480 /nfs/dbraw/zinc/94/34/80/855943480.db2.gz JCAHMRYHHAIUCM-GJZGRUSLSA-N 0 1 405.901 4.410 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)N(C)Cc3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000410351840 855943507 /nfs/dbraw/zinc/94/35/07/855943507.db2.gz GDWSKYBGQSCXHO-ROUUACIJSA-N 0 1 415.965 4.291 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCc4sccc4[C@H]3C)cc2)C[C@@H](C)O1 ZINC000410350138 855943809 /nfs/dbraw/zinc/94/38/09/855943809.db2.gz IBMRGNFEMZOGKQ-KZNAEPCWSA-N 0 1 413.587 4.186 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(F)cc3Cl)cc2)C[C@@H](C)O1 ZINC000410352209 855945012 /nfs/dbraw/zinc/94/50/12/855945012.db2.gz JCAHMRYHHAIUCM-HUUCEWRRSA-N 0 1 405.901 4.410 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)NCCc3ccc(Cl)s3)cc2)C[C@H](C)O1 ZINC000410358538 855948606 /nfs/dbraw/zinc/94/86/06/855948606.db2.gz JKBMPIQCUMWNSF-IYBDPMFKSA-N 0 1 421.994 4.053 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(OC(F)F)c3)cc2)C[C@H](C)O1 ZINC000410358566 855948871 /nfs/dbraw/zinc/94/88/71/855948871.db2.gz JSTHFQGYGBTIMH-IYBDPMFKSA-N 0 1 419.472 4.219 20 0 HIADMN CCOc1cc(F)ccc1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000410364512 855952903 /nfs/dbraw/zinc/95/29/03/855952903.db2.gz IOHCGAGDEHXARX-IAGOWNOFSA-N 0 1 415.509 4.155 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C(C)C)sc3c2)cc1OC ZINC000410376743 855960722 /nfs/dbraw/zinc/96/07/22/855960722.db2.gz WADXBWOFJFWGAF-UHFFFAOYSA-N 0 1 420.512 4.016 20 0 HIADMN COc1ccsc1S(=O)(=O)Nc1cc(F)c(Br)cc1Cl ZINC000410404750 855979124 /nfs/dbraw/zinc/97/91/24/855979124.db2.gz WFGXKWGYGWUOQS-UHFFFAOYSA-N 0 1 400.678 4.113 20 0 HIADMN O=c1cc(CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)nc2ccccn12 ZINC000425917391 855997279 /nfs/dbraw/zinc/99/72/79/855997279.db2.gz KVYYFRFIQPYANJ-SFHVURJKSA-N 0 1 416.294 4.227 20 0 HIADMN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2csc(C(=O)OC)c2)c1C ZINC000425975345 856026123 /nfs/dbraw/zinc/02/61/23/856026123.db2.gz DYIYETIVZDFJNA-UHFFFAOYSA-N 0 1 411.545 4.349 20 0 HIADMN CCN(CCNC(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl)CCC(F)(F)F ZINC000425992993 856034829 /nfs/dbraw/zinc/03/48/29/856034829.db2.gz IZUWYHWTDZLHDO-GFCCVEGCSA-N 0 1 414.255 4.000 20 0 HIADMN COc1ccc([C@H](CNC(=O)CCCc2csc(C)n2)N2CCCCC2)cc1 ZINC000426035543 856062464 /nfs/dbraw/zinc/06/24/64/856062464.db2.gz MTPMJDKHGPJVPF-NRFANRHFSA-N 0 1 401.576 4.126 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnn(-c4ccncc4)c3C(F)F)[nH]c2c1 ZINC000426095264 856104725 /nfs/dbraw/zinc/10/47/25/856104725.db2.gz BGMHBACMURKWDZ-GOSISDBHSA-N 0 1 422.439 4.367 20 0 HIADMN COCc1nc([C@@H]2CCCCN2C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)n[nH]1 ZINC000426110869 856114708 /nfs/dbraw/zinc/11/47/08/856114708.db2.gz GTRVBXJVUAPFGQ-HNNXBMFYSA-N 0 1 408.289 4.107 20 0 HIADMN CCN(CCNC(=O)N[C@@H](C)c1ccc(Br)s1)CCC(F)(F)F ZINC000426119422 856119632 /nfs/dbraw/zinc/11/96/32/856119632.db2.gz YBADJLXWHKQZRY-JTQLQIEISA-N 0 1 416.307 4.145 20 0 HIADMN CC(C)c1ccc(-c2nc(CN3CC[C@H](C(=O)NCC(F)(F)F)C3)cs2)cc1 ZINC000426125614 856123783 /nfs/dbraw/zinc/12/37/83/856123783.db2.gz HCIPZJAYJYWVES-INIZCTEOSA-N 0 1 411.493 4.434 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccccc3CN3C[C@@H](C)O[C@@H](C)C3)[nH]c21 ZINC000426142739 856135861 /nfs/dbraw/zinc/13/58/61/856135861.db2.gz WKVSIDIKPPHLBY-HDICACEKSA-N 0 1 406.530 4.052 20 0 HIADMN CCN(C(=O)Nc1ccccc1N1CCN(CC)CC1)[C@H](C)Cc1ccsc1 ZINC000426183472 856161183 /nfs/dbraw/zinc/16/11/83/856161183.db2.gz MEYPUHAKPHHZCM-GOSISDBHSA-N 0 1 400.592 4.375 20 0 HIADMN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000426267691 856211339 /nfs/dbraw/zinc/21/13/39/856211339.db2.gz NWUXMVSVGMXLPL-ZDUSSCGKSA-N 0 1 409.902 4.588 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)[nH]c21 ZINC000426288480 856222974 /nfs/dbraw/zinc/22/29/74/856222974.db2.gz BUAXULTWIBOSAQ-UHFFFAOYSA-N 0 1 411.868 4.480 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)n[nH]1 ZINC000426388328 856270486 /nfs/dbraw/zinc/27/04/86/856270486.db2.gz GFWVGQWREZPDGO-SGTLLEGYSA-N 0 1 413.522 4.289 20 0 HIADMN O=C(CCC1CCCC1)N1CCN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000426436910 856290183 /nfs/dbraw/zinc/29/01/83/856290183.db2.gz SXQQGSOOVMJFTF-UHFFFAOYSA-N 0 1 420.966 4.046 20 0 HIADMN CC[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(Cl)s1 ZINC000426469956 856309078 /nfs/dbraw/zinc/30/90/78/856309078.db2.gz JQPBRBYLFQTQBP-BZSNNMDCSA-N 0 1 421.994 4.035 20 0 HIADMN CC[C@]1(CO)CCCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000426474576 856309604 /nfs/dbraw/zinc/30/96/04/856309604.db2.gz UQMVSSUMRXIMBN-GOTSBHOMSA-N 0 1 400.950 4.030 20 0 HIADMN COc1ccccc1[C@@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)c1ccco1 ZINC000426482541 856314546 /nfs/dbraw/zinc/31/45/46/856314546.db2.gz LUQRMBGMCXLXBQ-JOCHJYFZSA-N 0 1 411.477 4.078 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)N(Cc2cc(Br)ccc2F)C(C)C)n[nH]1 ZINC000426502134 856321953 /nfs/dbraw/zinc/32/19/53/856321953.db2.gz XXGYBTZJNHBEKU-GFCCVEGCSA-N 0 1 411.319 4.171 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)n[nH]1 ZINC000426507566 856324107 /nfs/dbraw/zinc/32/41/07/856324107.db2.gz KOMYJNXXFGXMMW-MEDUHNTESA-N 0 1 423.380 4.290 20 0 HIADMN CCc1cccc2c(C3CCN(C(=O)c4cn[nH]c4-c4cnn(CC)c4)CC3)c[nH]c21 ZINC000426614856 856374713 /nfs/dbraw/zinc/37/47/13/856374713.db2.gz HOLFNJKHXAJBGM-UHFFFAOYSA-N 0 1 416.529 4.357 20 0 HIADMN CC(C)Sc1cc(Br)ccc1C[NH2+]Cc1nc(C(=O)[O-])cs1 ZINC000426657648 856397458 /nfs/dbraw/zinc/39/74/58/856397458.db2.gz QNJUPAOVKIIUEE-UHFFFAOYSA-N 0 1 401.351 4.394 20 0 HIADMN O=C([O-])[C@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000426751267 856455276 /nfs/dbraw/zinc/45/52/76/856455276.db2.gz URJPCQDEPZZVJY-IBGZPJMESA-N 0 1 412.436 4.220 20 0 HIADMN Cc1nc([C@H]2CCCN2CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cs1 ZINC000426752844 856456296 /nfs/dbraw/zinc/45/62/96/856456296.db2.gz FQNFDDWTIPFJNV-OAHLLOKOSA-N 0 1 409.437 4.122 20 0 HIADMN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)o1 ZINC000426777577 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HIADMN COc1ccc2[nH]c(C(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)cc2c1 ZINC000466986863 880799258 /nfs/dbraw/zinc/79/92/58/880799258.db2.gz ZTISOIKKURLQTA-QKKBWIMNSA-N 0 1 415.896 4.392 20 0 HIADMN COc1ccc2[nH]c(C(=O)NC[C@@H]3CCN(C)[C@H]3c3ccc(Cl)c(F)c3)cc2c1 ZINC000466986863 880799280 /nfs/dbraw/zinc/79/92/80/880799280.db2.gz ZTISOIKKURLQTA-QKKBWIMNSA-N 0 1 415.896 4.392 20 0 HIADMN C/C=C\c1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(COC)o2)c(OC)c1 ZINC000467014424 880817936 /nfs/dbraw/zinc/81/79/36/880817936.db2.gz CBDSNCCOWMGZOP-KIZWRVFCSA-N 0 1 401.503 4.045 20 0 HIADMN O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467019077 880820914 /nfs/dbraw/zinc/82/09/14/880820914.db2.gz SWWMMTVZOHZDOS-GFCCVEGCSA-N 0 1 419.396 4.061 20 0 HIADMN COCc1ccc([C@@H]2CCCN2C[C@@H](O)COc2c(Cl)cccc2Cl)o1 ZINC000467021242 880823132 /nfs/dbraw/zinc/82/31/32/880823132.db2.gz FISMKVHEJUBMFO-DYVFJYSZSA-N 0 1 400.302 4.310 20 0 HIADMN COCc1ccc([C@H]2CCCN2C[C@@H](O)COc2c(Cl)cccc2Cl)o1 ZINC000467021241 880823303 /nfs/dbraw/zinc/82/33/03/880823303.db2.gz FISMKVHEJUBMFO-CXAGYDPISA-N 0 1 400.302 4.310 20 0 HIADMN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000467054422 880844399 /nfs/dbraw/zinc/84/43/99/880844399.db2.gz STBGLAMFYWYWDD-HTAPYJJXSA-N 0 1 419.525 4.263 20 0 HIADMN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cc(Br)cc2nc[nH]c21 ZINC000503548272 912613778 /nfs/dbraw/zinc/61/37/78/912613778.db2.gz JZYJVIUACOWFID-UHFFFAOYSA-N 0 1 406.190 4.392 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(Br)cc2[nH]cnc21 ZINC000503548272 912613793 /nfs/dbraw/zinc/61/37/93/912613793.db2.gz JZYJVIUACOWFID-UHFFFAOYSA-N 0 1 406.190 4.392 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)ccc1C ZINC000467079666 880853246 /nfs/dbraw/zinc/85/32/46/880853246.db2.gz PNLGNTXMPIDQIU-UHFFFAOYSA-N 0 1 419.446 4.079 20 0 HIADMN O=C(Nc1ccc2c(c1)CCC2)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467106550 880866128 /nfs/dbraw/zinc/86/61/28/880866128.db2.gz VDQKQKBBCAAQQN-KRWDZBQOSA-N 0 1 401.392 4.223 20 0 HIADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2c(F)cc(F)cc2Br)C1 ZINC000467135208 880881691 /nfs/dbraw/zinc/88/16/91/880881691.db2.gz GXDOJNFIAUDGIA-VXGBXAGGSA-N 0 1 407.324 4.272 20 0 HIADMN O=C(Nc1ccc2[nH]ccc2c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467143396 880884261 /nfs/dbraw/zinc/88/42/61/880884261.db2.gz DTVYPDASWSHAAX-MRXNPFEDSA-N 0 1 400.364 4.216 20 0 HIADMN CC[C@@H](CO)N(CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccccc1 ZINC000467185314 880912534 /nfs/dbraw/zinc/91/25/34/880912534.db2.gz GESDOWHOXNUHES-QFIPXVFZSA-N 0 1 417.553 4.057 20 0 HIADMN COC(=O)COc1ccc([C@@H](C)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000467193510 880921578 /nfs/dbraw/zinc/92/15/78/880921578.db2.gz BWHRHWMSVPXVJQ-GOSISDBHSA-N 0 1 418.493 4.342 20 0 HIADMN O=C(Nc1nc(-c2cccc(Br)c2)cs1)[C@H]1CCCc2[nH]ncc21 ZINC000467195150 880922804 /nfs/dbraw/zinc/92/28/04/880922804.db2.gz FQXZKEUIJMTARP-LBPRGKRZSA-N 0 1 403.305 4.354 20 0 HIADMN C[C@]1(Cc2ccccc2)CCCN1CC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000467232694 880959625 /nfs/dbraw/zinc/95/96/25/880959625.db2.gz YIRUOFLZBIQBDB-LADGPHEKSA-N 0 1 405.567 4.446 20 0 HIADMN Cc1nnc(SCCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)[nH]1 ZINC000467248804 880975987 /nfs/dbraw/zinc/97/59/87/880975987.db2.gz XYDAZYJDIWYEDE-UHFFFAOYSA-N 0 1 413.469 4.243 20 0 HIADMN COc1ccccc1S(=O)(=O)CCCN[C@H](c1ccccc1)c1cccc(F)c1 ZINC000467255870 880990410 /nfs/dbraw/zinc/99/04/10/880990410.db2.gz IWHWMNDCSADIOG-HSZRJFAPSA-N 0 1 413.514 4.377 20 0 HIADMN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000467264823 881003188 /nfs/dbraw/zinc/00/31/88/881003188.db2.gz QMYHOXQBKFCFRK-WIYYLYMNSA-N 0 1 403.526 4.498 20 0 HIADMN COC[C@@H]1CCCCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC000467269777 881011236 /nfs/dbraw/zinc/01/12/36/881011236.db2.gz VORMMULPDKSYHA-ZIAGYGMSSA-N 0 1 409.502 4.164 20 0 HIADMN COCC[C@H]1CCCCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000467269707 881011318 /nfs/dbraw/zinc/01/13/18/881011318.db2.gz UTCIHTVAMYXPGH-GOSISDBHSA-N 0 1 402.535 4.195 20 0 HIADMN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000467273695 881016238 /nfs/dbraw/zinc/01/62/38/881016238.db2.gz BBSVUFXEFQAFKP-SFHVURJKSA-N 0 1 416.525 4.261 20 0 HIADMN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)N1CCN(C(C)C)CC1 ZINC000467279046 881023790 /nfs/dbraw/zinc/02/37/90/881023790.db2.gz PUZWHDLFJOTCMF-UHFFFAOYSA-N 0 1 414.937 4.459 20 0 HIADMN COC(=O)c1ccccc1CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467292198 881039512 /nfs/dbraw/zinc/03/95/12/881039512.db2.gz RPMSRGBFBBWEAH-UHFFFAOYSA-N 0 1 418.331 4.417 20 0 HIADMN O=C([C@H]1CCCc2[nH]ncc21)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000467297184 881044478 /nfs/dbraw/zinc/04/44/78/881044478.db2.gz MZFHRXSYTYFUPX-AWEZNQCLSA-N 0 1 400.935 4.499 20 0 HIADMN C[C@@H]1CCCC[C@@H]1NC(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301659 881050454 /nfs/dbraw/zinc/05/04/54/881050454.db2.gz PSVRXAMOTYMHDT-UZLBHIALSA-N 0 1 423.395 4.125 20 0 HIADMN Cc1ccc(NC(=O)CN(Cc2cccc(Br)c2)C2CCOCC2)cc1 ZINC000467302978 881052832 /nfs/dbraw/zinc/05/28/32/881052832.db2.gz PXUBSSRWIDCSSP-UHFFFAOYSA-N 0 1 417.347 4.377 20 0 HIADMN C[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000467334512 881084833 /nfs/dbraw/zinc/08/48/33/881084833.db2.gz XCDIGOSXPKROLI-HXUWFJFHSA-N 0 1 402.542 4.004 20 0 HIADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000467343778 881096352 /nfs/dbraw/zinc/09/63/52/881096352.db2.gz ZISAEOATTPESGF-YWZLYKJASA-N 0 1 405.464 4.198 20 0 HIADMN COc1cc2c(cc1F)CC[C@@H]2N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000467353681 881114044 /nfs/dbraw/zinc/11/40/44/881114044.db2.gz JXAAITTVAFRHEJ-ILWGZMRPSA-N 0 1 404.913 4.137 20 0 HIADMN O=C(Nc1cc(F)c(F)cc1F)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467358794 881121001 /nfs/dbraw/zinc/12/10/01/881121001.db2.gz MDTNHGAVZKPUIN-CQSZACIVSA-N 0 1 415.297 4.152 20 0 HIADMN Fc1cncc([C@@H](NCc2ccc(Br)cc2N2CCOCC2)C2CC2)c1 ZINC000467363218 881130734 /nfs/dbraw/zinc/13/07/34/881130734.db2.gz YTBIOTPPKIIOMQ-FQEVSTJZSA-N 0 1 420.326 4.061 20 0 HIADMN COc1ccc2c(c1)[C@H](NCc1cc(Cl)ccc1N1CCOCC1)CCCO2 ZINC000467390681 881174782 /nfs/dbraw/zinc/17/47/82/881174782.db2.gz PVKXQRCRRYLVHL-HXUWFJFHSA-N 0 1 402.922 4.189 20 0 HIADMN O=S(=O)(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccccc1Br ZINC000467397261 881179886 /nfs/dbraw/zinc/17/98/86/881179886.db2.gz SWIWEXYXYLHZKN-UHFFFAOYSA-N 0 1 406.305 4.394 20 0 HIADMN Cc1ncc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c(C2CC2)n1 ZINC000467402219 881188097 /nfs/dbraw/zinc/18/80/97/881188097.db2.gz FTTAJUBOVZNVPC-UHFFFAOYSA-N 0 1 404.558 4.323 20 0 HIADMN Cc1ccc(-c2nnc([C@H](C)NC[C@H](c3cccs3)N3CCOCC3)o2)cc1C ZINC000467408920 881194824 /nfs/dbraw/zinc/19/48/24/881194824.db2.gz RPIMAAQLWJRVLT-PKOBYXMFSA-N 0 1 412.559 4.139 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](CO)c1cccc(Cl)c1F ZINC000467410230 881197723 /nfs/dbraw/zinc/19/77/23/881197723.db2.gz FMOATRKLQDUTTJ-ZBEGNZNMSA-N 0 1 415.292 4.181 20 0 HIADMN CCS(=O)(=O)c1cccc(CN[C@@H]2CCCOc3c(Br)cccc32)c1 ZINC000467417322 881204552 /nfs/dbraw/zinc/20/45/52/881204552.db2.gz KNPDEGMCQKFLRM-GOSISDBHSA-N 0 1 424.360 4.246 20 0 HIADMN O=S1(=O)CC[C@H](NC2CC(c3ccccc3)C2)c2cc(Br)ccc21 ZINC000467447872 881249866 /nfs/dbraw/zinc/24/98/66/881249866.db2.gz CEZSGHRTTCUEJK-PVARCSIZSA-N 0 1 406.345 4.203 20 0 HIADMN O=C(Nc1ccc(Cl)cc1Br)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467449838 881252553 /nfs/dbraw/zinc/25/25/53/881252553.db2.gz LOYVVMBCNHOTKF-AWEZNQCLSA-N 0 1 406.671 4.132 20 0 HIADMN Cc1cc(C)c(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)c(Br)c1 ZINC000467457650 881264826 /nfs/dbraw/zinc/26/48/26/881264826.db2.gz DNIWHYRHFCTYLV-INIZCTEOSA-N 0 1 400.280 4.095 20 0 HIADMN CCc1cc(Br)ccc1NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467461199 881270343 /nfs/dbraw/zinc/27/03/43/881270343.db2.gz POLKDCOQTWJVLX-INIZCTEOSA-N 0 1 400.280 4.041 20 0 HIADMN Cc1cc(Br)ccc1SCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000467465933 881279132 /nfs/dbraw/zinc/27/91/32/881279132.db2.gz PPNHRAGFADEQEL-UHFFFAOYSA-N 0 1 422.323 4.224 20 0 HIADMN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCN(C)CC34CCCCC4)c12 ZINC000467465636 881279210 /nfs/dbraw/zinc/27/92/10/881279210.db2.gz SRQFESGJBLKYQY-UHFFFAOYSA-N 0 1 423.605 4.463 20 0 HIADMN Cc1c(Br)c2ccccc2n1CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000467486959 881307033 /nfs/dbraw/zinc/30/70/33/881307033.db2.gz JUTMMAPHROBJQO-UHFFFAOYSA-N 0 1 415.266 4.044 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2[C@H](C)CC[C@@H]2C)c1 ZINC000467499850 881314404 /nfs/dbraw/zinc/31/44/04/881314404.db2.gz STGZDDQJSGPORC-OKILXGFUSA-N 0 1 422.934 4.162 20 0 HIADMN CCOc1ccc(-c2nc(C)c(C(=O)NCc3nc4ccc(F)cc4[nH]3)s2)cc1 ZINC000467499204 881314522 /nfs/dbraw/zinc/31/45/22/881314522.db2.gz PNNHQOAJVSSOQS-UHFFFAOYSA-N 0 1 410.474 4.463 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)C3(Cc4ccccc4F)CC3)cc2)C[C@H](C)O1 ZINC000467517944 881334119 /nfs/dbraw/zinc/33/41/19/881334119.db2.gz AWBLPSYSXGWFIW-OALUTQOASA-N 0 1 410.533 4.074 20 0 HIADMN CN1CC[C@H](CNC(=O)CCCc2ccc(O)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469104792 883197168 /nfs/dbraw/zinc/19/71/68/883197168.db2.gz YBNJJQVUNBBSQN-OPAMFIHVSA-N 0 1 422.903 4.456 20 0 HIADMN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000469144031 883240639 /nfs/dbraw/zinc/24/06/39/883240639.db2.gz HIDDJTUCQYUCEO-UHFFFAOYSA-N 0 1 417.506 4.275 20 0 HIADMN CCN(C(=O)CSc1nnc(C)[nH]1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000469161897 883259411 /nfs/dbraw/zinc/25/94/11/883259411.db2.gz NTCHNOCTCRLWNN-NRFANRHFSA-N 0 1 409.559 4.362 20 0 HIADMN CCN(C(=O)CSc1nc(C)n[nH]1)[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC000469161897 883259428 /nfs/dbraw/zinc/25/94/28/883259428.db2.gz NTCHNOCTCRLWNN-NRFANRHFSA-N 0 1 409.559 4.362 20 0 HIADMN Cc1c([C@@H](C)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cnn1C(C)C ZINC000469188632 883286739 /nfs/dbraw/zinc/28/67/39/883286739.db2.gz HBECBRPLAIEVFR-RHSMWYFYSA-N 0 1 408.468 4.243 20 0 HIADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000469240515 883340892 /nfs/dbraw/zinc/34/08/92/883340892.db2.gz PBFOLZCZJHFZLO-SFHVURJKSA-N 0 1 415.262 4.407 20 0 HIADMN COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)CCCCc2cn[nH]n2)c1 ZINC000469262040 883359256 /nfs/dbraw/zinc/35/92/56/883359256.db2.gz YOXKLTUOECKSGC-VWNXMTODSA-N 0 1 404.514 4.284 20 0 HIADMN CCCOc1ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000469277008 883376058 /nfs/dbraw/zinc/37/60/58/883376058.db2.gz NMDIHQKBZWRIAD-FQEVSTJZSA-N 0 1 418.484 4.043 20 0 HIADMN COc1ccc([C@@H](NC(=O)CCCCc2cn[nH]n2)c2ccccc2Cl)c(C)c1 ZINC000469294463 883390139 /nfs/dbraw/zinc/39/01/39/883390139.db2.gz SDLSHFCRYWRSKM-JOCHJYFZSA-N 0 1 412.921 4.394 20 0 HIADMN O=C1[C@H](N[C@H]2CCSc3c(F)cccc32)CCCN1Cc1ccc(F)cc1F ZINC000469300606 883399224 /nfs/dbraw/zinc/39/92/24/883399224.db2.gz ZZAZLGKRHCKXOM-RBUKOAKNSA-N 0 1 406.473 4.422 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)CCc3cc(Br)cs3)cccc21 ZINC000469303985 883400617 /nfs/dbraw/zinc/40/06/17/883400617.db2.gz YRIBMSYYGGNMGZ-MRXNPFEDSA-N 0 1 409.349 4.467 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(-c4nc(C5CC5)no4)cc3)cccc21 ZINC000469341820 883457430 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C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000469364711 883486608 /nfs/dbraw/zinc/48/66/08/883486608.db2.gz QJNGZBWTOFZHCW-SCLBCKFNSA-N 0 1 408.420 4.497 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)Cc3ccc(OCc4ccccn4)cc3)cccc21 ZINC000469365588 883487692 /nfs/dbraw/zinc/48/76/92/883487692.db2.gz VLZAKRGMPBFRKM-HSZRJFAPSA-N 0 1 417.509 4.227 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)c1cccc(C(F)(F)F)c1 ZINC000469446427 883641689 /nfs/dbraw/zinc/64/16/89/883641689.db2.gz OHUGYBJEWDEAMV-LJQANCHMSA-N 0 1 417.435 4.316 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469447685 883645215 /nfs/dbraw/zinc/64/52/15/883645215.db2.gz FQWIZJAFIOMAOB-OAHLLOKOSA-N 0 1 415.484 4.205 20 0 HIADMN CN(C)[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(C(F)(F)F)c1 ZINC000469477450 883706690 /nfs/dbraw/zinc/70/66/90/883706690.db2.gz GDYCPBRDAFRUIW-QGZVFWFLSA-N 0 1 423.460 4.384 20 0 HIADMN COc1ccccc1SCC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469479262 883710982 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4.242 20 0 HIADMN Cn1cc(-c2cc(CN3CCCN(c4ccc(Cl)c(Cl)c4)CC3)on2)cn1 ZINC000469514610 883775154 /nfs/dbraw/zinc/77/51/54/883775154.db2.gz ZDYDWIHRLKPSRS-UHFFFAOYSA-N 0 1 406.317 4.094 20 0 HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NCc3cc(-c4cnn(C)c4)no3)s2)cc1 ZINC000469521179 883788139 /nfs/dbraw/zinc/78/81/39/883788139.db2.gz WVJYYXYHQWDYGT-CYBMUJFWSA-N 0 1 409.515 4.366 20 0 HIADMN CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000469528411 883800472 /nfs/dbraw/zinc/80/04/72/883800472.db2.gz CUSZCKANJGYCLL-UHFFFAOYSA-N 0 1 417.557 4.131 20 0 HIADMN CCN(CC)[C@H](C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1)c1ccccc1 ZINC000469528718 883801370 /nfs/dbraw/zinc/80/13/70/883801370.db2.gz IITMKAVLRCAZNX-UZLBHIALSA-N 0 1 408.502 4.006 20 0 HIADMN Cc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c1Br ZINC000469576161 883820057 /nfs/dbraw/zinc/82/00/57/883820057.db2.gz IBSGZDWOBYQJGN-CYBMUJFWSA-N 0 1 404.312 4.165 20 0 HIADMN CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(CN3CCN(C)CC3)cc2)o1 ZINC000469669659 883861417 /nfs/dbraw/zinc/86/14/17/883861417.db2.gz KKNXHXJFUNFPRG-QHCPKHFHSA-N 0 1 409.574 4.347 20 0 HIADMN Cc1cccc(N2CCN(CCC(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)CC2)c1 ZINC000469682806 883868520 /nfs/dbraw/zinc/86/85/20/883868520.db2.gz WSQQNJKTPJADQI-HXUWFJFHSA-N 0 1 418.541 4.040 20 0 HIADMN COc1c(F)cc(F)cc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469683556 883869191 /nfs/dbraw/zinc/86/91/91/883869191.db2.gz MCTFWUCQQIIBJR-INIZCTEOSA-N 0 1 417.378 4.417 20 0 HIADMN CN(c1ccccc1)C1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469711192 883882437 /nfs/dbraw/zinc/88/24/37/883882437.db2.gz BLRBGMVYKRTGHT-QHCPKHFHSA-N 0 1 413.512 4.057 20 0 HIADMN CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C[C@H](O)CC(F)(F)F ZINC000469712555 883883330 /nfs/dbraw/zinc/88/33/30/883883330.db2.gz IJNNPADQABWNDX-LLVKDONJSA-N 0 1 420.781 4.321 20 0 HIADMN O=C1[C@@H](N2CCC(Nc3ccc(F)cc3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469724807 883887143 /nfs/dbraw/zinc/88/71/43/883887143.db2.gz IKMIVMOEKXKPSM-QFIPXVFZSA-N 0 1 417.475 4.171 20 0 HIADMN O=C1[C@H](N2CCC(Nc3ccc(F)cc3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469724806 883887323 /nfs/dbraw/zinc/88/73/23/883887323.db2.gz IKMIVMOEKXKPSM-JOCHJYFZSA-N 0 1 417.475 4.171 20 0 HIADMN CN1CC[C@H](CNC(=O)[C@H]2CCCN2c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469732521 883890293 /nfs/dbraw/zinc/89/02/93/883890293.db2.gz CNLNIQUBOFSNCT-YHYVQYDKSA-N 0 1 415.940 4.257 20 0 HIADMN COc1ccccc1C(C)(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469753350 883916245 /nfs/dbraw/zinc/91/62/45/883916245.db2.gz SCQFQBDUJSGHGO-GOSISDBHSA-N 0 1 408.464 4.411 20 0 HIADMN Cc1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)nn1[C@H](C)C1CC1 ZINC000469759245 883926153 /nfs/dbraw/zinc/92/61/53/883926153.db2.gz XHFQZIKDKFBZMX-KUHUBIRLSA-N 0 1 408.468 4.214 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1sccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000469769888 883942650 /nfs/dbraw/zinc/94/26/50/883942650.db2.gz RHDQMGAFPQLENZ-LBPRGKRZSA-N 0 1 408.392 4.401 20 0 HIADMN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000469810737 883986125 /nfs/dbraw/zinc/98/61/25/883986125.db2.gz SEOGABOXHUGYAZ-UHFFFAOYSA-N 0 1 413.370 4.077 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N(Cc2ccccc2)CC(F)F)N2CCCC2)c1 ZINC000469854034 884037685 /nfs/dbraw/zinc/03/76/85/884037685.db2.gz DUQJBGZSUSMLLT-OAQYLSRUSA-N 0 1 417.500 4.309 20 0 HIADMN C[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)n1cnc2ccccc21 ZINC000469875105 884064480 /nfs/dbraw/zinc/06/44/80/884064480.db2.gz SYZLEVRDCXJIFT-LIRRHRJNSA-N 0 1 404.436 4.035 20 0 HIADMN O=C(C[C@@H](c1ccccc1)C(F)(F)F)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000469875095 884064849 /nfs/dbraw/zinc/06/48/49/884064849.db2.gz ZIUJQBMAGDGIFH-UXHICEINSA-N 0 1 422.516 4.456 20 0 HIADMN Cc1[nH]c(SCC(=O)Nc2ccc3nc(N(C)C)oc3c2)nc1Cc1ccccc1 ZINC000469896214 884086938 /nfs/dbraw/zinc/08/69/38/884086938.db2.gz GXZTYXDINFSXPP-UHFFFAOYSA-N 0 1 421.526 4.247 20 0 HIADMN COc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)c2c1 ZINC000503743360 912813332 /nfs/dbraw/zinc/81/33/32/912813332.db2.gz BMGRIQMOFGCOMA-NRFANRHFSA-N 0 1 413.481 4.314 20 0 HIADMN COc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)c2c1 ZINC000503743360 912813334 /nfs/dbraw/zinc/81/33/34/912813334.db2.gz BMGRIQMOFGCOMA-NRFANRHFSA-N 0 1 413.481 4.314 20 0 HIADMN CCN(CC(=O)Nc1cc(C)nn1C)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470153343 884423170 /nfs/dbraw/zinc/42/31/70/884423170.db2.gz SCQJSDAFDOFWTK-SFHVURJKSA-N 0 1 406.530 4.426 20 0 HIADMN CCOC(=O)COc1ccc(CN[C@@H](C)c2ccc(Br)cc2OC)cc1 ZINC000470153059 884423221 /nfs/dbraw/zinc/42/32/21/884423221.db2.gz WJFQLJXPGOBHAS-AWEZNQCLSA-N 0 1 422.319 4.250 20 0 HIADMN O=C(Cc1ccc(NC(=O)c2cccc3cn[nH]c32)cc1)N1CCCc2ccccc21 ZINC000503824339 912832665 /nfs/dbraw/zinc/83/26/65/912832665.db2.gz VRBXVFVGOYXSAJ-UHFFFAOYSA-N 0 1 410.477 4.337 20 0 HIADMN O=C(N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)c1cccc(-c2nnc[nH]2)c1 ZINC000503831550 912834637 /nfs/dbraw/zinc/83/46/37/912834637.db2.gz RHGHMXXOQODTQZ-FQEVSTJZSA-N 0 1 403.873 4.234 20 0 HIADMN OCCOC1(CNC(c2ccccc2Cl)c2ccccc2Cl)CCOCC1 ZINC000503861880 912845095 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/nfs/dbraw/zinc/96/13/60/912961360.db2.gz KHJLVAGAZWYVBS-UHFFFAOYSA-N 0 1 420.296 4.027 20 0 HIADMN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000471175332 885737132 /nfs/dbraw/zinc/73/71/32/885737132.db2.gz CPCWNBUBNHVIKF-SIKLNZKXSA-N 0 1 404.514 4.286 20 0 HIADMN CCN(CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H](C)c1cccc(O)c1 ZINC000471177681 885741301 /nfs/dbraw/zinc/74/13/01/885741301.db2.gz LDFLJGUKQGBYOP-GFCCVEGCSA-N 0 1 406.408 4.309 20 0 HIADMN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CSCC(=O)c1ccc(Cl)cc1)N(C)C ZINC000471178380 885743080 /nfs/dbraw/zinc/74/30/80/885743080.db2.gz RHTTZQNMICHYTN-ZHRRBRCNSA-N 0 1 418.990 4.372 20 0 HIADMN COc1ccc(CN(C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1O ZINC000471179796 885745332 /nfs/dbraw/zinc/74/53/32/885745332.db2.gz ZKYQOAGWJXYIET-UHFFFAOYSA-N 0 1 418.493 4.092 20 0 HIADMN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C)C[C@H]4C(C)C)cc3)sc2c1 ZINC000471212469 885784592 /nfs/dbraw/zinc/78/45/92/885784592.db2.gz OLENGYGWKMDRIB-NRFANRHFSA-N 0 1 422.598 4.482 20 0 HIADMN CCc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000471353191 885970612 /nfs/dbraw/zinc/97/06/12/885970612.db2.gz HPBBDRLMUYEZLW-HXUWFJFHSA-N 0 1 412.921 4.248 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1cc(COC(C)(C)C)on1)c1ccccc1Cl ZINC000471353901 885972049 /nfs/dbraw/zinc/97/20/49/885972049.db2.gz DJFSDSCXXMSVKW-IBGZPJMESA-N 0 1 407.942 4.456 20 0 HIADMN Cc1c(NC(=O)N(C)C)cccc1NC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000471377538 886021253 /nfs/dbraw/zinc/02/12/53/886021253.db2.gz XIQOIYIACKJIPC-ROUUACIJSA-N 0 1 423.561 4.215 20 0 HIADMN Cc1ccc(F)cc1-c1nnc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)s1 ZINC000471378023 886024047 /nfs/dbraw/zinc/02/40/47/886024047.db2.gz NVTJAXFNPSBPQK-QGZVFWFLSA-N 0 1 417.485 4.216 20 0 HIADMN CCc1ccc(-c2noc([C@H](C)NC(=O)NC[C@H](c3cccs3)N(C)C)n2)cc1 ZINC000471384412 886031739 /nfs/dbraw/zinc/03/17/39/886031739.db2.gz YUTWMBCAHUAPJZ-WMLDXEAASA-N 0 1 413.547 4.024 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)NCCc1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000504090727 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416.543 4.065 20 0 HIADMN CSc1nc(C(C)(C)C)nc(C)c1C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000471728173 886443840 /nfs/dbraw/zinc/44/38/40/886443840.db2.gz QRGNVYYGILJQDE-INIZCTEOSA-N 0 1 416.591 4.273 20 0 HIADMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(F)ccc1-c1ccoc1 ZINC000471732350 886451490 /nfs/dbraw/zinc/45/14/90/886451490.db2.gz VNKJQIOZHRIBGZ-UHFFFAOYSA-N 0 1 407.489 4.028 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)Cc4ncccc4F)cc3)CC2)c1 ZINC000471748113 886474422 /nfs/dbraw/zinc/47/44/22/886474422.db2.gz HJTQTYYYXSTTJR-UHFFFAOYSA-N 0 1 418.516 4.033 20 0 HIADMN CSc1cc(C(=O)N2CCC(CCN3CCOCC3)CC2)c(Cl)cc1Cl ZINC000471767814 886501426 /nfs/dbraw/zinc/50/14/26/886501426.db2.gz IPCALLYAHBRTDO-UHFFFAOYSA-N 0 1 417.402 4.290 20 0 HIADMN CCC(O)(CC)CCN[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000471789985 886525134 /nfs/dbraw/zinc/52/51/34/886525134.db2.gz TXFDMNHEHJRKBT-HXUWFJFHSA-N 0 1 409.979 4.364 20 0 HIADMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000471872654 886650535 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886818413 /nfs/dbraw/zinc/81/84/13/886818413.db2.gz QOYBAZUDYZSMMH-VQIMIIECSA-N 0 1 412.559 4.212 20 0 HIADMN Cc1ccc([C@H](CNC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)N2CCCC2)o1 ZINC000471992958 886818868 /nfs/dbraw/zinc/81/88/68/886818868.db2.gz QOYBAZUDYZSMMH-APWZRJJASA-N 0 1 412.559 4.212 20 0 HIADMN Cc1ccc([C@H](NC(=O)NCCN(C)Cc2ccc(F)cc2)c2ccccn2)cc1 ZINC000472011481 886834430 /nfs/dbraw/zinc/83/44/30/886834430.db2.gz GZONCWMFKQCRHY-QHCPKHFHSA-N 0 1 406.505 4.050 20 0 HIADMN CC1(C)CN([C@H](CNCc2ncc(Cl)s2)c2ccc(Cl)cc2)CCO1 ZINC000472080336 886881721 /nfs/dbraw/zinc/88/17/21/886881721.db2.gz NSOOVCGTQJILMW-OAHLLOKOSA-N 0 1 400.375 4.392 20 0 HIADMN COc1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(OCC2CC2)c1 ZINC000472120378 886907799 /nfs/dbraw/zinc/90/77/99/886907799.db2.gz PTACLBVYQIUEIT-UHFFFAOYSA-N 0 1 412.505 4.018 20 0 HIADMN CCN(CC)[C@H](c1nc(-c2ccc(CN3CCOCC3)cc2)no1)c1ccccc1 ZINC000504222545 913095236 /nfs/dbraw/zinc/09/52/36/913095236.db2.gz GEINVSPVCUTYPZ-QFIPXVFZSA-N 0 1 406.530 4.000 20 0 HIADMN Cc1ccc(NC(=O)Nc2cccc3c2CCN(C[C@H](O)CCOC(C)C)C3)cc1 ZINC000472154944 886953226 /nfs/dbraw/zinc/95/32/26/886953226.db2.gz LAXXCPBZCDDTLN-OAQYLSRUSA-N 0 1 411.546 4.173 20 0 HIADMN CCCN1CCCN(CCCC(=O)Nc2c(CC)ccc(Cl)c2CC)CC1=O ZINC000472187792 886988227 /nfs/dbraw/zinc/98/82/27/886988227.db2.gz IONFPFWJMQPSJR-UHFFFAOYSA-N 0 1 407.986 4.128 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccsc1 ZINC000472218849 887020461 /nfs/dbraw/zinc/02/04/61/887020461.db2.gz GHPAKPVRCQLMSN-PMACEKPBSA-N 0 1 414.962 4.488 20 0 HIADMN C[C@H]1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)[C@H]1c1cccc(F)c1 ZINC000472346515 887180515 /nfs/dbraw/zinc/18/05/15/887180515.db2.gz DOQZQPVNQNEEPO-UQBPGWFLSA-N 0 1 410.533 4.416 20 0 HIADMN Cn1cccc1[C@H]1CCCCN1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000472356872 887191831 /nfs/dbraw/zinc/19/18/31/887191831.db2.gz WDPUGXBYESLPCY-QGZVFWFLSA-N 0 1 405.424 4.086 20 0 HIADMN CCN(CC)[C@H](C(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1)c1ccccc1 ZINC000472370302 887207877 /nfs/dbraw/zinc/20/78/77/887207877.db2.gz VIQJYIDPGAVAGB-JXFKEZNVSA-N 0 1 410.493 4.444 20 0 HIADMN CCc1c(C(=O)Nc2nc3cccc(C(=O)OC)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000472370196 887208288 /nfs/dbraw/zinc/20/82/88/887208288.db2.gz RPBOKISJCGSDJC-UHFFFAOYSA-N 0 1 423.860 4.003 20 0 HIADMN CC(C)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472377738 887219819 /nfs/dbraw/zinc/21/98/19/887219819.db2.gz YEIXLXNHKKAEMG-PKOBYXMFSA-N 0 1 411.571 4.077 20 0 HIADMN O=C(c1ccnn1-c1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000472484166 887349294 /nfs/dbraw/zinc/34/92/94/887349294.db2.gz JCCPDDLSNAMKIC-GOSISDBHSA-N 0 1 404.518 4.058 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C1(c2ccccc2C)CCC1 ZINC000472546351 887425333 /nfs/dbraw/zinc/42/53/33/887425333.db2.gz ILLSDYGMICKXNN-UHFFFAOYSA-N 0 1 407.558 4.206 20 0 HIADMN CCCN(Cc1noc(-c2ccccc2C)n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000472752215 887597312 /nfs/dbraw/zinc/59/73/12/887597312.db2.gz NPDZPWIJERASBH-UHFFFAOYSA-N 0 1 420.561 4.333 20 0 HIADMN Cc1nc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc2n1Cc1ccsc1 ZINC000472762144 887608593 /nfs/dbraw/zinc/60/85/93/887608593.db2.gz KBOKBTVRGZGTKU-UHFFFAOYSA-N 0 1 408.571 4.155 20 0 HIADMN COc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1Br ZINC000472823207 887668801 /nfs/dbraw/zinc/66/88/01/887668801.db2.gz CYEIAQOYZJRGKH-HNNXBMFYSA-N 0 1 408.296 4.009 20 0 HIADMN Cc1c(COc2ccccc2)cccc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000472885024 887736074 /nfs/dbraw/zinc/73/60/74/887736074.db2.gz ZMHCUMHQOPCQPV-JOCHJYFZSA-N 0 1 411.546 4.052 20 0 HIADMN Cc1nc2cc(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)ccc2n1Cc1ccsc1 ZINC000473052772 887875323 /nfs/dbraw/zinc/87/53/23/887875323.db2.gz ZJUKFJIPFXNRIM-CYBMUJFWSA-N 0 1 408.531 4.187 20 0 HIADMN CCOC(=O)c1nn(C)cc1CNC1(c2cccc(Br)c2)CCCCC1 ZINC000473116442 887912606 /nfs/dbraw/zinc/91/26/06/887912606.db2.gz GOTSRTDMAMXWIH-UHFFFAOYSA-N 0 1 420.351 4.309 20 0 HIADMN Cn1c2ccccc2nc1C(C)(C)NC[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000473173071 887950685 /nfs/dbraw/zinc/95/06/85/887950685.db2.gz SZCQEOBKBVNZHP-CQSZACIVSA-N 0 1 408.329 4.145 20 0 HIADMN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1SC(C)C)c1ccsc1 ZINC000473177340 887955740 /nfs/dbraw/zinc/95/57/40/887955740.db2.gz XDPPUEKMJFVRSL-GOSISDBHSA-N 0 1 419.616 4.386 20 0 HIADMN c1ccc(-c2noc([C@H](c3ccccc3)N3CCSC4(CCOCC4)C3)n2)cc1 ZINC000473202437 887979239 /nfs/dbraw/zinc/97/92/39/887979239.db2.gz AZWVDMKACVIOLF-FQEVSTJZSA-N 0 1 407.539 4.424 20 0 HIADMN O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000504370365 913199816 /nfs/dbraw/zinc/19/98/16/913199816.db2.gz LAXOVPBAOQLHDT-UHFFFAOYSA-N 0 1 419.872 4.280 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@H](c1cccs1)n1cccc1 ZINC000473355552 888080914 /nfs/dbraw/zinc/08/09/14/888080914.db2.gz MVDRTTNLDTWVBL-OAQYLSRUSA-N 0 1 408.571 4.228 20 0 HIADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000473368320 888089081 /nfs/dbraw/zinc/08/90/81/888089081.db2.gz LVTUIIUXSKQLLK-JFIYKMOQSA-N 0 1 400.404 4.027 20 0 HIADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473377438 888093949 /nfs/dbraw/zinc/09/39/49/888093949.db2.gz SAJUSMRXQIACMM-RCCFBDPRSA-N 0 1 400.404 4.027 20 0 HIADMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000473379340 888095816 /nfs/dbraw/zinc/09/58/16/888095816.db2.gz AGISTZPNRHVKPN-GOSISDBHSA-N 0 1 421.501 4.013 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccc(OC)cc2OC(C)C)N2CCCC2)c1 ZINC000473384939 888098902 /nfs/dbraw/zinc/09/89/02/888098902.db2.gz DQAWPJSETPLVHF-JOCHJYFZSA-N 0 1 412.530 4.058 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)C1(c2ccccc2Br)CC1 ZINC000473388210 888102021 /nfs/dbraw/zinc/10/20/21/888102021.db2.gz JYJFFZMIGRTDAC-QGZVFWFLSA-N 0 1 403.320 4.027 20 0 HIADMN CCN(Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1)C(C)=O ZINC000473403970 888120439 /nfs/dbraw/zinc/12/04/39/888120439.db2.gz VPPFCBVHEFVOEA-UHFFFAOYSA-N 0 1 419.305 4.302 20 0 HIADMN CC(C)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473420786 888139180 /nfs/dbraw/zinc/13/91/80/888139180.db2.gz XDHNVDIXJPCFBM-UHFFFAOYSA-N 0 1 420.293 4.463 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3sc(C)nc3CC(C)C)[nH]n2)cc1OC ZINC000473420292 888139353 /nfs/dbraw/zinc/13/93/53/888139353.db2.gz WAIOCSHETSJTFY-UHFFFAOYSA-N 0 1 400.504 4.310 20 0 HIADMN CCCCNC(=O)[C@H](C)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473458483 888181920 /nfs/dbraw/zinc/18/19/20/888181920.db2.gz FEPORQJWGZLHCD-KXBFYZLASA-N 0 1 404.352 4.022 20 0 HIADMN CCC[C@H](C)NC(=O)[C@@H](C)N[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000473464172 888188615 /nfs/dbraw/zinc/18/86/15/888188615.db2.gz URLXFTQWVKABDF-RZQQEMMASA-N 0 1 418.379 4.411 20 0 HIADMN CC(C)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000473484196 888205253 /nfs/dbraw/zinc/20/52/53/888205253.db2.gz PWOUUMKPOFZYGI-UHFFFAOYSA-N 0 1 421.463 4.039 20 0 HIADMN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473484593 888206411 /nfs/dbraw/zinc/20/64/11/888206411.db2.gz SCFPDQXQIMNHLI-QHCPKHFHSA-N 0 1 410.319 4.120 20 0 HIADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000473497739 888221541 /nfs/dbraw/zinc/22/15/41/888221541.db2.gz RPOBFYYBIRQQIZ-UHFFFAOYSA-N 0 1 415.453 4.498 20 0 HIADMN Cc1nc(-c2ccc(NC(=O)NCc3n[nH]c(COc4ccccc4)n3)cc2)cs1 ZINC000473503364 888229915 /nfs/dbraw/zinc/22/99/15/888229915.db2.gz MEELRADIDPLLCQ-UHFFFAOYSA-N 0 1 420.498 4.137 20 0 HIADMN CCOc1cccc(CSc2nc(-c3ccc(OC)c(Br)c3)n[nH]2)n1 ZINC000473507938 888236294 /nfs/dbraw/zinc/23/62/94/888236294.db2.gz MWDDRASLEUGQDK-UHFFFAOYSA-N 0 1 421.320 4.329 20 0 HIADMN COc1ccc(-c2n[nH]c(SCC(=O)C3CCCCC3)n2)cc1Br ZINC000473510518 888239456 /nfs/dbraw/zinc/23/94/56/888239456.db2.gz FYBQNBOVWFQVKU-UHFFFAOYSA-N 0 1 410.337 4.484 20 0 HIADMN C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)NCCc1ccccc1 ZINC000504408178 913226927 /nfs/dbraw/zinc/22/69/27/913226927.db2.gz MPXIZBXACMBHBH-JPYJTQIMSA-N 0 1 407.945 4.356 20 0 HIADMN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)sc1C ZINC000473542379 888280684 /nfs/dbraw/zinc/28/06/84/888280684.db2.gz FMYVOEHKUGIHME-SFHVURJKSA-N 0 1 424.526 4.222 20 0 HIADMN CC(C)n1nccc1NC(=O)[C@@H](C)N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000504416397 913232125 /nfs/dbraw/zinc/23/21/25/913232125.db2.gz PCNGOTXJKZKWPN-UZLBHIALSA-N 0 1 411.937 4.413 20 0 HIADMN COc1cccc(CNC(=O)[C@H](C)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c1 ZINC000504416584 913232719 /nfs/dbraw/zinc/23/27/19/913232719.db2.gz RDBRUBWBJQAKIQ-SBUREZEXSA-N 0 1 423.944 4.322 20 0 HIADMN CCCOc1ccc(NC(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1Cl ZINC000473668655 888427177 /nfs/dbraw/zinc/42/71/77/888427177.db2.gz WQYHYYCULBOUDT-UHFFFAOYSA-N 0 1 415.881 4.148 20 0 HIADMN Cc1nc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)oc1-c1ccc(Cl)cc1 ZINC000473682082 888449256 /nfs/dbraw/zinc/44/92/56/888449256.db2.gz ZIWZNWNZVYACNS-KRWDZBQOSA-N 0 1 418.950 4.467 20 0 HIADMN Cc1ccc([C@H](CNC(=O)Cc2ccc(C)c(Br)c2)N2CCCC2)o1 ZINC000473687662 888457992 /nfs/dbraw/zinc/45/79/92/888457992.db2.gz SYMKWPIMNGWDAO-SFHVURJKSA-N 0 1 405.336 4.155 20 0 HIADMN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000473687507 888458601 /nfs/dbraw/zinc/45/86/01/888458601.db2.gz SCYCJXKDOCVNNJ-UHFFFAOYSA-N 0 1 413.485 4.017 20 0 HIADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000473744415 888526796 /nfs/dbraw/zinc/52/67/96/888526796.db2.gz PSUMHIRXVCGHCB-GOEBONIOSA-N 0 1 408.333 4.062 20 0 HIADMN CCCOc1ccc(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(C)c1 ZINC000473753804 888542643 /nfs/dbraw/zinc/54/26/43/888542643.db2.gz YWDLZQPFSZESRM-LJQANCHMSA-N 0 1 410.562 4.204 20 0 HIADMN Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)o1 ZINC000473775179 888576962 /nfs/dbraw/zinc/57/69/62/888576962.db2.gz JRAISFHICWISKC-UHFFFAOYSA-N 0 1 414.425 4.154 20 0 HIADMN O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccc(-c2nnc[nH]2)cc1 ZINC000473781972 888587023 /nfs/dbraw/zinc/58/70/23/888587023.db2.gz CZJZJZMIMXNQHJ-FQEVSTJZSA-N 0 1 402.429 4.161 20 0 HIADMN Cc1cc(CN(C)C(=O)c2ccc(-c3nnc[nH]3)cc2)cc(C)c1OCC(F)(F)F ZINC000473861045 888714462 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0 HIADMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)nn1-c1ccc(Cl)cc1 ZINC000481166071 896498489 /nfs/dbraw/zinc/49/84/89/896498489.db2.gz LTUVCNWSALAZLE-KRWDZBQOSA-N 0 1 423.948 4.185 20 0 HIADMN CCOC(=O)c1sc([C@H](C)NCc2nc3ccc(Br)cc3[nH]2)nc1C ZINC000481168623 896502006 /nfs/dbraw/zinc/50/20/06/896502006.db2.gz AVPPJPCQSYBMRA-JTQLQIEISA-N 0 1 423.336 4.118 20 0 HIADMN CN(Cc1ccccc1)C(=O)CN[C@@H]1CCSc2ccc(Br)cc21 ZINC000481176967 896512092 /nfs/dbraw/zinc/51/20/92/896512092.db2.gz PGWCXUFLDNEHHX-QGZVFWFLSA-N 0 1 405.361 4.234 20 0 HIADMN CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000481189792 896539150 /nfs/dbraw/zinc/53/91/50/896539150.db2.gz JODSGDCMOPEYAE-SFHVURJKSA-N 0 1 400.494 4.353 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)ccc1OCCO ZINC000481191919 896544177 /nfs/dbraw/zinc/54/41/77/896544177.db2.gz RPHVRASJCKQCAZ-HOTGVXAUSA-N 0 1 413.493 4.111 20 0 HIADMN Clc1ccc2c(c1)[C@H](NCc1ccccc1OCCN1CCOCC1)CCCO2 ZINC000481192429 896544241 /nfs/dbraw/zinc/54/42/41/896544241.db2.gz POMSFKQTJHGDSD-OAQYLSRUSA-N 0 1 416.949 4.055 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(=O)N3CCCC3)[nH]n2)cc1 ZINC000481277372 896625135 /nfs/dbraw/zinc/62/51/35/896625135.db2.gz QGZLWUYSRPWZCS-UHFFFAOYSA-N 0 1 424.888 4.227 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000481290619 896637055 /nfs/dbraw/zinc/63/70/55/896637055.db2.gz AEQWKCVYXWDSBT-DJJJIMSYSA-N 0 1 417.296 4.336 20 0 HIADMN Cc1nc(C)c([C@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)s1 ZINC000481302032 896647266 /nfs/dbraw/zinc/64/72/66/896647266.db2.gz BVPOSPKEKVHVER-CABCVRRESA-N 0 1 407.605 4.031 20 0 HIADMN CC[C@H](NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccccc1OC ZINC000481303972 896651107 /nfs/dbraw/zinc/65/11/07/896651107.db2.gz HKFPRWMDXJEZIR-GCJKJVERSA-N 0 1 416.587 4.357 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(NC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000481309778 896656439 /nfs/dbraw/zinc/65/64/39/896656439.db2.gz SPWAMHOSCYQIJC-UHFFFAOYSA-N 0 1 410.437 4.252 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)NCCC(C)(C)C)ccc1C ZINC000505424564 914089027 /nfs/dbraw/zinc/08/90/27/914089027.db2.gz BFXOUCSSIJSOTG-UHFFFAOYSA-N 0 1 419.547 4.362 20 0 HIADMN COc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)c(F)c1 ZINC000481323854 896678698 /nfs/dbraw/zinc/67/86/98/896678698.db2.gz XAJYMJXQWWLVCR-IAGOWNOFSA-N 0 1 420.550 4.106 20 0 HIADMN C[C@H](NCc1cccc(CN2CCOCC2)c1)c1ccc(F)cc1Br ZINC000481327276 896683546 /nfs/dbraw/zinc/68/35/46/896683546.db2.gz GCVSFFINHWWRON-HNNXBMFYSA-N 0 1 407.327 4.271 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000481326511 896683635 /nfs/dbraw/zinc/68/36/35/896683635.db2.gz ZPYCQMHANRLSFO-UHFFFAOYSA-N 0 1 403.339 4.467 20 0 HIADMN CC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000481327341 896683693 /nfs/dbraw/zinc/68/36/93/896683693.db2.gz GSEYQNHRUZLAEB-MBSDFSHPSA-N 0 1 423.557 4.448 20 0 HIADMN COc1cccc(OC)c1Oc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)cn1 ZINC000481328789 896685753 /nfs/dbraw/zinc/68/57/53/896685753.db2.gz VILTZAHPDBNLGV-OAHLLOKOSA-N 0 1 408.454 4.471 20 0 HIADMN CN(CCCN(C)C(=O)Nc1ccc(OC(F)F)c2cccnc12)Cc1ccco1 ZINC000481334218 896695897 /nfs/dbraw/zinc/69/58/97/896695897.db2.gz ZLWGMDNLWXGYLN-UHFFFAOYSA-N 0 1 418.444 4.415 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000481342867 896709788 /nfs/dbraw/zinc/70/97/88/896709788.db2.gz RSHDUZDWJOZDTB-UHFFFAOYSA-N 0 1 402.454 4.052 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)CCc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000481346543 896716193 /nfs/dbraw/zinc/71/61/93/896716193.db2.gz ZAWBEGZNURSNLE-NSHDSACASA-N 0 1 421.526 4.278 20 0 HIADMN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000481352591 896726928 /nfs/dbraw/zinc/72/69/28/896726928.db2.gz ZFQZBBKNQFYEES-KRWDZBQOSA-N 0 1 421.467 4.482 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)cc1 ZINC000481377841 896774493 /nfs/dbraw/zinc/77/44/93/896774493.db2.gz VRBHOXQSYFPOTQ-LJQANCHMSA-N 0 1 413.484 4.034 20 0 HIADMN CCS[C@@H]1CCCCN(C(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000481388216 896790537 /nfs/dbraw/zinc/79/05/37/896790537.db2.gz DOWOXTNYOZGKRA-CNNODRBYSA-N 0 1 419.635 4.113 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481403205 896809366 /nfs/dbraw/zinc/80/93/66/896809366.db2.gz LBILKOJQTKZIFK-HNNXBMFYSA-N 0 1 420.962 4.346 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3NCC(F)(F)F)n2)cc1 ZINC000481488350 896869351 /nfs/dbraw/zinc/86/93/51/896869351.db2.gz FBKYCWXJSCYTAS-UHFFFAOYSA-N 0 1 421.448 4.485 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccc([C@@H]3CCCOC3)cc2)N2CCCC2)c1 ZINC000505444011 914108488 /nfs/dbraw/zinc/10/84/88/914108488.db2.gz BYBHODSSPOFGAE-ISKFKSNPSA-N 0 1 408.542 4.156 20 0 HIADMN O=C(CN1CCC[C@@H](c2ccc(F)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000481532017 896892958 /nfs/dbraw/zinc/89/29/58/896892958.db2.gz VXAVTKZKOFRGOM-LEWJYISDSA-N 0 1 409.549 4.038 20 0 HIADMN O=C(NC[C@@H]1CCCO1)c1cccc(CN[C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000481531442 896893257 /nfs/dbraw/zinc/89/32/57/896893257.db2.gz GOJAUVQFNJHESM-RXVVDRJESA-N 0 1 414.933 4.252 20 0 HIADMN CCOCCCn1c2ccccc2nc1NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000481532548 896894549 /nfs/dbraw/zinc/89/45/49/896894549.db2.gz BYWNOAHYUGLRNA-UHFFFAOYSA-N 0 1 419.485 4.114 20 0 HIADMN C[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc(OC(F)F)c1 ZINC000481545650 896906949 /nfs/dbraw/zinc/90/69/49/896906949.db2.gz OJCWYPOKKLQLCI-QRWLVFNGSA-N 0 1 404.457 4.048 20 0 HIADMN C[C@H]1C[C@@H](NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c2ccsc2S1 ZINC000481546495 896910060 /nfs/dbraw/zinc/91/00/60/896910060.db2.gz QSKCGEJSFAXJIH-POZUXBRTSA-N 0 1 402.585 4.372 20 0 HIADMN O=C(CN1CCC[C@@H](c2ccc(F)cc2)CC1)Nc1cccc(N2CCCC2=O)c1 ZINC000481555287 896926579 /nfs/dbraw/zinc/92/65/79/896926579.db2.gz LIMUFPRLUBOFEU-GOSISDBHSA-N 0 1 409.505 4.161 20 0 HIADMN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000481566456 896944434 /nfs/dbraw/zinc/94/44/34/896944434.db2.gz SEBYNSHFOOHAJV-OAHLLOKOSA-N 0 1 409.621 4.455 20 0 HIADMN C[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccc(OC(F)F)cc1 ZINC000481568211 896945837 /nfs/dbraw/zinc/94/58/37/896945837.db2.gz SHYIRPRNTNKYLV-MGPUTAFESA-N 0 1 404.457 4.048 20 0 HIADMN CN(C)C(=O)C[C@@H](N[C@@H]1CCc2c1cc(Br)cc2F)c1ccccc1 ZINC000481569352 896948627 /nfs/dbraw/zinc/94/86/27/896948627.db2.gz VVTPBVFDEUPLFJ-RTBURBONSA-N 0 1 405.311 4.385 20 0 HIADMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(-c2cncnc2)cc1F ZINC000481572295 896951976 /nfs/dbraw/zinc/95/19/76/896951976.db2.gz WURGKFBRQVTHCV-FQEVSTJZSA-N 0 1 403.417 4.263 20 0 HIADMN OC1(Cc2ccc(F)cc2)CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000481618856 897002728 /nfs/dbraw/zinc/00/27/28/897002728.db2.gz DNFDNKIBDWVDHD-UHFFFAOYSA-N 0 1 418.310 4.034 20 0 HIADMN COc1cccc(F)c1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000481630953 897016631 /nfs/dbraw/zinc/01/66/31/897016631.db2.gz RAMIHMBNJKETLK-OAHLLOKOSA-N 0 1 401.486 4.412 20 0 HIADMN CCOC(=O)C[C@@](C)(NCc1nc(-c2cc(Br)cs2)no1)C(C)C ZINC000481689245 897073595 /nfs/dbraw/zinc/07/35/95/897073595.db2.gz CDAQVSFPXRZXFS-MRXNPFEDSA-N 0 1 416.341 4.018 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCCOc3c(F)cccc32)CC1 ZINC000481696604 897084271 /nfs/dbraw/zinc/08/42/71/897084271.db2.gz DOPMAFCDSQVXOT-IBGZPJMESA-N 0 1 412.509 4.003 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(-c2cncnc2)cc1F ZINC000481703241 897091721 /nfs/dbraw/zinc/09/17/21/897091721.db2.gz KZQIFYZSESXJFV-UHFFFAOYSA-N 0 1 410.412 4.473 20 0 HIADMN COc1ccc(-c2n[nH]c(SC[C@@H](O)Cc3ccc4ccccc4c3)n2)c(OC)c1 ZINC000481723824 897117793 /nfs/dbraw/zinc/11/77/93/897117793.db2.gz BIWDCIDBOBIODC-SFHVURJKSA-N 0 1 421.522 4.338 20 0 HIADMN O=S(=O)(CCN[C@H](c1cc(F)cc(Br)c1)C1CC1)c1ccccc1 ZINC000481742324 897137158 /nfs/dbraw/zinc/13/71/58/897137158.db2.gz WLULNPDZPGLZFN-SFHVURJKSA-N 0 1 412.324 4.103 20 0 HIADMN COc1ccc([C@H](CNC(=O)NCCc2ccc3ccccc3c2)N(C)C)cc1OC ZINC000505459656 914130474 /nfs/dbraw/zinc/13/04/74/914130474.db2.gz HHNSRIMVYRGBOU-QFIPXVFZSA-N 0 1 421.541 4.002 20 0 HIADMN C[C@@H](N[C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NCc1cccs1 ZINC000481747603 897140370 /nfs/dbraw/zinc/14/03/70/897140370.db2.gz HZFYBPQJHQRKMJ-PIGZYNQJSA-N 0 1 411.340 4.395 20 0 HIADMN O=C(CN[C@@H](c1cc(F)cc(Br)c1)C1CC1)N1CCc2ccccc2C1 ZINC000481764381 897152203 /nfs/dbraw/zinc/15/22/03/897152203.db2.gz GNFKYWNLNSQOLN-OAQYLSRUSA-N 0 1 417.322 4.214 20 0 HIADMN CNC(=O)C[C@@H](NCc1ccc(OC)c(OCc2ccccc2)c1)c1ccccc1 ZINC000481819430 897191717 /nfs/dbraw/zinc/19/17/17/897191717.db2.gz AKTKCRQSLRQVNY-JOCHJYFZSA-N 0 1 404.510 4.241 20 0 HIADMN CC[C@H](Cc1ccccc1Br)N(C)Cc1nc2ccccc2c(=O)n1C ZINC000481826287 897197030 /nfs/dbraw/zinc/19/70/30/897197030.db2.gz SXIGRENFHDUHAO-MRXNPFEDSA-N 0 1 414.347 4.149 20 0 HIADMN O=C(CN1CCC(c2ccc(Cl)cc2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000481843859 897210880 /nfs/dbraw/zinc/21/08/80/897210880.db2.gz UGCHIYAKDPZIAT-IBGZPJMESA-N 0 1 411.977 4.162 20 0 HIADMN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(CN2CCSCC2)cc1 ZINC000481867671 897237753 /nfs/dbraw/zinc/23/77/53/897237753.db2.gz MPGUFZSGCGIFEU-IBGZPJMESA-N 0 1 408.489 4.139 20 0 HIADMN CCc1cc(C)cc(CC)c1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000481874737 897246894 /nfs/dbraw/zinc/24/68/94/897246894.db2.gz ZRAIHBLDGCWUQL-UHFFFAOYSA-N 0 1 416.543 4.278 20 0 HIADMN CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000481877050 897248904 /nfs/dbraw/zinc/24/89/04/897248904.db2.gz DHKZZAVQDYLDMG-RTBURBONSA-N 0 1 405.608 4.002 20 0 HIADMN Cc1cc(C)n(Cc2cccc(-c3noc(-c4[nH]cnc4C(=O)c4ccccc4)n3)c2)n1 ZINC000481893312 897270597 /nfs/dbraw/zinc/27/05/97/897270597.db2.gz LOLGQMQQVPIIMW-UHFFFAOYSA-N 0 1 424.464 4.219 20 0 HIADMN Cc1cc(C)n(Cc2cccc(-c3noc(-c4nc[nH]c4C(=O)c4ccccc4)n3)c2)n1 ZINC000481893312 897270611 /nfs/dbraw/zinc/27/06/11/897270611.db2.gz LOLGQMQQVPIIMW-UHFFFAOYSA-N 0 1 424.464 4.219 20 0 HIADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000481945216 897330593 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CCc1c2cc(C)ccc2oc1[C@@H](C)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000538396451 938610467 /nfs/dbraw/zinc/61/04/67/938610467.db2.gz UMYNOOROESQBQU-MRXNPFEDSA-N 0 1 400.544 4.405 20 0 HIADMN Cc1ccc(Br)cc1NC(=O)CCNCc1cc(F)c(F)cc1F ZINC000538400823 938611784 /nfs/dbraw/zinc/61/17/84/938611784.db2.gz GJCZEOSUNGDFRB-UHFFFAOYSA-N 0 1 401.226 4.293 20 0 HIADMN C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc2cc(Br)ccc2o1 ZINC000538409071 938613356 /nfs/dbraw/zinc/61/33/56/938613356.db2.gz COBCQTRHXKNCML-ZWNOBZJWSA-N 0 1 419.241 4.399 20 0 HIADMN CCO[C@@H]1C[C@@H](N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1(C)C ZINC000538409782 938613878 /nfs/dbraw/zinc/61/38/78/938613878.db2.gz WEUDUQLOJGJZTR-NJDAHSKKSA-N 0 1 423.525 4.251 20 0 HIADMN CCO[C@@H]1C[C@@H](N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1(C)C ZINC000538409783 938613984 /nfs/dbraw/zinc/61/39/84/938613984.db2.gz WEUDUQLOJGJZTR-NJYVYQBISA-N 0 1 423.525 4.251 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2c2ccccc2)N(C)C)cc1OC ZINC000538501961 938637081 /nfs/dbraw/zinc/63/70/81/938637081.db2.gz PQWVQFZLYZOKJV-LEWJYISDSA-N 0 1 411.546 4.243 20 0 HIADMN Cc1cc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)nn1-c1cccc(Cl)c1 ZINC000538606800 938660294 /nfs/dbraw/zinc/66/02/94/938660294.db2.gz LBDDEFHTUMYMOV-QGZVFWFLSA-N 0 1 423.948 4.185 20 0 HIADMN O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000538617909 938662669 /nfs/dbraw/zinc/66/26/69/938662669.db2.gz IHJVMCNWPKGOEC-IEBWSBKVSA-N 0 1 419.485 4.008 20 0 HIADMN O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000538617909 938662671 /nfs/dbraw/zinc/66/26/71/938662671.db2.gz IHJVMCNWPKGOEC-IEBWSBKVSA-N 0 1 419.485 4.008 20 0 HIADMN CCCN(C(=O)c1cccs1)C1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000538619043 938663090 /nfs/dbraw/zinc/66/30/90/938663090.db2.gz MAKAIXHZMBRSAH-UHFFFAOYSA-N 0 1 402.535 4.477 20 0 HIADMN O=C(Nc1ccccc1)[C@@H](NCCCn1c(=O)[nH]c2ccccc21)c1ccccc1 ZINC000538619543 938663289 /nfs/dbraw/zinc/66/32/89/938663289.db2.gz VPKZIVZGKWZSFS-QFIPXVFZSA-N 0 1 400.482 4.102 20 0 HIADMN O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000538623280 938664659 /nfs/dbraw/zinc/66/46/59/938664659.db2.gz KBQUHUVIMOVDED-AWEZNQCLSA-N 0 1 413.384 4.162 20 0 HIADMN O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000538623280 938664663 /nfs/dbraw/zinc/66/46/63/938664663.db2.gz KBQUHUVIMOVDED-AWEZNQCLSA-N 0 1 413.384 4.162 20 0 HIADMN Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cnn1-c1ccccc1 ZINC000538642176 938670506 /nfs/dbraw/zinc/67/05/06/938670506.db2.gz LKMRIHAOLMEDAR-LJQANCHMSA-N 0 1 418.545 4.366 20 0 HIADMN Cc1nn(C)c2sc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)cc12 ZINC000538645109 938671760 /nfs/dbraw/zinc/67/17/60/938671760.db2.gz BPKRKYGHAVMEBE-OAHLLOKOSA-N 0 1 412.563 4.129 20 0 HIADMN CC(=O)Nc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)ccc1C ZINC000538646120 938672002 /nfs/dbraw/zinc/67/20/02/938672002.db2.gz LHURHKPRKLCJSE-LJQANCHMSA-N 0 1 409.534 4.139 20 0 HIADMN O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538646826 938672415 /nfs/dbraw/zinc/67/24/15/938672415.db2.gz SVCUCAPDJQWOCK-FQEVSTJZSA-N 0 1 418.545 4.117 20 0 HIADMN Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)cc2)n1 ZINC000538646355 938672511 /nfs/dbraw/zinc/67/25/11/938672511.db2.gz IHMIOZAXDHLLSG-HXUWFJFHSA-N 0 1 418.545 4.366 20 0 HIADMN C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538651486 938673201 /nfs/dbraw/zinc/67/32/01/938673201.db2.gz VGKBKQYMHDAYJQ-UYAOXDASSA-N 0 1 404.514 4.283 20 0 HIADMN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538652053 938673909 /nfs/dbraw/zinc/67/39/09/938673909.db2.gz KFISXUUNCPHZRX-KRWDZBQOSA-N 0 1 414.431 4.439 20 0 HIADMN Cc1cc(OC(F)F)c(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)s1 ZINC000538653121 938674222 /nfs/dbraw/zinc/67/42/22/938674222.db2.gz RLHSVCABPPCTFZ-CQSZACIVSA-N 0 1 418.469 4.463 20 0 HIADMN O=C([C@H]1SCCc2sccc21)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538653030 938674481 /nfs/dbraw/zinc/67/44/81/938674481.db2.gz QOLHZLTWNYHOPI-QAPCUYQASA-N 0 1 410.568 4.270 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1csc(Nc2ccccn2)n1 ZINC000538656484 938675152 /nfs/dbraw/zinc/67/51/52/938675152.db2.gz AQVOOGVADLTQKW-UHFFFAOYSA-N 0 1 413.466 4.472 20 0 HIADMN CN1CCOc2ccc(NC(=O)N3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)cc21 ZINC000538661974 938677186 /nfs/dbraw/zinc/67/71/86/938677186.db2.gz KDFIRKZRVHYXQS-KRWDZBQOSA-N 0 1 424.549 4.093 20 0 HIADMN O=C(Nc1ccc2c(c1)CCC(=O)N2)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538661949 938677360 /nfs/dbraw/zinc/67/73/60/938677360.db2.gz JFXIBCPNKZSERZ-KRWDZBQOSA-N 0 1 422.533 4.149 20 0 HIADMN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538665765 938679447 /nfs/dbraw/zinc/67/94/47/938679447.db2.gz IYYBVIMTFFAUCG-KRWDZBQOSA-N 0 1 422.533 4.149 20 0 HIADMN CCOCc1ccc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1 ZINC000538666160 938680076 /nfs/dbraw/zinc/68/00/76/938680076.db2.gz QCOIHTBRBGTKFK-IBGZPJMESA-N 0 1 405.502 4.420 20 0 HIADMN COC(=O)CCN(Cc1cc(-c2c(OC)ccc3ccccc32)no1)C[C@@H]1CCCO1 ZINC000538691668 938685079 /nfs/dbraw/zinc/68/50/79/938685079.db2.gz GVTSSRCHUNMMSH-SFHVURJKSA-N 0 1 424.497 4.048 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000538707434 938687607 /nfs/dbraw/zinc/68/76/07/938687607.db2.gz DDZCKMDXGVWHLF-MJGOQNOKSA-N 0 1 409.452 4.279 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)N3CCC[C@H]3c3cccc(C)n3)CCN2C2CC2)c1 ZINC000538710303 938688107 /nfs/dbraw/zinc/68/81/07/938688107.db2.gz RETXHKQKVMOICC-TZRRMPRUSA-N 0 1 420.557 4.223 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000538752007 938702128 /nfs/dbraw/zinc/70/21/28/938702128.db2.gz BGXZMFSADSKDJJ-GOSISDBHSA-N 0 1 401.860 4.278 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC3CCCCC3)cc2C)cn1 ZINC000538755171 938703326 /nfs/dbraw/zinc/70/33/26/938703326.db2.gz CBUSKPGKJSECKB-UHFFFAOYSA-N 0 1 420.556 4.402 20 0 HIADMN CN(C)[C@H](CNC(=O)CCn1c2ccccc2nc1C1CC1)c1ccc(Cl)cc1 ZINC000538774446 938706903 /nfs/dbraw/zinc/70/69/03/938706903.db2.gz QGSCHRKGEFKWDM-OAQYLSRUSA-N 0 1 410.949 4.376 20 0 HIADMN COc1ccccc1COC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000538787305 938711439 /nfs/dbraw/zinc/71/14/39/938711439.db2.gz PZHQEIJFRCACMR-QZTJIDSGSA-N 0 1 414.521 4.081 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1n[nH]c(=O)c2ccccc21 ZINC000538793347 938712955 /nfs/dbraw/zinc/71/29/55/938712955.db2.gz DEVSJTAVAGQKEE-UHFFFAOYSA-N 0 1 423.301 4.118 20 0 HIADMN CO[C@@H]1CC[C@@H]2OCCN(Cc3cn(Cc4ccccc4)nc3-c3ccccc3)[C@H]2C1 ZINC000538801612 938716189 /nfs/dbraw/zinc/71/61/89/938716189.db2.gz YVDOVNSBEILVHF-DSITVLBTSA-N 0 1 417.553 4.367 20 0 HIADMN CC(C)c1nn(-c2ccc(Br)cc2)cc1CN1CCSC[C@@H]1CCO ZINC000538812183 938719461 /nfs/dbraw/zinc/71/94/61/938719461.db2.gz CBLGLVLEGWFZIA-SFHVURJKSA-N 0 1 424.408 4.058 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cnc2ccccc2c1O ZINC000538819832 938720054 /nfs/dbraw/zinc/72/00/54/938720054.db2.gz ZCQPLGQXZNSTCT-UHFFFAOYSA-N 0 1 422.313 4.311 20 0 HIADMN CCOC(=O)C1CCC(Nc2cccc(NC(=O)CN3CCCCCC3)c2)CC1 ZINC000538834859 938722692 /nfs/dbraw/zinc/72/26/92/938722692.db2.gz ZHQJLVQIZMUICX-UHFFFAOYSA-N 0 1 401.551 4.035 20 0 HIADMN COc1ccc(Br)cc1-c1nc(CN2CCN(C)[C@@H](C)[C@@H]2C)cs1 ZINC000538954020 938748147 /nfs/dbraw/zinc/74/81/47/938748147.db2.gz NTJJHMKZZWSVBR-STQMWFEESA-N 0 1 410.381 4.106 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cnoc1-c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000538967921 938754280 /nfs/dbraw/zinc/75/42/80/938754280.db2.gz COSHJRRTIQCKNN-SFHVURJKSA-N 0 1 405.832 4.306 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000538980513 938757946 /nfs/dbraw/zinc/75/79/46/938757946.db2.gz QLUSLFYNFIFRDO-AWEZNQCLSA-N 0 1 419.819 4.081 20 0 HIADMN O=C(NC[C@H](O)C1CCCCC1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539014276 938769156 /nfs/dbraw/zinc/76/91/56/938769156.db2.gz CZYJGPLXCCYSIE-AWEZNQCLSA-N 0 1 420.382 4.280 20 0 HIADMN Cc1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)nn1-c1ccccc1 ZINC000539030216 938773753 /nfs/dbraw/zinc/77/37/53/938773753.db2.gz LDOVTKMOYPDDIB-UHFFFAOYSA-N 0 1 423.270 4.037 20 0 HIADMN C[C@H](C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)N1CCC(Cc2ccccc2)CC1 ZINC000539031596 938774046 /nfs/dbraw/zinc/77/40/46/938774046.db2.gz JCZBVBHLRKLHCR-NIJXNBFTSA-N 0 1 406.570 4.224 20 0 HIADMN C[C@H](NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cnc2ccsc2c1 ZINC000539039014 938776917 /nfs/dbraw/zinc/77/69/17/938776917.db2.gz DWIYTJBPTHAKSV-INIZCTEOSA-N 0 1 415.584 4.073 20 0 HIADMN CCC[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccccn1 ZINC000539063226 938788889 /nfs/dbraw/zinc/78/88/89/938788889.db2.gz WWVHDFREQIVQBK-GOSISDBHSA-N 0 1 404.352 4.312 20 0 HIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCc1ccc2c(c1)CCS2(=O)=O ZINC000539064628 938789775 /nfs/dbraw/zinc/78/97/75/938789775.db2.gz CWKZWCGCQHFCIR-ZDUSSCGKSA-N 0 1 416.543 4.438 20 0 HIADMN COCCOc1ccc([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000539064321 938790095 /nfs/dbraw/zinc/79/00/95/938790095.db2.gz GOOTURRDCNKMPA-RTFZILSDSA-N 0 1 418.965 4.088 20 0 HIADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC000539069252 938791845 /nfs/dbraw/zinc/79/18/45/938791845.db2.gz UEYFFIBNKVFUMD-JPYJTQIMSA-N 0 1 410.539 4.066 20 0 HIADMN COc1ccc([C@@H](N[C@@H](C)c2ccc(-n3cnnn3)cc2)c2ccc(F)cc2)cc1 ZINC000539072892 938793670 /nfs/dbraw/zinc/79/36/70/938793670.db2.gz WTKVRAYWTZFJJG-HJPURHCSSA-N 0 1 403.461 4.250 20 0 HIADMN COC(=O)COc1cccc(CN[C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000539084626 938799526 /nfs/dbraw/zinc/79/95/26/938799526.db2.gz UQRDRMSJLFXOAF-SFHVURJKSA-N 0 1 407.514 4.200 20 0 HIADMN COC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000539086263 938799778 /nfs/dbraw/zinc/79/97/78/938799778.db2.gz FCNCWYGCNCGWFV-JTSKRJEESA-N 0 1 420.550 4.039 20 0 HIADMN CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1OC(F)F ZINC000539089848 938800428 /nfs/dbraw/zinc/80/04/28/938800428.db2.gz HPNGDQKKFQIWSJ-KBXCAEBGSA-N 0 1 412.502 4.340 20 0 HIADMN C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000539089834 938800520 /nfs/dbraw/zinc/80/05/20/938800520.db2.gz JDZJTXBDSXIUDX-FQEVSTJZSA-N 0 1 402.542 4.408 20 0 HIADMN CC(=O)Nc1cc(S(=O)(=O)Nc2sc(C)nc2-c2ccccc2)ccc1C ZINC000539106521 938804041 /nfs/dbraw/zinc/80/40/41/938804041.db2.gz ZWYNBLMMBJZXLX-UHFFFAOYSA-N 0 1 401.513 4.186 20 0 HIADMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)cc1 ZINC000539117269 938805233 /nfs/dbraw/zinc/80/52/33/938805233.db2.gz NHBUTIBZMJBFDI-UHFFFAOYSA-N 0 1 401.406 4.109 20 0 HIADMN C[C@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(F)cc1N(C)C ZINC000539121970 938806040 /nfs/dbraw/zinc/80/60/40/938806040.db2.gz LLGAGHKCONKSKG-LBPRGKRZSA-N 0 1 418.314 4.290 20 0 HIADMN C[C@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1N(C)C ZINC000539121970 938806042 /nfs/dbraw/zinc/80/60/42/938806042.db2.gz LLGAGHKCONKSKG-LBPRGKRZSA-N 0 1 418.314 4.290 20 0 HIADMN C[C@@]1(c2ccccc2)CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000539159264 938813980 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4.112 20 0 HIADMN Fc1ccc([C@@H](NC[C@@H](c2cccc(F)c2)N2CCOCC2)c2cccnc2)cc1 ZINC000543408069 940055466 /nfs/dbraw/zinc/05/54/66/940055466.db2.gz TUHROMBMVRBYBN-BJKOFHAPSA-N 0 1 409.480 4.112 20 0 HIADMN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cc(F)cc(Br)c1 ZINC000543409552 940056125 /nfs/dbraw/zinc/05/61/25/940056125.db2.gz NNTUUXMGAUVALH-HXUWFJFHSA-N 0 1 407.327 4.060 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)N2CCCc3c4cccc(F)c4[nH]c3C2)cc1F ZINC000543412477 940057128 /nfs/dbraw/zinc/05/71/28/940057128.db2.gz IVZKMNJSZITGFB-UHFFFAOYSA-N 0 1 412.484 4.166 20 0 HIADMN Fc1ccc([C@@H](NCCc2cc(Br)ccc2F)c2cnccn2)cc1 ZINC000543411649 940057442 /nfs/dbraw/zinc/05/74/42/940057442.db2.gz YTMNCDLLUXSPCJ-LJQANCHMSA-N 0 1 404.258 4.439 20 0 HIADMN COc1ccc(CCCNCc2ncc(Br)cc2Br)cc1 ZINC000543446306 940066275 /nfs/dbraw/zinc/06/62/75/940066275.db2.gz HWVOCUJINSYTPX-UHFFFAOYSA-N 0 1 414.141 4.338 20 0 HIADMN Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000543448282 940066585 /nfs/dbraw/zinc/06/65/85/940066585.db2.gz HKPJRDULQQFZGO-KRWDZBQOSA-N 0 1 423.887 4.261 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000543461306 940070670 /nfs/dbraw/zinc/07/06/70/940070670.db2.gz YKDIFTUOJOOFPU-KXBFYZLASA-N 0 1 424.511 4.269 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)N1CCCCC1 ZINC000543476872 940077278 /nfs/dbraw/zinc/07/72/78/940077278.db2.gz GWPGYFRITHXRPB-PTUXOGIPSA-N 0 1 422.573 4.410 20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)NCc3sccc3C)s2)cc1 ZINC000543501792 940087044 /nfs/dbraw/zinc/08/70/44/940087044.db2.gz DCFFZKAQTMMWKA-AWEZNQCLSA-N 0 1 415.584 4.464 20 0 HIADMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000543501315 940087151 /nfs/dbraw/zinc/08/71/51/940087151.db2.gz JNQATKBOWWDHKE-MRXNPFEDSA-N 0 1 409.555 4.403 20 0 HIADMN C[C@H](NCCCS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000543515661 940092121 /nfs/dbraw/zinc/09/21/21/940092121.db2.gz GUGRIDXJEGTIOJ-HNNXBMFYSA-N 0 1 404.532 4.464 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)Nc1nnc(CC(C)C)s1 ZINC000543515888 940092372 /nfs/dbraw/zinc/09/23/72/940092372.db2.gz BJIMNJBLEMCTDK-ZDUSSCGKSA-N 0 1 415.588 4.458 20 0 HIADMN CCC[C@@H](CNC(=O)CN[C@H](C)c1cnn(C)c1C)c1ccc(Cl)cc1Cl ZINC000543519159 940094479 /nfs/dbraw/zinc/09/44/79/940094479.db2.gz PFRWUQRNZJZUTF-HIFRSBDPSA-N 0 1 411.377 4.386 20 0 HIADMN COc1ccc(-c2csc(NC(=O)[C@H](C)N3CCC4(CCOCC4)[C@H]3C)n2)cc1 ZINC000543578141 940116881 /nfs/dbraw/zinc/11/68/81/940116881.db2.gz WFJNJQNARXSNGS-JKSUJKDBSA-N 0 1 415.559 4.037 20 0 HIADMN CCOc1ccc([C@H](C)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)cc1OCC ZINC000543592214 940123547 /nfs/dbraw/zinc/12/35/47/940123547.db2.gz UQELGAPQHSQGMO-ROUUACIJSA-N 0 1 405.560 4.305 20 0 HIADMN Cn1ccc([C@H](NCC2(CN3CCOCC3)CCCCC2)c2ccc(Cl)cc2)n1 ZINC000543596526 940125016 /nfs/dbraw/zinc/12/50/16/940125016.db2.gz SBQBTADISRDFFX-JOCHJYFZSA-N 0 1 416.997 4.035 20 0 HIADMN COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)n[nH]2)cc1 ZINC000543597689 940125408 /nfs/dbraw/zinc/12/54/08/940125408.db2.gz QHIADVBOOAVTFD-XMSQKQJNSA-N 0 1 409.461 4.217 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000543597041 940125720 /nfs/dbraw/zinc/12/57/20/940125720.db2.gz VUIRTXLKHGTFIQ-HOTGVXAUSA-N 0 1 415.477 4.449 20 0 HIADMN Cc1c2cccc(Br)c2oc1C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000543606039 940128586 /nfs/dbraw/zinc/12/85/86/940128586.db2.gz ASTVRVJZPWPHLO-HNNXBMFYSA-N 0 1 411.259 4.141 20 0 HIADMN Cc1c([C@H](C)NC[C@H](C)c2nccs2)nnn1-c1cccc(Br)c1 ZINC000543625159 940139573 /nfs/dbraw/zinc/13/95/73/940139573.db2.gz HVHROTJHKPVQKM-RYUDHWBXSA-N 0 1 406.353 4.249 20 0 HIADMN CCCCn1cc(CN[C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)c(C)n1 ZINC000543627087 940140826 /nfs/dbraw/zinc/14/08/26/940140826.db2.gz QHKPVSGRWFSIOW-VXKWHMMOSA-N 0 1 403.592 4.175 20 0 HIADMN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000543704959 940165711 /nfs/dbraw/zinc/16/57/11/940165711.db2.gz CDYMWVATTQPQPE-CWTRNNRKSA-N 0 1 418.324 4.334 20 0 HIADMN C[C@H](N[C@H](CCO)c1ccccc1Br)c1cccc(N2CCOCC2)c1 ZINC000543777851 940184270 /nfs/dbraw/zinc/18/42/70/940184270.db2.gz OCWKBNQVBYHPGS-HRAATJIYSA-N 0 1 419.363 4.060 20 0 HIADMN CC(=O)N1c2ccc(S(=O)(=O)Nc3ncc(C4CCCCC4)s3)cc2C[C@H]1C ZINC000543857162 940211985 /nfs/dbraw/zinc/21/19/85/940211985.db2.gz ZYLIYEBYUAONRH-CYBMUJFWSA-N 0 1 419.572 4.289 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1Cc2ccccc2OC[C@@H]1C ZINC000543870398 940218025 /nfs/dbraw/zinc/21/80/25/940218025.db2.gz WZYRBNFKZQQDIT-KRWDZBQOSA-N 0 1 404.514 4.101 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H](C)c1cccc(F)c1 ZINC000563799114 945304645 /nfs/dbraw/zinc/30/46/45/945304645.db2.gz LSBZPUPPNIPODH-LAUBAEHRSA-N 0 1 409.505 4.169 20 0 HIADMN C[C@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000543898546 940232252 /nfs/dbraw/zinc/23/22/52/940232252.db2.gz IGIROVNTDOJBND-YRVHBCJASA-N 0 1 406.551 4.304 20 0 HIADMN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc2ccccc2c1 ZINC000543903782 940234350 /nfs/dbraw/zinc/23/43/50/940234350.db2.gz NYAUVKLIWZFLJM-BOOJTKNUSA-N 0 1 408.567 4.494 20 0 HIADMN C[C@@H](NC(=O)[C@H](C)N[C@H](C)c1ccc([S@](C)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000543904480 940234839 /nfs/dbraw/zinc/23/48/39/940234839.db2.gz UADFTJQSENWFFM-BOOJTKNUSA-N 0 1 412.599 4.219 20 0 HIADMN CCOC(=O)C1CCC(N(CC)Cc2cc(O)c(OC)cc2Br)CC1 ZINC000563825811 945306390 /nfs/dbraw/zinc/30/63/90/945306390.db2.gz YUMYQCSECGPHPK-UHFFFAOYSA-N 0 1 414.340 4.107 20 0 HIADMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(C3CC3)n2C2CC2)n1 ZINC000543957761 940270128 /nfs/dbraw/zinc/27/01/28/940270128.db2.gz IMSWTOVDSFBPNG-UHFFFAOYSA-N 0 1 402.911 4.230 20 0 HIADMN COC(=O)c1ccc(-c2nc(CN3CCC(CCCn4ccnc4)CC3)cs2)cc1 ZINC000543988266 940285599 /nfs/dbraw/zinc/28/55/99/940285599.db2.gz IPDKXPZZOVHWRS-UHFFFAOYSA-N 0 1 424.570 4.486 20 0 HIADMN CC(C)OC(=O)C1(C(=O)OC(C)C)CC(N[C@H]2CCSc3ccc(F)cc32)C1 ZINC000543997488 940290193 /nfs/dbraw/zinc/29/01/93/940290193.db2.gz BGNQHROJQPFUMS-KRWDZBQOSA-N 0 1 409.523 4.004 20 0 HIADMN CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)NCc1nc(C2CC2)cs1 ZINC000544019169 940301336 /nfs/dbraw/zinc/30/13/36/940301336.db2.gz SRKHBUCRDJVRNP-NSHDSACASA-N 0 1 421.588 4.382 20 0 HIADMN CCOC(=O)c1cc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)cn1C ZINC000544048255 940310271 /nfs/dbraw/zinc/31/02/71/940310271.db2.gz LKZNEQHFVWAZGX-UHFFFAOYSA-N 0 1 405.498 4.086 20 0 HIADMN CCCc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)cnn1-c1cccc(F)c1 ZINC000544056320 940312526 /nfs/dbraw/zinc/31/25/26/940312526.db2.gz FFWHLYBFBVPBRG-OAQYLSRUSA-N 0 1 410.493 4.124 20 0 HIADMN CCCc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cnn1-c1cccc(F)c1 ZINC000544056319 940312744 /nfs/dbraw/zinc/31/27/44/940312744.db2.gz FFWHLYBFBVPBRG-NRFANRHFSA-N 0 1 410.493 4.124 20 0 HIADMN COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)NCCc2nc3ccccc3s2)c1 ZINC000544115794 940330580 /nfs/dbraw/zinc/33/05/80/940330580.db2.gz BHQHQRNQPDMNCL-OXQOHEQNSA-N 0 1 409.555 4.047 20 0 HIADMN C[C@H](N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)c1ccccc1OC(F)F ZINC000544116467 940330614 /nfs/dbraw/zinc/33/06/14/940330614.db2.gz FPURSLOLFVUYTJ-NHYWBVRUSA-N 0 1 402.363 4.054 20 0 HIADMN CC(C)c1cnc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)s1 ZINC000544173671 940343911 /nfs/dbraw/zinc/34/39/11/940343911.db2.gz VLDDWATWDTWDLA-UHFFFAOYSA-N 0 1 412.525 4.327 20 0 HIADMN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CC[C@H](C(C)(C)C)C1 ZINC000544185914 940347008 /nfs/dbraw/zinc/34/70/08/940347008.db2.gz LPLQNTKFBFUPMV-HNNXBMFYSA-N 0 1 402.457 4.037 20 0 HIADMN COc1cc(-c2noc(CN3CC[C@@H](c4cc(C)cc(C)c4)C3)n2)cc(OC)c1OC ZINC000544186851 940347884 /nfs/dbraw/zinc/34/78/84/940347884.db2.gz LFWVXKAZFSBRQA-QGZVFWFLSA-N 0 1 423.513 4.369 20 0 HIADMN O=C(Nc1ccc(Sc2nncs2)cc1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000544195009 940349646 /nfs/dbraw/zinc/34/96/46/940349646.db2.gz HEPIDQDFEHHGQS-UHFFFAOYSA-N 0 1 423.479 4.060 20 0 HIADMN COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)CN(C)[C@H]2CCSC2)c1 ZINC000544251688 940368463 /nfs/dbraw/zinc/36/84/63/940368463.db2.gz VNHPPNKNBRIFIP-BGWNEDDSSA-N 0 1 410.583 4.190 20 0 HIADMN Cc1ccc2c(c1)[C@H](NC(=O)N1CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C1)CO2 ZINC000544289094 940380742 /nfs/dbraw/zinc/38/07/42/940380742.db2.gz MTQPFXVWZCVKIP-PKOBYXMFSA-N 0 1 409.534 4.184 20 0 HIADMN Cc1cccnc1[C@@H](NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)C(C)C ZINC000544291275 940381354 /nfs/dbraw/zinc/38/13/54/940381354.db2.gz HGTPNWMVNLBNHF-PMACEKPBSA-N 0 1 418.545 4.461 20 0 HIADMN Cc1cccnc1[C@@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)C(C)C ZINC000544291278 940381364 /nfs/dbraw/zinc/38/13/64/940381364.db2.gz HGTPNWMVNLBNHF-UXHICEINSA-N 0 1 418.545 4.461 20 0 HIADMN Cc1cccc2c1CC[C@@H]2NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000544297808 940383249 /nfs/dbraw/zinc/38/32/49/940383249.db2.gz DFNPNPRNOOFEBX-RXVVDRJESA-N 0 1 401.514 4.357 20 0 HIADMN CCOc1cc(Cc2noc(-c3cccc(-c4nnc[nH]4)c3)n2)ccc1OC(F)F ZINC000544320180 940389692 /nfs/dbraw/zinc/38/96/92/940389692.db2.gz TWFNUMMJTLGAHW-UHFFFAOYSA-N 0 1 413.384 4.113 20 0 HIADMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1 ZINC000544321810 940390035 /nfs/dbraw/zinc/39/00/35/940390035.db2.gz FEILVTNSQQQIHE-UHFFFAOYSA-N 0 1 415.501 4.353 20 0 HIADMN Clc1cc(Cl)c2nc(Cc3noc(-c4cc(-c5ccoc5)n[nH]4)n3)cn2c1 ZINC000544332803 940392613 /nfs/dbraw/zinc/39/26/13/940392613.db2.gz AYQKTXVMYGJMQE-UHFFFAOYSA-N 0 1 401.213 4.265 20 0 HIADMN COc1cc2[nH]c(CCCN[C@@H](c3ccc(F)cc3)c3cnccn3)cc2c(OC)c1 ZINC000544355092 940398576 /nfs/dbraw/zinc/39/85/76/940398576.db2.gz CLBSTPLPSWVSSJ-DEOSSOPVSA-N 0 1 420.488 4.426 20 0 HIADMN Cc1cc(Cl)ccc1OCC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544359945 940401134 /nfs/dbraw/zinc/40/11/34/940401134.db2.gz WSUSBAUKKIFKHF-KRWDZBQOSA-N 0 1 424.810 4.070 20 0 HIADMN Cc1c(Cl)cccc1OCC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544361161 940401637 /nfs/dbraw/zinc/40/16/37/940401637.db2.gz SVUUDDBEMHUOED-QGZVFWFLSA-N 0 1 424.810 4.070 20 0 HIADMN O=C(C/C=C\c1ccc(F)cc1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000544360673 940401643 /nfs/dbraw/zinc/40/16/43/940401643.db2.gz PLCBLMZWRVUATR-PBMKKYJASA-N 0 1 404.367 4.272 20 0 HIADMN C[C@H](CN[C@@H](c1cccnc1)c1ccc(F)cc1F)N1CCN(c2ccccc2)CC1 ZINC000544366170 940403186 /nfs/dbraw/zinc/40/31/86/940403186.db2.gz RUZYNAIRPYCXMT-CLOONOSVSA-N 0 1 422.523 4.250 20 0 HIADMN Cc1ccc([C@H](NC[C@H](O)CCc2ccccc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000544373311 940405009 /nfs/dbraw/zinc/40/50/09/940405009.db2.gz ZSUAJQIDHGLLEO-NOZRDPDXSA-N 0 1 423.578 4.071 20 0 HIADMN C[C@@H]1C[C@@H](CCN[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CCO1 ZINC000544375151 940405458 /nfs/dbraw/zinc/40/54/58/940405458.db2.gz NSNIRAMOYYULQZ-VVBPWWLESA-N 0 1 423.525 4.253 20 0 HIADMN C[N@H+]1CCCN(c2ccc(-c3noc(COc4ccccc4C(C)(C)C)n3)cn2)CC1 ZINC000544388334 940408824 /nfs/dbraw/zinc/40/88/24/940408824.db2.gz PFTCXMNDMHLGGE-UHFFFAOYSA-N 0 1 421.545 4.150 20 0 HIADMN CCCN(CC(=O)Nc1ccccc1C)C(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000544397627 940411487 /nfs/dbraw/zinc/41/14/87/940411487.db2.gz 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c1ccc2nc(N3CCCCC3)c(CN3CCC(Oc4cnccn4)CC3)cc2c1 ZINC000425972376 856024439 /nfs/dbraw/zinc/02/44/39/856024439.db2.gz YDJCSESQNHHADD-UHFFFAOYSA-N 0 1 403.530 4.059 20 0 HIADMN CCN(CCNC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1)CCC(F)(F)F ZINC000425985101 856030945 /nfs/dbraw/zinc/03/09/45/856030945.db2.gz NQPUUNCWPGTPQK-MRXNPFEDSA-N 0 1 408.468 4.383 20 0 HIADMN COc1ccc([C@@H](CNC(=O)CCCc2csc(C)n2)N2CCCCC2)cc1 ZINC000426035546 856062164 /nfs/dbraw/zinc/06/21/64/856062164.db2.gz MTPMJDKHGPJVPF-OAQYLSRUSA-N 0 1 401.576 4.126 20 0 HIADMN Cc1ccc2nc(CNC(=O)NCc3ccnc(Oc4ccccc4F)c3)[nH]c2c1 ZINC000426079564 856092834 /nfs/dbraw/zinc/09/28/34/856092834.db2.gz NVSRPKIJCWABAW-UHFFFAOYSA-N 0 1 405.433 4.197 20 0 HIADMN Cc1cccc2nc(CCC(=O)N(C)CCCc3cc(-c4ccccc4)n(C)n3)[nH]c21 ZINC000426102796 856108914 /nfs/dbraw/zinc/10/89/14/856108914.db2.gz SILIYLLEXASAPK-UHFFFAOYSA-N 0 1 415.541 4.296 20 0 HIADMN Cc1cccc2nc(CCC(=O)Nc3ccc(C(=O)NCC(C)C)c(Cl)c3)[nH]c21 ZINC000426154010 856142510 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OCCN(Cc1cccc(F)c1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000426382614 856268600 /nfs/dbraw/zinc/26/86/00/856268600.db2.gz SLDRGTYVFCVIEM-UHFFFAOYSA-N 0 1 404.226 4.184 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)NC2(c3ccc(Br)cc3)CCCC2)n[nH]1 ZINC000426385924 856269274 /nfs/dbraw/zinc/26/92/74/856269274.db2.gz SOQNOUZPNBNTJS-ZDUSSCGKSA-N 0 1 405.340 4.180 20 0 HIADMN O=C(Cc1ccc(F)cc1Cl)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000426407902 856277793 /nfs/dbraw/zinc/27/77/93/856277793.db2.gz XZCRJVOZBIPNEF-UHFFFAOYSA-N 0 1 418.877 4.461 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)n[nH]2)c(C)c1 ZINC000426439986 856291384 /nfs/dbraw/zinc/29/13/84/856291384.db2.gz MASQROGQKXZAOP-UHFFFAOYSA-N 0 1 404.514 4.330 20 0 HIADMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000426440796 856291564 /nfs/dbraw/zinc/29/15/64/856291564.db2.gz TXKSXDUODHTMAJ-FQEVSTJZSA-N 0 1 410.587 4.282 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3CC[C@@H](c4ccccc4)[C@@H](C)C3)cs2)c1C ZINC000426446825 856294983 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CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N(C)Cc3cccc4[nH]ccc43)c2C1 ZINC000426500628 856322210 /nfs/dbraw/zinc/32/22/10/856322210.db2.gz VGFQHDWDWWFROS-KRWDZBQOSA-N 0 1 418.541 4.125 20 0 HIADMN COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000426506014 856323240 /nfs/dbraw/zinc/32/32/40/856323240.db2.gz AUCRPCQQGWUFQP-SFHVURJKSA-N 0 1 406.530 4.112 20 0 HIADMN COc1ccc(CCN(Cc2ccccc2)C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000426506013 856323277 /nfs/dbraw/zinc/32/32/77/856323277.db2.gz AUCRPCQQGWUFQP-GOSISDBHSA-N 0 1 406.530 4.112 20 0 HIADMN CCCN(Cc1cc(OC)c(OC)c(OC)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000426517510 856330404 /nfs/dbraw/zinc/33/04/04/856330404.db2.gz UFBGMTJOFWOFRN-KRWDZBQOSA-N 0 1 400.519 4.260 20 0 HIADMN O=C([O-])c1csc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)n1 ZINC000426638753 856388637 /nfs/dbraw/zinc/38/86/37/856388637.db2.gz KHIWGOFDOOKZOM-UHFFFAOYSA-N 0 1 410.524 4.104 20 0 HIADMN Cc1nc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)ccc1C(=O)[O-] ZINC000426661802 856399714 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CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCCC[C@H](SC)C2)CC1 ZINC000435671129 860950660 /nfs/dbraw/zinc/95/06/60/860950660.db2.gz CAVORHFWZXLBNA-KRWDZBQOSA-N 0 1 411.015 4.231 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)N[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000467778983 881600253 /nfs/dbraw/zinc/60/02/53/881600253.db2.gz ZGQMCVHODVNZPV-UPVQGACJSA-N 0 1 422.573 4.179 20 0 HIADMN C[S@](=O)c1ccc(CC(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 ZINC000435697132 860979423 /nfs/dbraw/zinc/97/94/23/860979423.db2.gz MUCHKOAXODBTCW-LJAQVGFWSA-N 0 1 407.470 4.288 20 0 HIADMN Cn1ccnc1-c1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000435711574 860994002 /nfs/dbraw/zinc/99/40/02/860994002.db2.gz QMRSQYAZHRESAO-UHFFFAOYSA-N 0 1 411.387 4.748 20 0 HIADMN Cc1c(NS(=O)(=O)c2c(C)cc(Br)cc2C)cnn1C1CCCC1 ZINC000435731144 861013170 /nfs/dbraw/zinc/01/31/70/861013170.db2.gz IMJVGKMUCLMJBE-UHFFFAOYSA-N 0 1 412.353 4.487 20 0 HIADMN O=S(=O)(Nc1cc2c(cc1Br)CCC2)c1ccc(Br)o1 ZINC000435735521 861017055 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CC[C@H](C(=O)NC1CCN(Cc2ccncc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000438275554 863744065 /nfs/dbraw/zinc/74/40/65/863744065.db2.gz ZEDBLAAEHFGIAG-FQEVSTJZSA-N 0 1 405.464 4.375 20 0 HIADMN CC(C)CN1Cc2cccc(NC(=O)[C@H]3CCCN3c3ncnc4sccc43)c2C1 ZINC000438348083 863816905 /nfs/dbraw/zinc/81/69/05/863816905.db2.gz IYHMNNWNVSQZJX-HXUWFJFHSA-N 0 1 421.570 4.270 20 0 HIADMN COc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3ccco3)N3CCCC3)cn2)cc1 ZINC000438407194 863852398 /nfs/dbraw/zinc/85/23/98/863852398.db2.gz HMEGGRZVDUUXCP-FQEVSTJZSA-N 0 1 422.485 4.434 20 0 HIADMN CCOc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1C ZINC000438421291 863858549 /nfs/dbraw/zinc/85/85/49/863858549.db2.gz OBAIWKBJKDNHDQ-QGZVFWFLSA-N 0 1 404.392 4.050 20 0 HIADMN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000438427516 863860778 /nfs/dbraw/zinc/86/07/78/863860778.db2.gz PCUWMELBUOFQCB-MBOZVWFJSA-N 0 1 405.477 4.404 20 0 HIADMN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000438427516 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CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(NC(C)=O)c2C)CC1 ZINC000467862055 881714676 /nfs/dbraw/zinc/71/46/76/881714676.db2.gz GTCOBBNSYSCNCV-UHFFFAOYSA-N 0 1 414.937 4.001 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000438552009 863982067 /nfs/dbraw/zinc/98/20/67/863982067.db2.gz GJVRLNQMLGSXIP-IBGZPJMESA-N 0 1 414.546 4.357 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@@H](C)C(=O)Nc2c(C)cccc2C)c1 ZINC000438552968 863984507 /nfs/dbraw/zinc/98/45/07/863984507.db2.gz PNKYAGFZAPXXMM-SFHVURJKSA-N 0 1 400.519 4.049 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC1(c2ccccc2)CCC1 ZINC000438653629 864095577 /nfs/dbraw/zinc/09/55/77/864095577.db2.gz XTVUBNYSBIWJPJ-UHFFFAOYSA-N 0 1 422.573 4.081 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000438659607 864106993 /nfs/dbraw/zinc/10/69/93/864106993.db2.gz ZNKIKVZOCDIILS-WIYYLYMNSA-N 0 1 402.583 4.270 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccc(C(C)C)cc1 ZINC000438662958 864113969 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OC[C@@]1(c2ccccc2)CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000463379043 876435007 /nfs/dbraw/zinc/43/50/07/876435007.db2.gz YKSPCBJVPRABSA-HXUWFJFHSA-N 0 1 404.297 4.179 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000463381790 876436665 /nfs/dbraw/zinc/43/66/65/876436665.db2.gz PEBRQBZHKVTBJN-CABCVRRESA-N 0 1 401.297 4.241 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000463405814 876459375 /nfs/dbraw/zinc/45/93/75/876459375.db2.gz PGKGCMQPYCZWGI-INIZCTEOSA-N 0 1 408.933 4.011 20 0 HIADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463432230 876488012 /nfs/dbraw/zinc/48/80/12/876488012.db2.gz SZKAKIFXETVLMV-FQRUVTKNSA-N 0 1 402.538 4.484 20 0 HIADMN COc1cccc([C@H](CNC(=O)[C@H](C)c2ccc(Br)s2)N(C)C)c1 ZINC000463435867 876491451 /nfs/dbraw/zinc/49/14/51/876491451.db2.gz KSPFRXKUMNMRJB-DOMZBBRYSA-N 0 1 411.365 4.042 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000463436657 876493553 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C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1nc(=O)c2sccc2[n-]1 ZINC000467287814 881033951 /nfs/dbraw/zinc/03/39/51/881033951.db2.gz JZSKARFOAFZGSZ-UHFFFAOYSA-N 0 1 401.495 4.344 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000467294675 881040801 /nfs/dbraw/zinc/04/08/01/881040801.db2.gz BXCIUWSYDJGCSX-OAHLLOKOSA-N 0 1 421.501 4.126 20 0 HIADMN C[C@@H]1CCCC[C@H]1NC(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301658 881051779 /nfs/dbraw/zinc/05/17/79/881051779.db2.gz PSVRXAMOTYMHDT-OXQOHEQNSA-N 0 1 423.395 4.125 20 0 HIADMN FC(F)(F)c1nnc(N2CCCN(Cc3cccc(-c4ccccn4)c3)CC2)s1 ZINC000467351348 881108081 /nfs/dbraw/zinc/10/80/81/881108081.db2.gz AWZPPWTUTKTKII-UHFFFAOYSA-N 0 1 419.476 4.331 20 0 HIADMN COc1cc2c(cc1F)CC[C@@H]2N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000467353680 881112530 /nfs/dbraw/zinc/11/25/30/881112530.db2.gz JXAAITTVAFRHEJ-BVSLBCMMSA-N 0 1 404.913 4.137 20 0 HIADMN CCCOc1cccc(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000467363440 881131169 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CC(C)(C)OC(=O)Cc1ccccc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000467411529 881199583 /nfs/dbraw/zinc/19/95/83/881199583.db2.gz DJKHBPZQKGGQGR-IBGZPJMESA-N 0 1 413.518 4.122 20 0 HIADMN CCS(=O)(=O)c1cccc(CN[C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000467415914 881204913 /nfs/dbraw/zinc/20/49/13/881204913.db2.gz FVQOSJDNFFXGMH-SFHVURJKSA-N 0 1 411.571 4.442 20 0 HIADMN Cc1c([C@@H](C)NC2CCN(c3nccs3)CC2)nnn1-c1cccc(Cl)c1 ZINC000467438918 881236831 /nfs/dbraw/zinc/23/68/31/881236831.db2.gz RENVFAPVGWBSHX-CYBMUJFWSA-N 0 1 402.955 4.005 20 0 HIADMN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467459629 881267551 /nfs/dbraw/zinc/26/75/51/881267551.db2.gz QYQNBTOCFDOCAH-UWJYYQICSA-N 0 1 404.518 4.403 20 0 HIADMN O=C(Nc1ccc2nc(Cc3ccccc3)oc2c1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000467467863 881283618 /nfs/dbraw/zinc/28/36/18/881283618.db2.gz WBYOQKKOBNLJPB-JOCHJYFZSA-N 0 1 424.464 4.448 20 0 HIADMN CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000467481101 881302486 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ZINC000469433058 883619660 /nfs/dbraw/zinc/61/96/60/883619660.db2.gz AEJQDUPLNFRBNW-GOSISDBHSA-N 0 1 419.978 4.349 20 0 HIADMN CC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469461476 883672949 /nfs/dbraw/zinc/67/29/49/883672949.db2.gz TYULZCRHOKSACM-IBGZPJMESA-N 0 1 422.451 4.397 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C ZINC000469464740 883682035 /nfs/dbraw/zinc/68/20/35/883682035.db2.gz MPIPKRSPONDOMO-IBGZPJMESA-N 0 1 422.451 4.397 20 0 HIADMN CCC(=O)Nc1cccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469474638 883703800 /nfs/dbraw/zinc/70/38/00/883703800.db2.gz OWJFERHACHYUAD-GOSISDBHSA-N 0 1 407.436 4.087 20 0 HIADMN CC(C)[C@@H]1C[C@@H](CC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CCO1 ZINC000469486754 883720672 /nfs/dbraw/zinc/72/06/72/883720672.db2.gz YNKVQPHJGHGFCA-IPELMVKDSA-N 0 1 400.485 4.266 20 0 HIADMN CN(C)[C@H](CNC(=O)Cc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1 ZINC000469489472 883726327 /nfs/dbraw/zinc/72/63/27/883726327.db2.gz GVHNXYQFBWPERX-MRXNPFEDSA-N 0 1 416.390 4.268 20 0 HIADMN COc1cccc2[nH]cc(CC(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)c21 ZINC000469494484 883735475 /nfs/dbraw/zinc/73/54/75/883735475.db2.gz UMAQWQUXZFKMQG-SFHVURJKSA-N 0 1 419.447 4.157 20 0 HIADMN COc1ccc(CCCC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000469494647 883735606 /nfs/dbraw/zinc/73/56/06/883735606.db2.gz WDITUAQVSSXUHC-HXUWFJFHSA-N 0 1 408.464 4.456 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cccc([C@@H]2CCOC2)c1)c1cccc(C(F)(F)F)c1 ZINC000469497046 883739846 /nfs/dbraw/zinc/73/98/46/883739846.db2.gz CUCIQTPGTOKSMM-UYAOXDASSA-N 0 1 406.448 4.242 20 0 HIADMN CN(C)[C@@H](CNC(=O)C[C@@H]1OCCc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000469498415 883740713 /nfs/dbraw/zinc/74/07/13/883740713.db2.gz WSURXBJKNHHYPE-PMACEKPBSA-N 0 1 406.448 4.128 20 0 HIADMN CCO[C@@H](C)c1ncc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)s1 ZINC000469507291 883760715 /nfs/dbraw/zinc/76/07/15/883760715.db2.gz VBKXFKFZUKUUHZ-SWLSCSKDSA-N 0 1 415.481 4.292 20 0 HIADMN O=C(c1cccc(CNc2ccnc3cc(C(F)(F)F)ccc32)c1)N1CCOCC1 ZINC000469546455 883808500 /nfs/dbraw/zinc/80/85/00/883808500.db2.gz FVXJJCREFVODJS-UHFFFAOYSA-N 0 1 415.415 4.338 20 0 HIADMN Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000503648557 912753273 /nfs/dbraw/zinc/75/32/73/912753273.db2.gz QAQRJBZPXHEIMD-REWPJTCUSA-N 0 1 415.541 4.092 20 0 HIADMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000503648557 912753293 /nfs/dbraw/zinc/75/32/93/912753293.db2.gz QAQRJBZPXHEIMD-REWPJTCUSA-N 0 1 415.541 4.092 20 0 HIADMN CN1CCN(Cc2ccc(C(=O)Nc3ccc(OC4CCCC4)c(F)c3)cc2)CC1 ZINC000469593473 883827789 /nfs/dbraw/zinc/82/77/89/883827789.db2.gz TVXOFFFTXGSRGV-UHFFFAOYSA-N 0 1 411.521 4.147 20 0 HIADMN COc1cc(CN(C)[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)ccc1SC ZINC000469608479 883833293 /nfs/dbraw/zinc/83/32/93/883833293.db2.gz FADCCTTZUGROPF-IBGZPJMESA-N 0 1 420.525 4.318 20 0 HIADMN Cc1ccc(C)c([C@H]2CN(C(=O)c3ccc(Nc4ccncc4)cc3)[C@@H](C)CO2)c1 ZINC000469629044 883840525 /nfs/dbraw/zinc/84/05/25/883840525.db2.gz BEXZZPULJQKDFM-YADARESESA-N 0 1 401.510 4.466 20 0 HIADMN CCOc1cc(Cl)ccc1NC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000469658437 883852898 /nfs/dbraw/zinc/85/28/98/883852898.db2.gz BWVRWTPFLLIACI-UHFFFAOYSA-N 0 1 417.937 4.487 20 0 HIADMN Cc1cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)nn1[C@@H](C)C1CC1 ZINC000469671876 883862306 /nfs/dbraw/zinc/86/23/06/883862306.db2.gz AGSIWAFUSFUVME-KBXCAEBGSA-N 0 1 423.483 4.606 20 0 HIADMN C[C@H](OCc1ccccc1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000469707696 883880927 /nfs/dbraw/zinc/88/09/27/883880927.db2.gz NENVPGJNGXDVAD-SFHVURJKSA-N 0 1 400.950 4.274 20 0 HIADMN Cc1nnc(SCC(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)[nH]1 ZINC000469713994 883883093 /nfs/dbraw/zinc/88/30/93/883883093.db2.gz ZPMZPSRCFBUZJJ-GOSISDBHSA-N 0 1 404.898 4.212 20 0 HIADMN Cc1n[nH]c(SCC(=O)N[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)n1 ZINC000469713994 883883095 /nfs/dbraw/zinc/88/30/95/883883095.db2.gz ZPMZPSRCFBUZJJ-GOSISDBHSA-N 0 1 404.898 4.212 20 0 HIADMN CC[C@H](C)[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000469719598 883885838 /nfs/dbraw/zinc/88/58/38/883885838.db2.gz YWWRFHCWSRHBCM-MBSDFSHPSA-N 0 1 414.981 4.151 20 0 HIADMN COc1ccc2c(c1)[C@H](C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)CC2 ZINC000469732919 883891686 /nfs/dbraw/zinc/89/16/86/883891686.db2.gz GPPNQHDGGIFQKU-RADWXHQJSA-N 0 1 416.924 4.327 20 0 HIADMN COc1cc(Br)ccc1[C@@H](C)NCC(=O)N(C)Cc1ccccc1C ZINC000469739770 883896684 /nfs/dbraw/zinc/89/66/84/883896684.db2.gz PHJOCXQIPAVNDG-OAHLLOKOSA-N 0 1 405.336 4.075 20 0 HIADMN COc1ccc([C@@H](CN[C@H](C)c2csc(C(C)C)n2)N2CCOCC2)cc1OC ZINC000469783417 883959596 /nfs/dbraw/zinc/95/95/96/883959596.db2.gz NBQTZPLWOWKEDH-VQIMIIECSA-N 0 1 419.591 4.008 20 0 HIADMN O=C(CCc1ncc(-c2ccccc2)o1)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000469848379 884029941 /nfs/dbraw/zinc/02/99/41/884029941.db2.gz JECNQRWVGZHBHF-NRFANRHFSA-N 0 1 421.566 4.008 20 0 HIADMN CCOc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1Br ZINC000469979783 884192475 /nfs/dbraw/zinc/19/24/75/884192475.db2.gz BLCOTYWILVNCAF-UHFFFAOYSA-N 0 1 407.289 4.197 20 0 HIADMN COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1 ZINC000469980834 884194251 /nfs/dbraw/zinc/19/42/51/884194251.db2.gz HKUFBNQLGSNKJJ-UHFFFAOYSA-N 0 1 414.327 4.237 20 0 HIADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CC[C@@H](C(F)(F)F)C2(C)C)c1 ZINC000470000501 884217697 /nfs/dbraw/zinc/21/76/97/884217697.db2.gz RARBRMPHRBRIKM-FUHWJXTLSA-N 0 1 414.468 4.030 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)CC1 ZINC000503696544 912800975 /nfs/dbraw/zinc/80/09/75/912800975.db2.gz OCPCDWHIPHMZSB-QFIPXVFZSA-N 0 1 420.561 4.224 20 0 HIADMN C[C@@H](CO)N1CCCN(C(=O)c2c(Cl)cccc2Oc2ccccc2Cl)CC1 ZINC000470051447 884298845 /nfs/dbraw/zinc/29/88/45/884298845.db2.gz RPOYFEWSLQAGPY-HNNXBMFYSA-N 0 1 423.340 4.314 20 0 HIADMN C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C[C@H](c2ccsc2)O1 ZINC000470067934 884322966 /nfs/dbraw/zinc/32/29/66/884322966.db2.gz AEOUZIFIXYEHAW-IIBYNOLFSA-N 0 1 417.550 4.023 20 0 HIADMN COc1ccc([C@H](C)NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1 ZINC000470078113 884335911 /nfs/dbraw/zinc/33/59/11/884335911.db2.gz DVNPHHBEDNUMKI-IFXJQAMLSA-N 0 1 409.452 4.377 20 0 HIADMN C[C@@H](Cc1ccccc1Br)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000470084563 884342101 /nfs/dbraw/zinc/34/21/01/884342101.db2.gz DDHMMORKBWLDNE-AWEZNQCLSA-N 0 1 422.342 4.080 20 0 HIADMN COc1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1OCc1ccc(Cl)cc1 ZINC000470146428 884412704 /nfs/dbraw/zinc/41/27/04/884412704.db2.gz IOZZQYLMSSTBAV-KPLVRAHFSA-N 0 1 414.933 4.013 20 0 HIADMN CCN(CC(=O)NCc1cccnc1)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470170201 884448478 /nfs/dbraw/zinc/44/84/78/884448478.db2.gz QGXGAJMGILTFAV-LJQANCHMSA-N 0 1 403.526 4.457 20 0 HIADMN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000470191688 884490882 /nfs/dbraw/zinc/49/08/82/884490882.db2.gz XWWGFSQOLBZWST-HNNXBMFYSA-N 0 1 418.379 4.372 20 0 HIADMN CO[C@H](C)c1nc(CN2CCCN(CCOc3cccc(Cl)c3)CC2)cs1 ZINC000470207160 884523751 /nfs/dbraw/zinc/52/37/51/884523751.db2.gz NERKMAPDONZBHW-MRXNPFEDSA-N 0 1 409.983 4.091 20 0 HIADMN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2n[nH]c3ccc(Br)cc32)cc1 ZINC000470246810 884579655 /nfs/dbraw/zinc/57/96/55/884579655.db2.gz IQMVQSUZZCUQBG-PKOBYXMFSA-N 0 1 414.303 4.284 20 0 HIADMN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc(CN3CCSCC3)cc2)cc1 ZINC000470268477 884619142 /nfs/dbraw/zinc/61/91/42/884619142.db2.gz YLMYONWZEKPTKO-GOTSBHOMSA-N 0 1 410.583 4.194 20 0 HIADMN C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)CCN1c1ccccc1 ZINC000470274304 884631706 /nfs/dbraw/zinc/63/17/06/884631706.db2.gz JXDRMNGSGXJYRD-HLLBOEOZSA-N 0 1 406.452 4.050 20 0 HIADMN CC(C)(CNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)c1cccc(Cl)c1F ZINC000470282331 884649521 /nfs/dbraw/zinc/64/95/21/884649521.db2.gz HFVXUSSFAFRMLJ-AWEZNQCLSA-N 0 1 419.932 4.341 20 0 HIADMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000470285051 884654257 /nfs/dbraw/zinc/65/42/57/884654257.db2.gz JQFOWQQTDHXNJB-SFHVURJKSA-N 0 1 415.406 4.428 20 0 HIADMN CC(C)COC1CCN(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)CC1 ZINC000470287568 884656552 /nfs/dbraw/zinc/65/65/52/884656552.db2.gz HJWCBBJPWMHLBK-LJQANCHMSA-N 0 1 415.500 4.155 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@@H](c1cccnc1)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000470288320 884659513 /nfs/dbraw/zinc/65/95/13/884659513.db2.gz SHCPCDKRQKCGTP-RBUKOAKNSA-N 0 1 406.452 4.154 20 0 HIADMN CN(C)[C@H](CNC(=O)N(Cc1ccccn1)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000470291081 884664378 /nfs/dbraw/zinc/66/43/78/884664378.db2.gz XUZIQYDLOOQOJF-LJQANCHMSA-N 0 1 406.452 4.077 20 0 HIADMN CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000470292732 884666127 /nfs/dbraw/zinc/66/61/27/884666127.db2.gz KWIGTUZOAYGSMR-MOPGFXCFSA-N 0 1 406.452 4.250 20 0 HIADMN CN(C)[C@@H](CNC(=O)NCc1ccn(C2CCCC2)n1)c1cccc(C(F)(F)F)c1 ZINC000470299893 884675083 /nfs/dbraw/zinc/67/50/83/884675083.db2.gz WHRYGNMYADOYGT-IBGZPJMESA-N 0 1 423.483 4.119 20 0 HIADMN 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COc1ccc(F)c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1OC ZINC000472139942 886934710 /nfs/dbraw/zinc/93/47/10/886934710.db2.gz JKSWQIJVMBAEDT-INIZCTEOSA-N 0 1 406.523 4.107 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)NCc3ccc4ncccc4c3)CCN2C2CC2)c1 ZINC000472142109 886938441 /nfs/dbraw/zinc/93/84/41/886938441.db2.gz LCGDMKVBGJDEHG-BJKOFHAPSA-N 0 1 416.525 4.021 20 0 HIADMN Cc1ccc(SC[C@@H](C)NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000472159215 886957497 /nfs/dbraw/zinc/95/74/97/886957497.db2.gz RKKMIYKUCYDVAP-LJQANCHMSA-N 0 1 412.603 4.358 20 0 HIADMN C[C@H]1CCN(C(=O)c2cc3c(C(F)F)nn(C)c3s2)CCN1Cc1ccccc1 ZINC000472206327 887006501 /nfs/dbraw/zinc/00/65/01/887006501.db2.gz JCHQUGNPJCIMIL-AWEZNQCLSA-N 0 1 418.513 4.309 20 0 HIADMN CCCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504234706 913106753 /nfs/dbraw/zinc/10/67/53/913106753.db2.gz FCFPMTVDSMOLGB-MSOLQXFVSA-N 0 1 410.562 4.294 20 0 HIADMN COC1CCC(C)(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)CC1 ZINC000472296674 887118743 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HIADMN CN(C)Cc1ccsc1C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000472444585 887295332 /nfs/dbraw/zinc/29/53/32/887295332.db2.gz BJAYBCQKOOSGMV-UHFFFAOYSA-N 0 1 411.502 4.131 20 0 HIADMN O=C(NCc1ccc2ncccc2c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000472518564 887387652 /nfs/dbraw/zinc/38/76/52/887387652.db2.gz HQLHDGBYWMGNFN-HXUWFJFHSA-N 0 1 412.497 4.109 20 0 HIADMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000472612859 887482120 /nfs/dbraw/zinc/48/21/20/887482120.db2.gz QQKBIBZTUHMPJD-UHFFFAOYSA-N 0 1 404.841 4.327 20 0 HIADMN FC(F)(F)c1[nH]nc2c1C[C@H](c1nc(-c3ccc(Br)o3)no1)CC2 ZINC000472675080 887529636 /nfs/dbraw/zinc/52/96/36/887529636.db2.gz RPRIFFUKPSAXTP-ZCFIWIBFSA-N 0 1 403.158 4.107 20 0 HIADMN C[C@H](c1cn(-c2ccccc2)nn1)N(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000472676349 887531355 /nfs/dbraw/zinc/53/13/55/887531355.db2.gz HEOUXAAVBYRPDJ-QGZVFWFLSA-N 0 1 404.493 4.422 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CC2(CSc3ccccc3)CC2)c1 ZINC000472725198 887572598 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0 HIADMN COc1cccc(-c2cc(C(=O)Nc3nn([C@H](C)c4ccccc4)cc3C)[nH]n2)c1 ZINC000472954917 887803544 /nfs/dbraw/zinc/80/35/44/887803544.db2.gz RLJRCSNXYFSFCM-MRXNPFEDSA-N 0 1 401.470 4.452 20 0 HIADMN Cn1c(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1 ZINC000473041512 887863477 /nfs/dbraw/zinc/86/34/77/887863477.db2.gz ALYLJYGLWCHSHS-GOSISDBHSA-N 0 1 419.920 4.258 20 0 HIADMN Cn1c(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000473041512 887863484 /nfs/dbraw/zinc/86/34/84/887863484.db2.gz ALYLJYGLWCHSHS-GOSISDBHSA-N 0 1 419.920 4.258 20 0 HIADMN Cc1nc2cc(C(=O)N3CCC(c4cnc[nH]4)CC3)ccc2n1Cc1ccsc1 ZINC000473089160 887901553 /nfs/dbraw/zinc/90/15/53/887901553.db2.gz APIRSDJHJAFXAV-UHFFFAOYSA-N 0 1 405.527 4.197 20 0 HIADMN COc1ccc(OCc2ccccn2)c(CN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000473117085 887912638 /nfs/dbraw/zinc/91/26/38/887912638.db2.gz JFCACBGLFSEQDK-VWLOTQADSA-N 0 1 402.494 4.301 20 0 HIADMN CCn1nc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c2ccccc21 ZINC000473122569 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AJLQKQYAIROPGS-HNNXBMFYSA-N 0 1 402.514 4.119 20 0 HIADMN C[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000481178266 896515025 /nfs/dbraw/zinc/51/50/25/896515025.db2.gz RXAAKMAFUZYZTQ-CQSZACIVSA-N 0 1 410.319 4.421 20 0 HIADMN C[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccsc1 ZINC000481182542 896523992 /nfs/dbraw/zinc/52/39/92/896523992.db2.gz PJWJCBJTAUVYQU-HNNXBMFYSA-N 0 1 404.532 4.217 20 0 HIADMN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccccc1OC(F)(F)F ZINC000481188765 896535995 /nfs/dbraw/zinc/53/59/95/896535995.db2.gz HPHFTDMKZUOOLP-QGZVFWFLSA-N 0 1 424.463 4.147 20 0 HIADMN CC[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cc(Cl)ccc1OC ZINC000481192821 896545549 /nfs/dbraw/zinc/54/55/49/896545549.db2.gz QZJNGTYRGLGCIX-OAQYLSRUSA-N 0 1 418.965 4.301 20 0 HIADMN Cc1nc(CN2CCCN(Cc3cn(-c4ccccc4)nc3C(C)C)CC2)cs1 ZINC000505413250 914077606 /nfs/dbraw/zinc/07/76/06/914077606.db2.gz GHXURPGFOFHGND-UHFFFAOYSA-N 0 1 409.603 4.469 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCSCC4)c3C)n[nH]2)cc1 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4.460 20 0 HIADMN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4CC[C@@H]([C@@H](C)O)C4)cc3)sc2c1 ZINC000506055647 914757915 /nfs/dbraw/zinc/75/79/15/914757915.db2.gz GNQDWZAIGYGCAT-LZLYRXPVSA-N 0 1 409.555 4.301 20 0 HIADMN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000490298973 903886223 /nfs/dbraw/zinc/88/62/23/903886223.db2.gz HUSVZUIXTDRTMD-IAGOWNOFSA-N 0 1 423.542 4.108 20 0 HIADMN Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000490298973 903886225 /nfs/dbraw/zinc/88/62/25/903886225.db2.gz HUSVZUIXTDRTMD-IAGOWNOFSA-N 0 1 423.542 4.108 20 0 HIADMN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@@H](C)N3CCc4ccccc4C3)nc2c1 ZINC000490303143 903891032 /nfs/dbraw/zinc/89/10/32/903891032.db2.gz ZYSQHVJXLLXLAE-JPYJTQIMSA-N 0 1 417.557 4.165 20 0 HIADMN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000490315890 903896673 /nfs/dbraw/zinc/89/66/73/903896673.db2.gz NYFSFXZMYTWZTF-YGRLFVJLSA-N 0 1 402.376 4.429 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)COc2ccc(OCc3ccccc3)cc2)n[nH]1 ZINC000490342055 903934383 /nfs/dbraw/zinc/93/43/83/903934383.db2.gz JDTWTAINPZDKMN-DLBZAZTESA-N 0 1 408.502 4.153 20 0 HIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000490348097 903941209 /nfs/dbraw/zinc/94/12/09/903941209.db2.gz YXWUJIMNWNNYLP-OAHLLOKOSA-N 0 1 405.376 4.392 20 0 HIADMN Fc1cc(Br)cc2c1CC[C@H]2NCc1ccncc1OC[C@@H]1CCOC1 ZINC000490360245 903952725 /nfs/dbraw/zinc/95/27/25/903952725.db2.gz CDPBQSSPELIWQW-BFUOFWGJSA-N 0 1 421.310 4.176 20 0 HIADMN Fc1ccc([C@@H](NCCCn2cc(Br)cn2)c2cccnc2)c(F)c1 ZINC000490375197 903968178 /nfs/dbraw/zinc/96/81/78/903968178.db2.gz UZMVGMHJDDGGLT-SFHVURJKSA-N 0 1 407.262 4.088 20 0 HIADMN Cc1nc(S(=O)(=O)[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[nH]c1-c1ccccc1 ZINC000490413315 903995814 /nfs/dbraw/zinc/99/58/14/903995814.db2.gz LSBYBNGBSLXLEK-KRWDZBQOSA-N 0 1 411.527 4.111 20 0 HIADMN Cc1nc(C(F)(F)F)c(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[nH]2)s1 ZINC000490421144 903999134 /nfs/dbraw/zinc/99/91/34/903999134.db2.gz UGSLFNDMXBQLGJ-UHFFFAOYSA-N 0 1 401.435 4.143 20 0 HIADMN Brc1ccc2c(c1)[C@H](NCc1ccncc1OC[C@@H]1CCOC1)CCC2 ZINC000490432214 904006565 /nfs/dbraw/zinc/00/65/65/904006565.db2.gz KNZNSGIMEJEWMT-FOIQADDNSA-N 0 1 417.347 4.427 20 0 HIADMN Cc1nc(S(=O)(=O)[C@H](C)C(=O)Nc2ccccc2C(C)C)[nH]c1-c1ccccc1 ZINC000490464361 904024634 /nfs/dbraw/zinc/02/46/34/904024634.db2.gz NZECQLANSQKLBI-MRXNPFEDSA-N 0 1 411.527 4.309 20 0 HIADMN CCN(C(=O)c1ccc(Br)c([O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000490549160 904093675 /nfs/dbraw/zinc/09/36/75/904093675.db2.gz XQGZRCBYHLUJBZ-QAPCUYQASA-N 0 1 417.347 4.452 20 0 HIADMN CCCCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 ZINC000490565389 904103454 /nfs/dbraw/zinc/10/34/54/904103454.db2.gz IYIVFWWOMWGJCY-HSZRJFAPSA-N 0 1 423.557 4.066 20 0 HIADMN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000490605146 904130118 /nfs/dbraw/zinc/13/01/18/904130118.db2.gz HFKCUUUYJYTWMD-UHFFFAOYSA-N 0 1 420.439 4.141 20 0 HIADMN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)c1 ZINC000490609901 904133681 /nfs/dbraw/zinc/13/36/81/904133681.db2.gz RJZQRKOKTMQKPP-GFCCVEGCSA-N 0 1 418.375 4.099 20 0 HIADMN COc1ccc([C@@H](CNC(=O)NCCc2cccc(F)c2F)N2CCCCC2)cc1 ZINC000490828136 904272507 /nfs/dbraw/zinc/27/25/07/904272507.db2.gz PKWPXOYRJAYJCW-OAQYLSRUSA-N 0 1 417.500 4.042 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1F ZINC000490850449 904287322 /nfs/dbraw/zinc/28/73/22/904287322.db2.gz YWXCEYTWZFRYJO-IBGZPJMESA-N 0 1 422.426 4.471 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)n3ccc4ccccc4c3=O)[nH]c2c1 ZINC000490962602 904339503 /nfs/dbraw/zinc/33/95/03/904339503.db2.gz NTPKAXZHQUSWFW-KKSFZXQISA-N 0 1 400.482 4.111 20 0 HIADMN Cc1nc2n(n1)C[C@@H](N[C@H](c1ccccc1)c1ccc(Br)cc1F)CC2 ZINC000491038954 904391095 /nfs/dbraw/zinc/39/10/95/904391095.db2.gz QJWKHJCLSNXTNQ-OXJNMPFZSA-N 0 1 415.310 4.182 20 0 HIADMN C[C@H](NC(=O)N1Cc2cccc(Cl)c2C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000491050993 904394754 /nfs/dbraw/zinc/39/47/54/904394754.db2.gz INYZSBXAGKNGGT-HNNXBMFYSA-N 0 1 416.928 4.017 20 0 HIADMN Cc1nc([C@@H](C)NC(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n[nH]1 ZINC000491059314 904402988 /nfs/dbraw/zinc/40/29/88/904402988.db2.gz ZNTRYSQANAGVTJ-GFCCVEGCSA-N 0 1 419.407 4.485 20 0 HIADMN COc1ccc(C(=O)CCC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c(Cl)c1 ZINC000506108877 914807091 /nfs/dbraw/zinc/80/70/91/914807091.db2.gz LCUWFSFKTITSEA-HXUWFJFHSA-N 0 1 402.922 4.039 20 0 HIADMN CCC1(CO)CCN([C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000491116500 904438856 /nfs/dbraw/zinc/43/88/56/904438856.db2.gz JXWSJJQEYTVDSV-GOSISDBHSA-N 0 1 413.587 4.185 20 0 HIADMN CCC1(CO)CCN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000491116503 904439194 /nfs/dbraw/zinc/43/91/94/904439194.db2.gz JXWSJJQEYTVDSV-SFHVURJKSA-N 0 1 413.587 4.185 20 0 HIADMN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ccc(CN2CCSCC2)cc1 ZINC000491202634 904480220 /nfs/dbraw/zinc/48/02/20/904480220.db2.gz QGYZWZMOKLZDEM-XZOQPEGZSA-N 0 1 410.583 4.103 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)N2CCCC2)cc1 ZINC000491207494 904482425 /nfs/dbraw/zinc/48/24/25/904482425.db2.gz XYCSHKRNZNUBCP-LJQANCHMSA-N 0 1 420.340 4.194 20 0 HIADMN CCN(CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)C1CC1 ZINC000491269123 904511465 /nfs/dbraw/zinc/51/14/65/904511465.db2.gz ZQIRMTJSRXGWJP-UHFFFAOYSA-N 0 1 400.910 4.085 20 0 HIADMN O=C(NCCN[C@@H](c1cccc(F)c1)c1cccc(Br)c1)c1ccco1 ZINC000491285360 904518614 /nfs/dbraw/zinc/51/86/14/904518614.db2.gz SNLDGBFHRZHBJV-LJQANCHMSA-N 0 1 417.278 4.290 20 0 HIADMN Cc1nn(C)c(C)c1CCN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000491314019 904533016 /nfs/dbraw/zinc/53/30/16/904533016.db2.gz BWTRKCWSRPSTJL-HSZRJFAPSA-N 0 1 411.933 4.383 20 0 HIADMN CN(C)[C@H](CNC(=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)c1cccs1 ZINC000506140175 914820666 /nfs/dbraw/zinc/82/06/66/914820666.db2.gz YAXQLELSDKQAEI-RHSMWYFYSA-N 0 1 416.522 4.220 20 0 HIADMN CS(=O)(=O)c1cccc([C@@H](NCCOc2ccccc2)c2ccc(F)c(F)c2)c1 ZINC000491365965 904560136 /nfs/dbraw/zinc/56/01/36/904560136.db2.gz GYAYYEZJAIFAKI-JOCHJYFZSA-N 0 1 417.477 4.126 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCCN2CCCCCC2)c2ccc(Cl)cc2)c1 ZINC000491395596 904575220 /nfs/dbraw/zinc/57/52/20/904575220.db2.gz JNYXFLVFBFAAAM-JOCHJYFZSA-N 0 1 421.006 4.299 20 0 HIADMN CCN(CC)[C@H](CNC(=O)NC[C@H](C)c1c(C)noc1C)c1ccccc1Cl ZINC000506157198 914827323 /nfs/dbraw/zinc/82/73/23/914827323.db2.gz FURXCOVFSXNPCQ-IFXJQAMLSA-N 0 1 406.958 4.431 20 0 HIADMN COCCN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)CC(C)C ZINC000506155815 914827543 /nfs/dbraw/zinc/82/75/43/914827543.db2.gz MJKCDQZDCUHVMP-QGZVFWFLSA-N 0 1 405.589 4.092 20 0 HIADMN COCCc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000491544849 904645673 /nfs/dbraw/zinc/64/56/73/904645673.db2.gz JUYOAOILYQMQSK-UHFFFAOYSA-N 0 1 407.495 4.220 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)n[nH]1 ZINC000491603429 904670982 /nfs/dbraw/zinc/67/09/82/904670982.db2.gz CNAGXALTNPTCEU-INIZCTEOSA-N 0 1 422.554 4.172 20 0 HIADMN Cc1ccc(C[C@@H](C)NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c(C)c1 ZINC000491607713 904673048 /nfs/dbraw/zinc/67/30/48/904673048.db2.gz QKJJNKBODMNJCE-UXHICEINSA-N 0 1 421.585 4.349 20 0 HIADMN C[C@@H](C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1c(F)cccc1F ZINC000491795063 904698135 /nfs/dbraw/zinc/69/81/35/904698135.db2.gz JXLNIAXITDAPPQ-SECBINFHSA-N 0 1 407.218 4.255 20 0 HIADMN COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491906976 904726796 /nfs/dbraw/zinc/72/67/96/904726796.db2.gz CBUUMSMWWMKATH-IEGUWTFLSA-N 0 1 402.966 4.427 20 0 HIADMN COc1cc(Br)c(CN[C@@H](C)[C@H]2OCCc3sccc32)cc1OC ZINC000492021210 904763021 /nfs/dbraw/zinc/76/30/21/904763021.db2.gz FMOKJSPRASUFFG-BBATYDOGSA-N 0 1 412.349 4.320 20 0 HIADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(COc3cc(C)ccc3C(C)C)cc2)n1 ZINC000492024311 904766023 /nfs/dbraw/zinc/76/60/23/904766023.db2.gz WRTMUCBGRJOJQJ-UHFFFAOYSA-N 0 1 407.518 4.488 20 0 HIADMN CC(C)c1ccc(/C=C\CC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000492075733 904786990 /nfs/dbraw/zinc/78/69/90/904786990.db2.gz LENHGXFMRGKHRD-HYXAFXHYSA-N 0 1 412.496 4.327 20 0 HIADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 ZINC000492077223 904791366 /nfs/dbraw/zinc/79/13/66/904791366.db2.gz CIGZTQHBMXEYPM-UHFFFAOYSA-N 0 1 417.918 4.349 20 0 HIADMN COC(=O)[C@H]1CC12CCN([C@@H](C(=O)c1c[nH]c3ccccc13)c1ccccc1)CC2 ZINC000506203048 914843911 /nfs/dbraw/zinc/84/39/11/914843911.db2.gz BNRWPPUZHRISRT-IFMALSPDSA-N 0 1 402.494 4.367 20 0 HIADMN OC[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Br)c(F)c1 ZINC000492223064 904817966 /nfs/dbraw/zinc/81/79/66/904817966.db2.gz GRONWPOOIRCFGR-INIZCTEOSA-N 0 1 422.216 4.353 20 0 HIADMN C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(C(F)(F)F)n4)cc3)[C@@H]2C1 ZINC000492236523 904820637 /nfs/dbraw/zinc/82/06/37/904820637.db2.gz IBUKSLTUWZGLKD-WMLDXEAASA-N 0 1 420.435 4.451 20 0 HIADMN C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1nnc[nH]1 ZINC000492236426 904821160 /nfs/dbraw/zinc/82/11/60/904821160.db2.gz GSEKKIXHPONKHE-GFCCVEGCSA-N 0 1 405.380 4.285 20 0 HIADMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492268706 904827014 /nfs/dbraw/zinc/82/70/14/904827014.db2.gz KMEGXNLIGMOJBI-UHFFFAOYSA-N 0 1 422.495 4.366 20 0 HIADMN OC[C@@H](NCc1ccc(Br)cc1)c1ccc(Br)c(F)c1 ZINC000492277167 904827755 /nfs/dbraw/zinc/82/77/55/904827755.db2.gz SIWVIMKUJKNWFS-OAHLLOKOSA-N 0 1 403.089 4.174 20 0 HIADMN CCC[C@H](NC(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 ZINC000492326547 904834473 /nfs/dbraw/zinc/83/44/73/904834473.db2.gz CDQISZNRQGVUIU-SFHVURJKSA-N 0 1 408.468 4.196 20 0 HIADMN Cc1ccc(O[C@@H](C)C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(Br)c1 ZINC000492393943 904841992 /nfs/dbraw/zinc/84/19/92/904841992.db2.gz FXFKZXDKBCVZQS-KBXCAEBGSA-N 0 1 423.326 4.083 20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C(=O)N3CCC(C)CC3)s2)cc1 ZINC000506215194 914848211 /nfs/dbraw/zinc/84/82/11/914848211.db2.gz NJONNCZAWZHBJB-DOTOQJQBSA-N 0 1 401.576 4.425 20 0 HIADMN CC(C)(NCc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccc1F ZINC000492441367 904850896 /nfs/dbraw/zinc/85/08/96/904850896.db2.gz NPKIMCOSJDCKQO-UHFFFAOYSA-N 0 1 406.929 4.215 20 0 HIADMN CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492577374 904870382 /nfs/dbraw/zinc/87/03/82/904870382.db2.gz DQTKKHFPLYXDCT-UHFFFAOYSA-N 0 1 422.495 4.286 20 0 HIADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000492714047 904893703 /nfs/dbraw/zinc/89/37/03/904893703.db2.gz ZFOFMWFVOIGIJT-CYBMUJFWSA-N 0 1 402.317 4.188 20 0 HIADMN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(Nc2ccncc2)cc1 ZINC000506228827 914853252 /nfs/dbraw/zinc/85/32/52/914853252.db2.gz XLSUEDRFHTZTPT-QFIPXVFZSA-N 0 1 401.514 4.366 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)c3cnn(C(C)C)c3n2)s1 ZINC000492834330 904918984 /nfs/dbraw/zinc/91/89/84/904918984.db2.gz HIBUKADCVSAPQO-CQSZACIVSA-N 0 1 420.542 4.060 20 0 HIADMN CS(=O)(=O)C[C@H](NCCSc1ccnc2cc(Cl)ccc21)c1ccccc1 ZINC000492947325 904958614 /nfs/dbraw/zinc/95/86/14/904958614.db2.gz BCILUDDQGBBAIC-IBGZPJMESA-N 0 1 420.987 4.356 20 0 HIADMN COc1ccc([C@@H](CNC(=O)[C@H]2CCCN2C2CC2)c2c[nH]c3ccccc32)cc1 ZINC000492959647 904968523 /nfs/dbraw/zinc/96/85/23/904968523.db2.gz KQOWRLBMUYOAIG-ZJSXRUAMSA-N 0 1 403.526 4.051 20 0 HIADMN Cc1nsc(NC2CC2)c1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000493026754 904991593 /nfs/dbraw/zinc/99/15/93/904991593.db2.gz MLIUXNIHDJVFTQ-UHFFFAOYSA-N 0 1 402.701 4.400 20 0 HIADMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc2ccccc2n1CC(F)(F)F ZINC000493074871 905010756 /nfs/dbraw/zinc/01/07/56/905010756.db2.gz FAUABWFIYTVKDV-SFHVURJKSA-N 0 1 401.432 4.208 20 0 HIADMN CC(=O)N1CC[C@@H](NCc2ccc(C)cc2OC[C@@H]2CCCO2)c2ccccc2C1 ZINC000493075908 905011183 /nfs/dbraw/zinc/01/11/83/905011183.db2.gz COKBCOXROPWHQM-LADGPHEKSA-N 0 1 408.542 4.136 20 0 HIADMN NC(=O)C1(CN[C@H](c2ccccc2)c2ccc(Br)cc2F)CCCC1 ZINC000493101632 905016764 /nfs/dbraw/zinc/01/67/64/905016764.db2.gz BKCMRDNCDRFBOR-GOSISDBHSA-N 0 1 405.311 4.313 20 0 HIADMN COc1ccc([C@@H](NC2CC(OC(C)(C)C)C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493236079 905060744 /nfs/dbraw/zinc/06/07/44/905060744.db2.gz YXXYMLFVVCGSAA-ZOGYUUGASA-N 0 1 417.571 4.124 20 0 HIADMN COCCC1(CN[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CCC1 ZINC000493248419 905068315 /nfs/dbraw/zinc/06/83/15/905068315.db2.gz NLGHVGRSBGSBMO-NRFANRHFSA-N 0 1 423.525 4.254 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCCc2cc(F)ccc2F)c2ccc(F)cc2)c1 ZINC000493300362 905080525 /nfs/dbraw/zinc/08/05/25/905080525.db2.gz CSNJZTSFYUBMRT-JOCHJYFZSA-N 0 1 419.468 4.429 20 0 HIADMN Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](c2cccs2)N(C)C)c(Br)c1 ZINC000493413227 905113426 /nfs/dbraw/zinc/11/34/26/905113426.db2.gz QYVIJGCDVBVRRS-ZFWWWQNUSA-N 0 1 411.365 4.005 20 0 HIADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000493439005 905116312 /nfs/dbraw/zinc/11/63/12/905116312.db2.gz LRNUWKNTODUMLI-PBHICJAKSA-N 0 1 417.962 4.128 20 0 HIADMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000493540360 905154526 /nfs/dbraw/zinc/15/45/26/905154526.db2.gz ZLHHUNKAKCJKIB-GFCCVEGCSA-N 0 1 402.285 4.142 20 0 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ZINC000525756787 930432328 /nfs/dbraw/zinc/43/23/28/930432328.db2.gz GQJNJUDOPRJACP-ILXRZTDVSA-N 0 1 422.447 4.393 20 0 HIADMN Cc1ccccc1C1CC(N(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C2CC2)C1 ZINC000525786183 930445099 /nfs/dbraw/zinc/44/50/99/930445099.db2.gz UQWOWNBMQCHROL-QNAFOZIXSA-N 0 1 422.544 4.445 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)N[C@@H]1CCc2ccc(F)cc21 ZINC000525849626 930465116 /nfs/dbraw/zinc/46/51/16/930465116.db2.gz XBXAUSHXSGTABO-SJORKVTESA-N 0 1 419.382 4.039 20 0 HIADMN O=C(NCC1(Sc2ccccc2)CCCC1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000525849157 930465255 /nfs/dbraw/zinc/46/52/55/930465255.db2.gz KQQOHNDBNLBTLK-IBGZPJMESA-N 0 1 407.543 4.298 20 0 HIADMN COc1c(Br)cc(Br)cc1CN(C)CCc1ccccn1 ZINC000525867314 930472540 /nfs/dbraw/zinc/47/25/40/930472540.db2.gz OJRSABPNNYTSRO-UHFFFAOYSA-N 0 1 414.141 4.290 20 0 HIADMN COc1ccc([C@H](CNC(=O)Cc2cnc3ccccc3c2)N2CCCCC2)cc1 ZINC000525884967 930476500 /nfs/dbraw/zinc/47/65/00/930476500.db2.gz PISIAMBPBRDHKR-DEOSSOPVSA-N 0 1 403.526 4.129 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1c[nH]c2ncc(Br)cc12)c1ccc(Cl)cc1 ZINC000525925350 930483618 /nfs/dbraw/zinc/48/36/18/930483618.db2.gz LYEKABQGVTWQBL-INIZCTEOSA-N 0 1 421.726 4.012 20 0 HIADMN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000526074399 930520793 /nfs/dbraw/zinc/52/07/93/930520793.db2.gz FODFEVGAGMXTON-OAHLLOKOSA-N 0 1 419.464 4.047 20 0 HIADMN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000526074399 930520805 /nfs/dbraw/zinc/52/08/05/930520805.db2.gz FODFEVGAGMXTON-OAHLLOKOSA-N 0 1 419.464 4.047 20 0 HIADMN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cc(F)ccc2Cl)C(C)C)cc1 ZINC000526082737 930523451 /nfs/dbraw/zinc/52/34/51/930523451.db2.gz DGMQLBRTVWZGRW-IBGZPJMESA-N 0 1 408.901 4.088 20 0 HIADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)(C)CC)ccc2OC)cc1 ZINC000526940661 930553133 /nfs/dbraw/zinc/55/31/33/930553133.db2.gz BBLWQHWWKCGCSS-UHFFFAOYSA-N 0 1 418.559 4.319 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2csc(C(F)(F)F)n2)N2CCCCC2)cc1 ZINC000526966680 930558985 /nfs/dbraw/zinc/55/89/85/930558985.db2.gz OQTVPGWWEFNBEK-INIZCTEOSA-N 0 1 413.465 4.128 20 0 HIADMN Cn1c2ccc(CN[C@@H]3CSc4ccc(Br)cc43)cc2sc1=O ZINC000526994352 930563085 /nfs/dbraw/zinc/56/30/85/930563085.db2.gz OPQXMGOUTCEWGM-CYBMUJFWSA-N 0 1 407.358 4.299 20 0 HIADMN C[C@@H](N[C@@H](C)Cn1ncc2ccccc2c1=O)c1ccc(Br)cc1F ZINC000527110106 930593796 /nfs/dbraw/zinc/59/37/96/930593796.db2.gz UROIOGSJSBWYKY-QWHCGFSZSA-N 0 1 404.283 4.037 20 0 HIADMN CN(Cc1ccc(-n2cncn2)c(F)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527364608 930649433 /nfs/dbraw/zinc/64/94/33/930649433.db2.gz HHZLTJLKHLJUKN-QGZVFWFLSA-N 0 1 417.282 4.125 20 0 HIADMN CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)cc2[nH]1 ZINC000530287281 930676191 /nfs/dbraw/zinc/67/61/91/930676191.db2.gz CXAWKHUMDJIWBM-QGZVFWFLSA-N 0 1 404.514 4.351 20 0 HIADMN O=C(CCCc1ccc(O)c(F)c1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000530324465 930684348 /nfs/dbraw/zinc/68/43/48/930684348.db2.gz RNPBWJCQOYJFOS-FQEVSTJZSA-N 0 1 404.913 4.461 20 0 HIADMN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1n[nH]nc1-c1ccccc1 ZINC000530434578 930707609 /nfs/dbraw/zinc/70/76/09/930707609.db2.gz IUNNJBHKVGVUOI-UHFFFAOYSA-N 0 1 401.451 4.271 20 0 HIADMN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530435356 930707789 /nfs/dbraw/zinc/70/77/89/930707789.db2.gz VWKFHSCQLRPZCX-DOXZYTNZSA-N 0 1 404.352 4.021 20 0 HIADMN NC(=O)c1cccc(CN[C@@H](Cc2ccccn2)c2ccc(Br)cc2)c1 ZINC000530492446 930724710 /nfs/dbraw/zinc/72/47/10/930724710.db2.gz ZEQFEFIUQZXOLZ-FQEVSTJZSA-N 0 1 410.315 4.017 20 0 HIADMN COC(=O)[C@@H]1CN(C(=O)c2cccc(CN(C)Cc3ccccc3)c2)c2ccccc21 ZINC000530553422 930746168 /nfs/dbraw/zinc/74/61/68/930746168.db2.gz PNLAIMWALURBOS-HSZRJFAPSA-N 0 1 414.505 4.236 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1-n1ccnc1)N1CCCCC1 ZINC000530569849 930753111 /nfs/dbraw/zinc/75/31/11/930753111.db2.gz ZATAIGOLSBBWKX-HSZRJFAPSA-N 0 1 418.541 4.146 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccccc1OCc1cscn1)c1ccc(Cl)cc1 ZINC000530589417 930760947 /nfs/dbraw/zinc/76/09/47/930760947.db2.gz BDHBIUCCUKKAMQ-LJQANCHMSA-N 0 1 415.946 4.408 20 0 HIADMN COC[C@H](Cc1ccccc1)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000530610049 930771694 /nfs/dbraw/zinc/77/16/94/930771694.db2.gz NPPASZRHXAKVPN-SFHVURJKSA-N 0 1 400.320 4.187 20 0 HIADMN CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)cc(Br)c3O)cnc21 ZINC000530656498 930788607 /nfs/dbraw/zinc/78/86/07/930788607.db2.gz HTDMJRQQWOCGCO-UHFFFAOYSA-N 0 1 409.671 4.386 20 0 HIADMN O=C(CCN1C(=O)CCc2ccccc21)Nc1cc(Cl)cc(Br)c1O ZINC000530656861 930789069 /nfs/dbraw/zinc/78/90/69/930789069.db2.gz PVSLMHPANMKWJE-UHFFFAOYSA-N 0 1 423.694 4.116 20 0 HIADMN C[C@@H]1c2ccccc2CCN1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000530663145 930790777 /nfs/dbraw/zinc/79/07/77/930790777.db2.gz OVMQHFBXYOAOJJ-XMSQKQJNSA-N 0 1 406.526 4.131 20 0 HIADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)N(CCc1ccccc1)C1CCCC1 ZINC000530679096 930796831 /nfs/dbraw/zinc/79/68/31/930796831.db2.gz QPKVDAXTJBITCO-UHFFFAOYSA-N 0 1 407.493 4.308 20 0 HIADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)N(CCc1ccccc1)C1CCCC1 ZINC000530679096 930796839 /nfs/dbraw/zinc/79/68/39/930796839.db2.gz QPKVDAXTJBITCO-UHFFFAOYSA-N 0 1 407.493 4.308 20 0 HIADMN CCOC(=O)c1nc(C)[nH]c1NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000530715503 930805897 /nfs/dbraw/zinc/80/58/97/930805897.db2.gz HYJQGMKZCNMWSW-UHFFFAOYSA-N 0 1 418.906 4.217 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(C)c(C(=O)N(C)C)c3)[nH]c2c1 ZINC000530721804 930807566 /nfs/dbraw/zinc/80/75/66/930807566.db2.gz IEOCLPHUOZJNIV-HXUWFJFHSA-N 0 1 405.502 4.251 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(F)cc3F)c2C1 ZINC000530746018 930814953 /nfs/dbraw/zinc/81/49/53/930814953.db2.gz ZRDKMKFNEDIYBP-HUUCEWRRSA-N 0 1 415.484 4.141 20 0 HIADMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCC(Cc2ccccc2F)CC1 ZINC000530802367 930827385 /nfs/dbraw/zinc/82/73/85/930827385.db2.gz MPLCBBZCWOUMLY-UHFFFAOYSA-N 0 1 412.574 4.469 20 0 HIADMN C[C@@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000530811804 930829803 /nfs/dbraw/zinc/82/98/03/930829803.db2.gz DFJJHIJIDPIBMR-JPYJTQIMSA-N 0 1 420.557 4.202 20 0 HIADMN Cc1cc(C)c(-c2csc(NC(=O)[C@]3(O)CCN(Cc4ccccc4)C3)n2)cc1C ZINC000530816478 930831206 /nfs/dbraw/zinc/83/12/06/930831206.db2.gz PXQWRGJUASBRAW-DEOSSOPVSA-N 0 1 421.566 4.311 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000530837231 930836320 /nfs/dbraw/zinc/83/63/20/930836320.db2.gz RDEYJKZEZDIXJA-HXUWFJFHSA-N 0 1 414.937 4.000 20 0 HIADMN CN(C)[C@H](CNC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000530840686 930837706 /nfs/dbraw/zinc/83/77/06/930837706.db2.gz FBTGTWHTONBZKX-GOSISDBHSA-N 0 1 411.880 4.386 20 0 HIADMN COc1cccc(C(NCc2ccc(-n3cncn3)cc2)c2cccc(OC)c2)c1 ZINC000530883687 930848016 /nfs/dbraw/zinc/84/80/16/930848016.db2.gz IDCIDPYIECEETR-UHFFFAOYSA-N 0 1 400.482 4.164 20 0 HIADMN O=C(Nc1cc(Cl)cc(Br)c1O)[C@H](c1ccccc1)n1cccn1 ZINC000530895587 930851802 /nfs/dbraw/zinc/85/18/02/930851802.db2.gz QKBMXVZVEWMOQL-HNNXBMFYSA-N 0 1 406.667 4.233 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCc3cccc(C)c32)c1 ZINC000530906349 930855226 /nfs/dbraw/zinc/85/52/26/930855226.db2.gz NXQRYTOBRWCVEN-UHFFFAOYSA-N 0 1 422.506 4.007 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccc(Cl)cc1 ZINC000530959235 930868470 /nfs/dbraw/zinc/86/84/70/930868470.db2.gz VYZAWQXYIIOQHM-LJQANCHMSA-N 0 1 410.905 4.300 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1ccccc1NCc1cccnc1)c1ccc(Cl)cc1 ZINC000530959604 930868790 /nfs/dbraw/zinc/86/87/90/930868790.db2.gz FBNGILMSBJMFJM-QFIPXVFZSA-N 0 1 408.933 4.380 20 0 HIADMN CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000530988233 930877514 /nfs/dbraw/zinc/87/75/14/930877514.db2.gz ODLPEIPLQKJLBD-UHFFFAOYSA-N 0 1 403.748 4.001 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C(C)(C)CC(C)C)c1 ZINC000530998870 930879782 /nfs/dbraw/zinc/87/97/82/930879782.db2.gz GLVKBJRVDKMGLS-UHFFFAOYSA-N 0 1 420.531 4.212 20 0 HIADMN Cc1ccc(CNCc2ccccc2OCc2cccnc2)c(N2CCOCC2)c1 ZINC000531009246 930883471 /nfs/dbraw/zinc/88/34/71/930883471.db2.gz AFOIWGFZWUAYDA-UHFFFAOYSA-N 0 1 403.526 4.095 20 0 HIADMN Cc1ccc2cccc(S(=O)(=O)Nc3cccc(OCc4cscn4)c3)c2n1 ZINC000531008930 930883653 /nfs/dbraw/zinc/88/36/53/930883653.db2.gz QWDMIFGTWOHMRN-UHFFFAOYSA-N 0 1 411.508 4.380 20 0 HIADMN Cc1ccc2cccc(S(=O)(=O)Nc3cccc(-c4cn5cccnc5n4)c3)c2n1 ZINC000531009638 930883761 /nfs/dbraw/zinc/88/37/61/930883761.db2.gz UYMMDONOTKVXQZ-UHFFFAOYSA-N 0 1 415.478 4.054 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCc2csc3ccccc23)c1 ZINC000531037286 930893003 /nfs/dbraw/zinc/89/30/03/930893003.db2.gz QEBUUONRNNRZCR-UHFFFAOYSA-N 0 1 403.525 4.362 20 0 HIADMN CN(C)[C@H](CNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(Cl)cc1 ZINC000531079203 930911269 /nfs/dbraw/zinc/91/12/69/930911269.db2.gz QVKPQBDGPHHEKT-OAQYLSRUSA-N 0 1 423.948 4.318 20 0 HIADMN CN(C)Cc1cc(CNC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)ccc1F ZINC000531084658 930914705 /nfs/dbraw/zinc/91/47/05/930914705.db2.gz QBUCWMYCBYPBGV-UHFFFAOYSA-N 0 1 415.900 4.107 20 0 HIADMN CSc1nc(C(C)C)nc(C)c1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000531097272 930918015 /nfs/dbraw/zinc/91/80/15/930918015.db2.gz HHGOVMQYOGGJOJ-MRXNPFEDSA-N 0 1 406.983 4.316 20 0 HIADMN CCc1nnc(-c2ccc(NC(=O)NC[C@H](c3ccc(Cl)cc3)N(C)C)cc2)o1 ZINC000531104628 930920805 /nfs/dbraw/zinc/92/08/05/930920805.db2.gz MWAGKTPYZPUIOH-GOSISDBHSA-N 0 1 413.909 4.377 20 0 HIADMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2csc(-c3ccccc3OC)n2)C1 ZINC000531105556 930922180 /nfs/dbraw/zinc/92/21/80/930922180.db2.gz XPQNKYXYXRVJEZ-DLBZAZTESA-N 0 1 401.576 4.336 20 0 HIADMN Cc1ccc(CN(C(=O)CN2CCC(OCCc3ccccc3)CC2)C2CC2)cc1 ZINC000531144618 930943709 /nfs/dbraw/zinc/94/37/09/930943709.db2.gz PXHLPMDJOFORFS-UHFFFAOYSA-N 0 1 406.570 4.210 20 0 HIADMN CCn1cnnc1-c1ccccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531183411 930955764 /nfs/dbraw/zinc/95/57/64/930955764.db2.gz KPFSJTREQCOYDA-IBGZPJMESA-N 0 1 412.925 4.043 20 0 HIADMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000531263293 930988272 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ZINC000438357486 863823277 /nfs/dbraw/zinc/82/32/77/863823277.db2.gz XUZYWVKCILWGDN-UHFFFAOYSA-N 0 1 420.513 4.288 20 0 HIADMN CC[C@H](C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438367367 863828600 /nfs/dbraw/zinc/82/86/00/863828600.db2.gz MQJVSLLFWKTFMP-KRWDZBQOSA-N 0 1 418.419 4.309 20 0 HIADMN CC[C@H](C(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000438367367 863828603 /nfs/dbraw/zinc/82/86/03/863828603.db2.gz MQJVSLLFWKTFMP-KRWDZBQOSA-N 0 1 418.419 4.309 20 0 HIADMN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000438373522 863833168 /nfs/dbraw/zinc/83/31/68/863833168.db2.gz NXBUZCJUJLMKOX-ISTRZQFTSA-N 0 1 420.344 4.434 20 0 HIADMN C[C@H]1CN(CCCNC(=O)Nc2ccnc(Oc3ccccc3Cl)c2)C[C@H](C)O1 ZINC000438396654 863845106 /nfs/dbraw/zinc/84/51/06/863845106.db2.gz LFKGTBKFCTWFNK-HOTGVXAUSA-N 0 1 418.925 4.148 20 0 HIADMN COc1ccc(Oc2ccc(NC(=O)NC[C@H](c3ccco3)N3CCCC3)cn2)cc1 ZINC000438407195 863852679 /nfs/dbraw/zinc/85/26/79/863852679.db2.gz HMEGGRZVDUUXCP-HXUWFJFHSA-N 0 1 422.485 4.434 20 0 HIADMN O=C(N[C@H]1C[C@H](c2ccccc2F)C1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000438420890 863858355 /nfs/dbraw/zinc/85/83/55/863858355.db2.gz SZJAHVHPMKFPHM-WGSAOQKQSA-N 0 1 419.504 4.446 20 0 HIADMN CCC(CC)n1ncc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1C ZINC000438437193 863865304 /nfs/dbraw/zinc/86/53/04/863865304.db2.gz HXRSFFIWYFHXPL-KRWDZBQOSA-N 0 1 420.439 4.209 20 0 HIADMN O=C(C[C@H]1CCc2ccccc2C1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438436665 863865311 /nfs/dbraw/zinc/86/53/11/863865311.db2.gz GGINVLBHLZBLSX-XOBRGWDASA-N 0 1 414.431 4.224 20 0 HIADMN C[C@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000438440828 863866977 /nfs/dbraw/zinc/86/69/77/863866977.db2.gz WFQZEZQMODUYOH-MEDUHNTESA-N 0 1 408.811 4.486 20 0 HIADMN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000438446110 863871563 /nfs/dbraw/zinc/87/15/63/863871563.db2.gz LNFSTNUUIZSZFG-IHPCNDPISA-N 0 1 405.477 4.404 20 0 HIADMN O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000438446110 863871569 /nfs/dbraw/zinc/87/15/69/863871569.db2.gz LNFSTNUUIZSZFG-IHPCNDPISA-N 0 1 405.477 4.404 20 0 HIADMN C[C@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000438449517 863874126 /nfs/dbraw/zinc/87/41/26/863874126.db2.gz SIWYSLBPLYVFDB-QFYYESIMSA-N 0 1 410.346 4.111 20 0 HIADMN COc1ccc(Oc2ccc(NC(=O)NC[C@@H](c3ccsc3)N(C)C)cn2)cc1 ZINC000438449931 863874945 /nfs/dbraw/zinc/87/49/45/863874945.db2.gz UNTMQJRECKQHPM-IBGZPJMESA-N 0 1 412.515 4.368 20 0 HIADMN CCOc1ccccc1CCC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438455684 863879857 /nfs/dbraw/zinc/87/98/57/863879857.db2.gz BBQSLXWULJSBBW-LJQANCHMSA-N 0 1 418.419 4.061 20 0 HIADMN O=C(C/C=C\c1cccc(F)c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438458153 863881949 /nfs/dbraw/zinc/88/19/49/863881949.db2.gz JTGXVPVLDJMMOI-XBNAYTBKSA-N 0 1 404.367 4.272 20 0 HIADMN COc1cccc(-c2ccc(CN[C@@H](C)c3cccc(S(=O)(=O)N(C)C)c3)cc2)c1 ZINC000467854466 881705112 /nfs/dbraw/zinc/70/51/12/881705112.db2.gz VJCDTSASMGLDDJ-SFHVURJKSA-N 0 1 424.566 4.463 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@@H]1CCCc2sccc21 ZINC000438462821 863885063 /nfs/dbraw/zinc/88/50/63/863885063.db2.gz RKDXMKXTMHCCIJ-ZBFHGGJFSA-N 0 1 406.433 4.211 20 0 HIADMN CCSc1cccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000438464409 863886466 /nfs/dbraw/zinc/88/64/66/863886466.db2.gz WLDTUQIHESNFAD-MRXNPFEDSA-N 0 1 406.433 4.455 20 0 HIADMN CC(C)c1nnc2ccc(NC(=O)c3cn[nH]c3-c3cccc(OC(F)F)c3)cn21 ZINC000438507839 863931346 /nfs/dbraw/zinc/93/13/46/863931346.db2.gz KNVBAEDKGXJANL-UHFFFAOYSA-N 0 1 412.400 4.097 20 0 HIADMN C[C@@H](CSCc1ccccc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000438543820 863971664 /nfs/dbraw/zinc/97/16/64/863971664.db2.gz GSBQQJJAILVMQO-SFHVURJKSA-N 0 1 400.563 4.476 20 0 HIADMN O=c1cc(CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)nc2ccccn12 ZINC000438543958 863972741 /nfs/dbraw/zinc/97/27/41/863972741.db2.gz COWDGKNQUBZPTD-MRXNPFEDSA-N 0 1 404.297 4.045 20 0 HIADMN Cc1cc2c(ncnc2N2CCN(Cc3c[nH]nc3-c3ccc(C)cc3)CC2)s1 ZINC000438548849 863977510 /nfs/dbraw/zinc/97/75/10/863977510.db2.gz XZVHJKPCZHOCBN-UHFFFAOYSA-N 0 1 404.543 4.020 20 0 HIADMN CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000438560697 863993364 /nfs/dbraw/zinc/99/33/64/863993364.db2.gz HLDDGDLCRXTJIV-VJVQGEDVSA-N 0 1 405.542 4.285 20 0 HIADMN CN(C)C(=O)c1cccc(NC(=O)CN2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000438560697 863993371 /nfs/dbraw/zinc/99/33/71/863993371.db2.gz HLDDGDLCRXTJIV-VJVQGEDVSA-N 0 1 405.542 4.285 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC(C)(C)Cc1ccccc1C ZINC000438648088 864087799 /nfs/dbraw/zinc/08/77/99/864087799.db2.gz IJLPHQYWEZBPLQ-UHFFFAOYSA-N 0 1 424.589 4.288 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000438650369 864090352 /nfs/dbraw/zinc/09/03/52/864090352.db2.gz QZOTYHJGNSPWQT-LJQANCHMSA-N 0 1 410.562 4.337 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@H](c2ccccc2C)C1 ZINC000438663688 864113682 /nfs/dbraw/zinc/11/36/82/864113682.db2.gz XFJMMRQRVKCRHM-FQEVSTJZSA-N 0 1 422.573 4.167 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1cccc2ccccc21 ZINC000438663437 864113898 /nfs/dbraw/zinc/11/38/98/864113898.db2.gz WNQIWOPVDXJNGR-UHFFFAOYSA-N 0 1 418.541 4.312 20 0 HIADMN Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1C(F)(F)F ZINC000438778413 864272347 /nfs/dbraw/zinc/27/23/47/864272347.db2.gz WZMNCULXJSVELM-UHFFFAOYSA-N 0 1 407.797 4.239 20 0 HIADMN Cc1c(F)cccc1NC(=O)CCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000438796216 864288351 /nfs/dbraw/zinc/28/83/51/864288351.db2.gz WBABUGSJZHKAQK-UHFFFAOYSA-N 0 1 423.454 4.299 20 0 HIADMN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000438806687 864298017 /nfs/dbraw/zinc/29/80/17/864298017.db2.gz QAFXFWXFUCOGTJ-UHFFFAOYSA-N 0 1 408.838 4.434 20 0 HIADMN COc1cccc(NC(=O)CCN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)c1 ZINC000438815430 864307079 /nfs/dbraw/zinc/30/70/79/864307079.db2.gz VDRUGKFELGQKRZ-KRWDZBQOSA-N 0 1 401.938 4.056 20 0 HIADMN Cc1cc(Br)c(S(=O)(=O)Nc2ccc(F)cc2)c(Br)c1 ZINC000438816160 864308940 /nfs/dbraw/zinc/30/89/40/864308940.db2.gz VTHOJDSNANYGMS-UHFFFAOYSA-N 0 1 423.101 4.460 20 0 HIADMN C[C@H](c1ccc(Br)cc1)N1CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000438818861 864311533 /nfs/dbraw/zinc/31/15/33/864311533.db2.gz KFQDFTGDTBPCTR-QGZVFWFLSA-N 0 1 416.363 4.157 20 0 HIADMN C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1c(F)cccc1Cl ZINC000438841631 864334160 /nfs/dbraw/zinc/33/41/60/864334160.db2.gz LYUVUXXIERNKNH-GJZGRUSLSA-N 0 1 404.917 4.460 20 0 HIADMN CC(C)COc1ccccc1CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000438854086 864348692 /nfs/dbraw/zinc/34/86/92/864348692.db2.gz VZJMMHPBBSGZJH-IBGZPJMESA-N 0 1 410.562 4.141 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000438860699 864354298 /nfs/dbraw/zinc/35/42/98/864354298.db2.gz RTPXMUCWIVWLKV-JKSUJKDBSA-N 0 1 415.607 4.421 20 0 HIADMN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000438861890 864356227 /nfs/dbraw/zinc/35/62/27/864356227.db2.gz SRYDGSIOSFXGTI-RBUKOAKNSA-N 0 1 412.603 4.297 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCCOc2ccccc2C(C)(C)C)CC1 ZINC000438869268 864362645 /nfs/dbraw/zinc/36/26/45/864362645.db2.gz YTYZYGOECCXUNK-LJQANCHMSA-N 0 1 424.589 4.283 20 0 HIADMN Cc1ccsc1CCCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000438910600 864390485 /nfs/dbraw/zinc/39/04/85/864390485.db2.gz HHJIMZJDZSJEIO-KRWDZBQOSA-N 0 1 403.567 4.148 20 0 HIADMN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1cccc2cn[nH]c21 ZINC000438939486 864415103 /nfs/dbraw/zinc/41/51/03/864415103.db2.gz YMWKIQZRXNGJOB-UHFFFAOYSA-N 0 1 410.886 4.460 20 0 HIADMN CC(C)Oc1cccc([C@@H](C)NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000438962085 864430233 /nfs/dbraw/zinc/43/02/33/864430233.db2.gz BTSLIKYHZAAKFB-RTBURBONSA-N 0 1 410.562 4.455 20 0 HIADMN CCCCOc1ccc(CCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438974201 864439978 /nfs/dbraw/zinc/43/99/78/864439978.db2.gz ZLBNSAUQINWNMF-FQEVSTJZSA-N 0 1 424.589 4.328 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(NC(C)=O)cc3OC)ccc2NC1=O ZINC000439003404 864456721 /nfs/dbraw/zinc/45/67/21/864456721.db2.gz RWEBJUMIMBXEHQ-CKNLXJGOSA-N 0 1 411.502 4.175 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000439085425 864533047 /nfs/dbraw/zinc/53/30/47/864533047.db2.gz OAOKILNEAZJLNY-MRXNPFEDSA-N 0 1 406.530 4.366 20 0 HIADMN O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000439160816 864592491 /nfs/dbraw/zinc/59/24/91/864592491.db2.gz AMSGYHINQOVNTR-ATIYNZHBSA-N 0 1 412.537 4.472 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cscc2C)ccc1C ZINC000439188282 864615890 /nfs/dbraw/zinc/61/58/90/864615890.db2.gz LDZBTHZWYAYBMP-UHFFFAOYSA-N 0 1 416.524 4.427 20 0 HIADMN Cc1ccccc1OCCCN(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439194057 864620936 /nfs/dbraw/zinc/62/09/36/864620936.db2.gz UMWVJLDLTZYAOP-HXUWFJFHSA-N 0 1 410.562 4.026 20 0 HIADMN COc1ccccc1[C@@H]1CCCN1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439198307 864622925 /nfs/dbraw/zinc/62/29/25/864622925.db2.gz CGOSTXCLYKLCSS-AVRDEDQJSA-N 0 1 408.546 4.162 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)CC1 ZINC000439204910 864629429 /nfs/dbraw/zinc/62/94/29/864629429.db2.gz RVWFKDJDLPUWHQ-WAOWUJCRSA-N 0 1 410.537 4.334 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000439204907 864629649 /nfs/dbraw/zinc/62/96/49/864629649.db2.gz RVWFKDJDLPUWHQ-DBXWQHBBSA-N 0 1 410.537 4.334 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)CC1 ZINC000439204908 864629749 /nfs/dbraw/zinc/62/97/49/864629749.db2.gz RVWFKDJDLPUWHQ-OPYAIIAOSA-N 0 1 410.537 4.334 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000439207007 864631588 /nfs/dbraw/zinc/63/15/88/864631588.db2.gz BDDPYYTVSCXSRY-INIZCTEOSA-N 0 1 420.479 4.467 20 0 HIADMN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)c(Br)c1 ZINC000439272484 864690451 /nfs/dbraw/zinc/69/04/51/864690451.db2.gz IPZDKFXIYFCVOI-LLVKDONJSA-N 0 1 419.254 4.088 20 0 HIADMN C[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000439287032 864709056 /nfs/dbraw/zinc/70/90/56/864709056.db2.gz UBLQLWSERKAAIX-LRDDRELGSA-N 0 1 414.391 4.314 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cc2Br)CC1 ZINC000439291308 864711080 /nfs/dbraw/zinc/71/10/80/864711080.db2.gz AFNYCQUQJNPDAI-CYBMUJFWSA-N 0 1 421.314 4.330 20 0 HIADMN COc1cc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(OC)cc1Cl ZINC000439294999 864720432 /nfs/dbraw/zinc/72/04/32/864720432.db2.gz KPSOIVGVEUGYFP-AWEZNQCLSA-N 0 1 418.925 4.099 20 0 HIADMN Cc1cc(C)n(-c2cccc(NC(=O)NC3CCN([C@H](C)c4ccncc4)CC3)c2)n1 ZINC000439307967 864736426 /nfs/dbraw/zinc/73/64/26/864736426.db2.gz ZBFRSBPSGRDRRZ-LJQANCHMSA-N 0 1 418.545 4.231 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c(Cl)c1 ZINC000439386245 864814175 /nfs/dbraw/zinc/81/41/75/864814175.db2.gz MKRSAWKEUQUKKG-CQSZACIVSA-N 0 1 415.925 4.041 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000439395717 864817878 /nfs/dbraw/zinc/81/78/78/864817878.db2.gz JVAAJNLGTTWDFH-ZDUSSCGKSA-N 0 1 408.424 4.169 20 0 HIADMN CC(C)OC(=O)c1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000439419950 864825616 /nfs/dbraw/zinc/82/56/16/864825616.db2.gz IDNPUDGAKHHWIC-SFHVURJKSA-N 0 1 418.419 4.268 20 0 HIADMN C[C@@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1nnc(-c2cccs2)o1 ZINC000439443056 864833492 /nfs/dbraw/zinc/83/34/92/864833492.db2.gz UDFCSFNADWFGIL-YGRLFVJLSA-N 0 1 420.420 4.375 20 0 HIADMN FC(F)(F)c1cccc([C@H](NCc2nnc(-c3ccccc3)s2)c2nnc[nH]2)c1 ZINC000439447515 864835124 /nfs/dbraw/zinc/83/51/24/864835124.db2.gz YYNJEJMEFTUGJM-INIZCTEOSA-N 0 1 416.432 4.221 20 0 HIADMN C[C@@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000439448949 864835874 /nfs/dbraw/zinc/83/58/74/864835874.db2.gz HJULLCAUNGCFTK-VGSWGCGISA-N 0 1 413.481 4.303 20 0 HIADMN C[C@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000439448947 864836053 /nfs/dbraw/zinc/83/60/53/864836053.db2.gz HJULLCAUNGCFTK-JTSKRJEESA-N 0 1 413.481 4.303 20 0 HIADMN Clc1ccc(OCc2cccnc2)c(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000439452156 864836518 /nfs/dbraw/zinc/83/65/18/864836518.db2.gz LYQZYYBGYGQHGL-OAQYLSRUSA-N 0 1 405.889 4.311 20 0 HIADMN C[C@H](N[C@@H](c1nnc[nH]1)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000439460335 864839949 /nfs/dbraw/zinc/83/99/49/864839949.db2.gz XKMDMHZZOCRNCJ-MEDUHNTESA-N 0 1 423.826 4.183 20 0 HIADMN COC(=O)[C@@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1Cl ZINC000439460315 864840253 /nfs/dbraw/zinc/84/02/53/864840253.db2.gz XUEGUIRMQVLWQR-HOTGVXAUSA-N 0 1 424.810 4.070 20 0 HIADMN CN(CCCOCc1ccccc1)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000439463571 864842116 /nfs/dbraw/zinc/84/21/16/864842116.db2.gz BMHOLHHRRJAHLW-UHFFFAOYSA-N 0 1 417.553 4.322 20 0 HIADMN CSc1ccc([C@@H](C)NCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000439475336 864844620 /nfs/dbraw/zinc/84/46/20/864844620.db2.gz OXDHPQBVWBZJST-QGZVFWFLSA-N 0 1 422.598 4.237 20 0 HIADMN CSCCCN(C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000439483727 864848492 /nfs/dbraw/zinc/84/84/92/864848492.db2.gz LNQUKGWWJDUITL-GOSISDBHSA-N 0 1 413.587 4.143 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)Nc2cc(F)ccc2Br)N2CCCC2)o1 ZINC000467937103 881809044 /nfs/dbraw/zinc/80/90/44/881809044.db2.gz FAYXFKZDJPYKCZ-MRXNPFEDSA-N 0 1 410.287 4.448 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1C(F)(F)F ZINC000439569339 864892071 /nfs/dbraw/zinc/89/20/71/864892071.db2.gz IBGKDZLNMOPRKZ-CVEARBPZSA-N 0 1 423.454 4.232 20 0 HIADMN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439572069 864894406 /nfs/dbraw/zinc/89/44/06/864894406.db2.gz QJEBFDVWDVQYKW-CQSZACIVSA-N 0 1 415.540 4.112 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1NC(=O)C(C)(C)C ZINC000439574658 864895451 /nfs/dbraw/zinc/89/54/51/864895451.db2.gz WIZFCDCGWHFRGG-UHFFFAOYSA-N 0 1 403.529 4.390 20 0 HIADMN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439574422 864895585 /nfs/dbraw/zinc/89/55/85/864895585.db2.gz QJWAORRUAQFDNT-UHFFFAOYSA-N 0 1 403.529 4.016 20 0 HIADMN COc1ccccc1O[C@H](C)CN[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000439637126 864965672 /nfs/dbraw/zinc/96/56/72/864965672.db2.gz FKGWPTAREKSOFP-NTKDMRAZSA-N 0 1 404.510 4.110 20 0 HIADMN O=C(NCc1ccccc1)[C@@H](NCCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000439659148 864986201 /nfs/dbraw/zinc/98/62/01/864986201.db2.gz RVJLVQMJCMCQEW-IBGZPJMESA-N 0 1 419.472 4.352 20 0 HIADMN COc1ccc(NC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)c(OCc2ccccc2)c1 ZINC000439694978 865031069 /nfs/dbraw/zinc/03/10/69/865031069.db2.gz PJAVLBWWGADGPX-OAHLLOKOSA-N 0 1 409.490 4.398 20 0 HIADMN COc1cc(Cl)c(Cl)cc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439735591 865068232 /nfs/dbraw/zinc/06/82/32/865068232.db2.gz SYYVSONWTWARGG-ZDUSSCGKSA-N 0 1 408.329 4.352 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000439741863 865074682 /nfs/dbraw/zinc/07/46/82/865074682.db2.gz FQKKRWSCQZOQNH-SFHVURJKSA-N 0 1 415.541 4.100 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCc1cc(C)sc1C ZINC000439748579 865079309 /nfs/dbraw/zinc/07/93/09/865079309.db2.gz UPJWPGYEYMYPDW-UHFFFAOYSA-N 0 1 415.603 4.477 20 0 HIADMN CC(C)c1noc(-c2ccccc2C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000439763484 865088595 /nfs/dbraw/zinc/08/85/95/865088595.db2.gz CXMVASWJERNFSF-KRWDZBQOSA-N 0 1 419.529 4.210 20 0 HIADMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(Br)s1 ZINC000439764367 865090703 /nfs/dbraw/zinc/09/07/03/865090703.db2.gz DYLKHDKITZAQNC-ZDUSSCGKSA-N 0 1 408.365 4.169 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000439768994 865094040 /nfs/dbraw/zinc/09/40/40/865094040.db2.gz NLPHQGSFHZXYKN-KRWDZBQOSA-N 0 1 419.504 4.315 20 0 HIADMN Cc1nc(-c2ccccc2)sc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439773419 865097126 /nfs/dbraw/zinc/09/71/26/865097126.db2.gz WUWFAGWLPIQCRJ-QGZVFWFLSA-N 0 1 406.555 4.469 20 0 HIADMN CC(=O)Nc1cccc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C ZINC000467995456 881840369 /nfs/dbraw/zinc/84/03/69/881840369.db2.gz RELJWOWZGPVBEB-KKSFZXQISA-N 0 1 417.912 4.169 20 0 HIADMN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc(CCC(C)C)no2)[C@H]2CCCC[C@@H]12 ZINC000439977987 865273348 /nfs/dbraw/zinc/27/33/48/865273348.db2.gz HWFWSABSOWIIAG-FSGKZVOOSA-N 0 1 404.599 4.342 20 0 HIADMN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000440073250 865339231 /nfs/dbraw/zinc/33/92/31/865339231.db2.gz DKJZFWSFQNFWQI-UHFFFAOYSA-N 0 1 420.840 4.027 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)NCc2cccc(-c3ccccn3)c2)N2CCCC2)o1 ZINC000440074713 865341873 /nfs/dbraw/zinc/34/18/73/865341873.db2.gz HKYTYBTWUBMMQV-JOCHJYFZSA-N 0 1 404.514 4.286 20 0 HIADMN O=C(NCc1cccc(-c2ccccn2)c1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000440092996 865354305 /nfs/dbraw/zinc/35/43/05/865354305.db2.gz GMQQHHOMTQCCEQ-UHFFFAOYSA-N 0 1 418.516 4.352 20 0 HIADMN CCCCO[C@@H]1C[C@@H](N(C)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1(C)C ZINC000440196106 865427779 /nfs/dbraw/zinc/42/77/79/865427779.db2.gz ZAENTVFJPHRCLZ-VLCRHTCISA-N 0 1 416.610 4.232 20 0 HIADMN COc1ccccc1Oc1ccc(NC(=O)CCSc2nnc(C)[nH]2)cc1F ZINC000468047230 881874106 /nfs/dbraw/zinc/87/41/06/881874106.db2.gz AMZMBWORGSVRJJ-UHFFFAOYSA-N 0 1 402.451 4.174 20 0 HIADMN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440279588 865529906 /nfs/dbraw/zinc/52/99/06/865529906.db2.gz GWCZMKJAFYJFAO-UHFFFAOYSA-N 0 1 402.903 4.352 20 0 HIADMN CC(=O)N1CCc2cc(NS(=O)(=O)c3c(Cl)ccc4ccccc43)ccc21 ZINC000440282297 865532684 /nfs/dbraw/zinc/53/26/84/865532684.db2.gz LMCMXWXXOSKVPI-UHFFFAOYSA-N 0 1 400.887 4.203 20 0 HIADMN COc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)cc1OCC(F)(F)F ZINC000440299754 865557481 /nfs/dbraw/zinc/55/74/81/865557481.db2.gz YRRZJPNAUJZRHB-UHFFFAOYSA-N 0 1 411.348 4.024 20 0 HIADMN CCNC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440302021 865561045 /nfs/dbraw/zinc/56/10/45/865561045.db2.gz IAWOEVPQFUKOJG-UHFFFAOYSA-N 0 1 403.891 4.435 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000440304867 865565349 /nfs/dbraw/zinc/56/53/49/865565349.db2.gz NDMOILUXWBSTFL-UHFFFAOYSA-N 0 1 400.269 4.232 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000440309851 865575362 /nfs/dbraw/zinc/57/53/62/865575362.db2.gz ZVYDBIACAVUHAO-UHFFFAOYSA-N 0 1 414.431 4.271 20 0 HIADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000440312163 865580540 /nfs/dbraw/zinc/58/05/40/865580540.db2.gz NMRZZKZBPYOLTL-AWEZNQCLSA-N 0 1 402.420 4.028 20 0 HIADMN Cc1ccccc1CCCN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000440335697 865615488 /nfs/dbraw/zinc/61/54/88/865615488.db2.gz VWXHMFAEDUROOG-UHFFFAOYSA-N 0 1 419.491 4.203 20 0 HIADMN OC[C@]1(NCc2cn(-c3ccccc3)nc2-c2ccccc2)CCOc2ccccc21 ZINC000440457940 865761044 /nfs/dbraw/zinc/76/10/44/865761044.db2.gz FWYRZOVRBIQLFV-AREMUKBSSA-N 0 1 411.505 4.299 20 0 HIADMN CSc1ccc(CN(C)C(=O)CN2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000440470888 865774619 /nfs/dbraw/zinc/77/46/19/865774619.db2.gz SNUAODUIALGXSU-UHFFFAOYSA-N 0 1 408.571 4.123 20 0 HIADMN C[C@@H](NC(=O)[C@H](C)N1CCC(CN2CCCCC2=O)CC1)c1ccc2ccccc2c1 ZINC000440496736 865795219 /nfs/dbraw/zinc/79/52/19/865795219.db2.gz SSJUOBUPDHSMAC-UXHICEINSA-N 0 1 421.585 4.130 20 0 HIADMN O[C@@H](COCc1ccccc1)CN1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000440497447 865796780 /nfs/dbraw/zinc/79/67/80/865796780.db2.gz VNGDZEMJXFXRSR-IFMALSPDSA-N 0 1 411.933 4.445 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000440534816 865808043 /nfs/dbraw/zinc/80/80/43/865808043.db2.gz USZCOXOAJZAPMK-UHFFFAOYSA-N 0 1 415.965 4.407 20 0 HIADMN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CNC2(C(N)=O)CCCCC2)cc1 ZINC000440550473 865816065 /nfs/dbraw/zinc/81/60/65/865816065.db2.gz NUIZFIQJLICGMZ-UHFFFAOYSA-N 0 1 415.921 4.157 20 0 HIADMN C[C@@](NCCc1cccc(OC(F)(F)F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000440552604 865816982 /nfs/dbraw/zinc/81/69/82/865816982.db2.gz FNGFUTUWOXUSBP-KRWDZBQOSA-N 0 1 420.353 4.137 20 0 HIADMN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccccc2SC)c(OC)c1 ZINC000440616654 865840591 /nfs/dbraw/zinc/84/05/91/865840591.db2.gz SFUYAVIZQROFHP-OXJNMPFZSA-N 0 1 414.571 4.440 20 0 HIADMN CCc1nnc(-c2cccc(NC(=O)c3ccc(CN4CCSCC4)cc3)c2)o1 ZINC000440617775 865841480 /nfs/dbraw/zinc/84/14/80/865841480.db2.gz XJRACCDUBUHACP-UHFFFAOYSA-N 0 1 408.527 4.100 20 0 HIADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1SC ZINC000440623322 865843949 /nfs/dbraw/zinc/84/39/49/865843949.db2.gz VRNYOQMQIUXNFJ-DLBZAZTESA-N 0 1 413.587 4.107 20 0 HIADMN Cc1ccc(Oc2ccccc2)c(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000440625146 865845077 /nfs/dbraw/zinc/84/50/77/865845077.db2.gz NRYHIQJELBKTQE-UHFFFAOYSA-N 0 1 402.454 4.334 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)c3ccc(-c4csc(C)n4)cc3)n2)c(OC)c1 ZINC000440716163 865873352 /nfs/dbraw/zinc/87/33/52/865873352.db2.gz PLXAKJMJLJFFER-UHFFFAOYSA-N 0 1 421.482 4.173 20 0 HIADMN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1)NC1CC1 ZINC000440729231 865877781 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415.303 4.356 20 0 HIADMN O=C(Cc1noc(-c2cc(Cl)c3ccccc3c2O)n1)NCc1cccc(F)c1 ZINC000445757546 869804515 /nfs/dbraw/zinc/80/45/15/869804515.db2.gz GRACSPCEGPBRDR-UHFFFAOYSA-N 0 1 411.820 4.247 20 0 HIADMN Fc1cc(Br)cc(OCCN2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000445790598 869826082 /nfs/dbraw/zinc/82/60/82/869826082.db2.gz NMBBDCAPWLRIOG-UHFFFAOYSA-N 0 1 410.287 4.107 20 0 HIADMN c1ncn(Cc2ccccc2)c1CN1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000445806102 869832842 /nfs/dbraw/zinc/83/28/42/869832842.db2.gz RSDAGVDLWPRUQD-NRFANRHFSA-N 0 1 404.562 4.477 20 0 HIADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCOc1cc(F)cc(Br)c1 ZINC000445808597 869833741 /nfs/dbraw/zinc/83/37/41/869833741.db2.gz SGIFQFSNAIPUGD-YEBMWUKDSA-N 0 1 414.340 4.397 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)Cc3ccc(Cl)c(F)c3)CCN2C2CC2)c1 ZINC000468411150 882354409 /nfs/dbraw/zinc/35/44/09/882354409.db2.gz GKJBFCXNZALPFP-IFMALSPDSA-N 0 1 402.897 4.124 20 0 HIADMN CC(C)OCCN1CCC(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000445924527 869891026 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HIADMN Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc(Nc4ccncc4)cc3)cc2)n1 ZINC000468422690 882364541 /nfs/dbraw/zinc/36/45/41/882364541.db2.gz BWGUQSXZKIJXEN-UHFFFAOYSA-N 0 1 411.509 4.022 20 0 HIADMN O=C(CNC(=O)c1ccccc1C(F)(F)F)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000446123042 870069171 /nfs/dbraw/zinc/06/91/71/870069171.db2.gz TYPXKMPKGYNKNC-UHFFFAOYSA-N 0 1 416.403 4.218 20 0 HIADMN O=C(NCCN1CCCOCC1)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000446144299 870086177 /nfs/dbraw/zinc/08/61/77/870086177.db2.gz HQUSSPXJWGBALR-UHFFFAOYSA-N 0 1 424.476 4.010 20 0 HIADMN Cc1nc(CC(C)C)c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)s1 ZINC000446146714 870088509 /nfs/dbraw/zinc/08/85/09/870088509.db2.gz XAVJLAACOGVGAY-UHFFFAOYSA-N 0 1 409.559 4.455 20 0 HIADMN Cn1cc(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c(C(F)(F)F)n1 ZINC000446259254 870199590 /nfs/dbraw/zinc/19/95/90/870199590.db2.gz UYZYYTIJDSUVJZ-HNNXBMFYSA-N 0 1 415.847 4.051 20 0 HIADMN CN1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(F)c(F)c2)[C@H]1c1cccs1 ZINC000446271639 870207275 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CCOc1ccc(C(=O)CCC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000473506682 888234088 /nfs/dbraw/zinc/23/40/88/888234088.db2.gz MURZTZFYTUEKDD-OAQYLSRUSA-N 0 1 412.505 4.141 20 0 HIADMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccccc3F)n2)cc1Br ZINC000473514768 888244827 /nfs/dbraw/zinc/24/48/27/888244827.db2.gz XTCNYUJTUXJWDT-UHFFFAOYSA-N 0 1 422.279 4.357 20 0 HIADMN CCCc1c(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)[nH]c(C)c1C(C)=O ZINC000473521418 888256726 /nfs/dbraw/zinc/25/67/26/888256726.db2.gz JWJKIJIOALFBKI-UHFFFAOYSA-N 0 1 413.484 4.013 20 0 HIADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000473526786 888263683 /nfs/dbraw/zinc/26/36/83/888263683.db2.gz CSVSHRXTWVYKBC-PFUSGODGSA-N 0 1 401.919 4.301 20 0 HIADMN COc1ccc(-c2n[nH]c(SCc3noc(C(C)C)n3)n2)cc1Br ZINC000473527932 888265104 /nfs/dbraw/zinc/26/51/04/888265104.db2.gz SVKCZMOYLOGTCK-UHFFFAOYSA-N 0 1 410.297 4.042 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000473606124 888348873 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CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)[C@@H](C)c2cccnc2)CC1 ZINC000479886576 895231952 /nfs/dbraw/zinc/23/19/52/895231952.db2.gz FFWLCCPXVBKJFS-INIZCTEOSA-N 0 1 401.942 4.102 20 0 HIADMN CCc1[nH]ccc1C(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000505290223 913948081 /nfs/dbraw/zinc/94/80/81/913948081.db2.gz OJAVCIRLQKHUGP-UHFFFAOYSA-N 0 1 402.542 4.147 20 0 HIADMN Cc1onc(-c2ccncc2)c1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000479912858 895260678 /nfs/dbraw/zinc/26/06/78/895260678.db2.gz KGVTXFPIFONEDN-UHFFFAOYSA-N 0 1 410.905 4.093 20 0 HIADMN COc1cc2c(cc1F)nccc2N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000479943424 895296516 /nfs/dbraw/zinc/29/65/16/895296516.db2.gz SFQHLJCCWPURTM-UHFFFAOYSA-N 0 1 417.843 4.137 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n[nH]1 ZINC000479949066 895304258 /nfs/dbraw/zinc/30/42/58/895304258.db2.gz WZHQPZXGZJUZEY-MRVPVSSYSA-N 0 1 405.218 4.252 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c(C)c1 ZINC000505299991 913960061 /nfs/dbraw/zinc/96/00/61/913960061.db2.gz NJNIXXUWUVOLND-UHFFFAOYSA-N 0 1 411.405 4.009 20 0 HIADMN COCCOc1ccc([C@H](C)NCc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000479987090 895340471 /nfs/dbraw/zinc/34/04/71/895340471.db2.gz TYJGVEQBMMPEQM-KRWDZBQOSA-N 0 1 409.530 4.374 20 0 HIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000480036050 895384816 /nfs/dbraw/zinc/38/48/16/895384816.db2.gz AEIHPHPTEHODAT-UONOGXRCSA-N 0 1 407.367 4.063 20 0 HIADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480042153 895390507 /nfs/dbraw/zinc/39/05/07/895390507.db2.gz ZIEVBIMUZLCMCQ-MSOLQXFVSA-N 0 1 401.576 4.495 20 0 HIADMN CC(C)(C)Cc1nc(-c2cccc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)c2)no1 ZINC000480065982 895415949 /nfs/dbraw/zinc/41/59/49/895415949.db2.gz LDJBRNYUIIFJIA-UHFFFAOYSA-N 0 1 421.476 4.313 20 0 HIADMN CC[C@H](C)n1ncc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1C ZINC000480175366 895566597 /nfs/dbraw/zinc/56/65/97/895566597.db2.gz CRBJODMWHDWJEG-INIZCTEOSA-N 0 1 402.970 4.458 20 0 HIADMN CC(C)c1c(NS(=O)(=O)c2ccc3c(c2)CCO3)cnn1-c1ccc(Cl)cc1 ZINC000480203691 895605375 /nfs/dbraw/zinc/60/53/75/895605375.db2.gz WHBWNDWSYACZPK-UHFFFAOYSA-N 0 1 417.918 4.385 20 0 HIADMN CCc1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cnn1-c1cccc(C)c1 ZINC000480217488 895621276 /nfs/dbraw/zinc/62/12/76/895621276.db2.gz ADYNGOXRKIKFNA-UHFFFAOYSA-N 0 1 405.907 4.206 20 0 HIADMN CCc1nc(CCN[C@@H](c2ccc(Br)cc2)c2cncnc2)sc1C ZINC000480222617 895627141 /nfs/dbraw/zinc/62/71/41/895627141.db2.gz JLTQWQOOGZXOHM-IBGZPJMESA-N 0 1 417.376 4.488 20 0 HIADMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n1 ZINC000480240262 895648857 /nfs/dbraw/zinc/64/88/57/895648857.db2.gz KDEQKSPMUFIDTC-UHFFFAOYSA-N 0 1 409.433 4.395 20 0 HIADMN Cc1c([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241298 895650992 /nfs/dbraw/zinc/65/09/92/895650992.db2.gz OHNSMGHBILRVGL-AQNXPRMDSA-N 0 1 419.573 4.036 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c(F)c1 ZINC000480243903 895653454 /nfs/dbraw/zinc/65/34/54/895653454.db2.gz FTTOLNKOGBUSNV-UHFFFAOYSA-N 0 1 424.837 4.134 20 0 HIADMN Brc1cccc2c1OCCC[C@H]2NCc1ccnc(N2CCCC2)c1 ZINC000480300977 895705452 /nfs/dbraw/zinc/70/54/52/895705452.db2.gz MOBYFQRHKMJJBJ-GOSISDBHSA-N 0 1 402.336 4.448 20 0 HIADMN CCCCCOc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000480302604 895707846 /nfs/dbraw/zinc/70/78/46/895707846.db2.gz UVWMYOUOVPHYSS-GOSISDBHSA-N 0 1 404.576 4.357 20 0 HIADMN COc1cccc([C@@H](CNC(=O)N(C)Cc2c(Cl)cccc2Cl)N(C)C)c1 ZINC000480344042 895750523 /nfs/dbraw/zinc/75/05/23/895750523.db2.gz AVMVZTFMUPZSSX-LJQANCHMSA-N 0 1 410.345 4.446 20 0 HIADMN FC(F)(F)c1cnc(N2CC[C@H](NCc3ccc(Br)o3)C2)c(Cl)c1 ZINC000480355304 895760371 /nfs/dbraw/zinc/76/03/71/895760371.db2.gz QVZJRBHFWMROHH-JTQLQIEISA-N 0 1 424.648 4.478 20 0 HIADMN COCCN(C)c1ccc(CN[C@H](c2ccc(C)cc2)c2ccc(OC)cc2)cn1 ZINC000480357388 895763162 /nfs/dbraw/zinc/76/31/62/895763162.db2.gz ORXKLJTVGXVULJ-RUZDIDTESA-N 0 1 405.542 4.360 20 0 HIADMN C[C@@H](NCc1ccc(COCC(F)(F)F)cc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000480360135 895765941 /nfs/dbraw/zinc/76/59/41/895765941.db2.gz VIZKCOIUIULCGZ-CYBMUJFWSA-N 0 1 419.440 4.159 20 0 HIADMN COc1ccccc1N1CC[C@@H](NCc2cc(Br)c(Cl)s2)C1=O ZINC000480388355 895795284 /nfs/dbraw/zinc/79/52/84/895795284.db2.gz HTNOFZGCTGIXNW-GFCCVEGCSA-N 0 1 415.740 4.068 20 0 HIADMN Clc1sc(CNCc2ccccc2N2CCOCC2)cc1Br ZINC000480393489 895799159 /nfs/dbraw/zinc/79/91/59/895799159.db2.gz FKTJDDFGNICQCK-UHFFFAOYSA-N 0 1 401.757 4.290 20 0 HIADMN COC(=O)c1csc(-c2cccc(CNCc3cc(OC)cc4c3O[C@H](C)C4)c2)n1 ZINC000480457120 895843783 /nfs/dbraw/zinc/84/37/83/895843783.db2.gz WUOFZFHASISGPC-CQSZACIVSA-N 0 1 424.522 4.219 20 0 HIADMN CC(C)CN1CCO[C@@H](CNC(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)C1 ZINC000480464459 895848436 /nfs/dbraw/zinc/84/84/36/895848436.db2.gz WEWQODLHMKXCKO-CTNGQTDRSA-N 0 1 415.603 4.378 20 0 HIADMN COc1cc(OC)c([C@@H](C)N[C@H](CN2CCOCC2)c2ccccc2)cc1Cl ZINC000480466218 895849236 /nfs/dbraw/zinc/84/92/36/895849236.db2.gz FBNRVIZLTVVJDV-OXQOHEQNSA-N 0 1 404.938 4.081 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cccc(OCc4cccnc4)c3)[nH]n2)cc1 ZINC000480488614 895862332 /nfs/dbraw/zinc/86/23/32/895862332.db2.gz RZNXLMLWNGAUHO-UHFFFAOYSA-N 0 1 400.438 4.312 20 0 HIADMN CN(C)[C@H](CNC(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccc(F)cc1 ZINC000480515499 895881590 /nfs/dbraw/zinc/88/15/90/895881590.db2.gz YNGBFYGLEFAUSN-LJQANCHMSA-N 0 1 418.310 4.031 20 0 HIADMN C[C@@H](NCc1cccnc1OCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480525617 895888825 /nfs/dbraw/zinc/88/88/25/895888825.db2.gz MAELJFLJIFLWSQ-CYBMUJFWSA-N 0 1 408.424 4.157 20 0 HIADMN Fc1ccc(-c2nc3c(s2)[C@@H](NCc2cccnc2N2CCOCC2)CCC3)cc1 ZINC000480527370 895890304 /nfs/dbraw/zinc/89/03/04/895890304.db2.gz LQHNXTBCMWPOTF-IBGZPJMESA-N 0 1 424.545 4.348 20 0 HIADMN C[C@H](NCc1cccnc1N1CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000480537408 895901004 /nfs/dbraw/zinc/90/10/04/895901004.db2.gz PHOYPNGYCDCBGG-FQEVSTJZSA-N 0 1 403.526 4.348 20 0 HIADMN CCOc1c(Cl)cccc1CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000480550406 895910429 /nfs/dbraw/zinc/91/04/29/895910429.db2.gz HWXCUUVQWFWURL-GOSISDBHSA-N 0 1 424.932 4.473 20 0 HIADMN Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1C(C)C ZINC000480550681 895911986 /nfs/dbraw/zinc/91/19/86/895911986.db2.gz MFNGYMXZHJVCIY-SFHVURJKSA-N 0 1 418.545 4.319 20 0 HIADMN CCNC(=O)c1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000480601414 895964712 /nfs/dbraw/zinc/96/47/12/895964712.db2.gz PLLFNEZPOSLTDD-GOSISDBHSA-N 0 1 403.320 4.202 20 0 HIADMN CCc1c(C(=O)NCc2ccc(CN(C)C)c(F)c2)cnn1-c1ccccc1Cl ZINC000480607287 895973365 /nfs/dbraw/zinc/97/33/65/895973365.db2.gz AXORAUFNDLQPJQ-UHFFFAOYSA-N 0 1 414.912 4.219 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)n[nH]1 ZINC000480621428 895990025 /nfs/dbraw/zinc/99/00/25/895990025.db2.gz UGZLVPDYHNQBOT-CYBMUJFWSA-N 0 1 400.914 4.382 20 0 HIADMN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000480622559 895991567 /nfs/dbraw/zinc/99/15/67/895991567.db2.gz VOYZEGRBDNTNPF-SNVBAGLBSA-N 0 1 407.396 4.401 20 0 HIADMN CC[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccccc1Br ZINC000480629695 895997243 /nfs/dbraw/zinc/99/72/43/895997243.db2.gz FQJYNHJJTXCMJX-BEFAXECRSA-N 0 1 404.352 4.310 20 0 HIADMN C[C@@H](N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000480629802 895997723 /nfs/dbraw/zinc/99/77/23/895997723.db2.gz GEJOJLXYBJLDBU-KDOFPFPSSA-N 0 1 420.431 4.448 20 0 HIADMN CCN(C)c1ccc(CNCc2ccc(Oc3c(OC)cccc3OC)nc2)cn1 ZINC000480632715 896002348 /nfs/dbraw/zinc/00/23/48/896002348.db2.gz CAHDJGZDUCSNBJ-UHFFFAOYSA-N 0 1 408.502 4.032 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)n[nH]1 ZINC000480637476 896006902 /nfs/dbraw/zinc/00/69/02/896006902.db2.gz GPKRGWYJSBHCFC-CQSZACIVSA-N 0 1 424.526 4.393 20 0 HIADMN Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000480690557 896052226 /nfs/dbraw/zinc/05/22/26/896052226.db2.gz APNRYWVEHSVGAG-ZDUSSCGKSA-N 0 1 411.568 4.105 20 0 HIADMN CCNC(=O)COc1ccc(CN[C@@H](C)c2ccc(-c3ccccc3)o2)cc1OC ZINC000480692264 896054241 /nfs/dbraw/zinc/05/42/41/896054241.db2.gz HVIGAYDKGNNOJE-KRWDZBQOSA-N 0 1 408.498 4.321 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000480703525 896065377 /nfs/dbraw/zinc/06/53/77/896065377.db2.gz ZVLQUJVDZSYRMK-SJORKVTESA-N 0 1 422.978 4.126 20 0 HIADMN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000480707724 896068290 /nfs/dbraw/zinc/06/82/90/896068290.db2.gz KHFORVHKBCPKJI-PGRDOPGGSA-N 0 1 408.546 4.231 20 0 HIADMN COc1cccc(C[C@H](NCc2cccc(N3CCOCC3)n2)c2ccccc2)c1 ZINC000480721302 896081081 /nfs/dbraw/zinc/08/10/81/896081081.db2.gz LWWJDIQXSPSBOZ-DEOSSOPVSA-N 0 1 403.526 4.000 20 0 HIADMN CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000480727227 896089058 /nfs/dbraw/zinc/08/90/58/896089058.db2.gz JTJGLPUKJJOZGG-AWEZNQCLSA-N 0 1 405.336 4.448 20 0 HIADMN CC(C)CN(C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1)C1CCCC1 ZINC000480730396 896089682 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O=C(CCN1CCc2c(ncn2-c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000481223596 896574619 /nfs/dbraw/zinc/57/46/19/896574619.db2.gz FOJHEYABOUQPRJ-UHFFFAOYSA-N 0 1 414.431 4.278 20 0 HIADMN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000481289220 896635093 /nfs/dbraw/zinc/63/50/93/896635093.db2.gz RGDCEAMCYVRIIQ-QFIPXVFZSA-N 0 1 415.497 4.432 20 0 HIADMN CCN(Cc1c(F)cccc1F)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000481289103 896635195 /nfs/dbraw/zinc/63/51/95/896635195.db2.gz RWYDKEJKTYZJJG-UHFFFAOYSA-N 0 1 402.470 4.199 20 0 HIADMN Cc1nc(C)c([C@@H](C)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)s1 ZINC000481302034 896646868 /nfs/dbraw/zinc/64/68/68/896646868.db2.gz BVPOSPKEKVHVER-HUUCEWRRSA-N 0 1 407.605 4.031 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000481310114 896658631 /nfs/dbraw/zinc/65/86/31/896658631.db2.gz PVFBNVDUTHEAPN-VWLOTQADSA-N 0 1 420.332 4.160 20 0 HIADMN Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000481317293 896667145 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Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000481428788 896829983 /nfs/dbraw/zinc/82/99/83/896829983.db2.gz VFXMISZGZYEWHE-GOSISDBHSA-N 0 1 402.564 4.466 20 0 HIADMN CCOCc1ccccc1CNC(=O)CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481440454 896839206 /nfs/dbraw/zinc/83/92/06/896839206.db2.gz USLPNDDXQRWRKF-HSZRJFAPSA-N 0 1 409.574 4.270 20 0 HIADMN CCOc1ccc(CN(C)C(=O)CN[C@@H](C)[C@H](OC)c2ccccc2Cl)cc1 ZINC000481458668 896852416 /nfs/dbraw/zinc/85/24/16/896852416.db2.gz IXNRHLZNTOXYMG-AOMKIAJQSA-N 0 1 404.938 4.063 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)N3CC4(CCOCC4)c4ccccc43)[nH]2)c1 ZINC000481468235 896858855 /nfs/dbraw/zinc/85/88/55/896858855.db2.gz RROOHFJXFYSWRB-UHFFFAOYSA-N 0 1 403.482 4.102 20 0 HIADMN Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000481479874 896864319 /nfs/dbraw/zinc/86/43/19/896864319.db2.gz RIRXHMACVKQUJZ-UHFFFAOYSA-N 0 1 405.502 4.354 20 0 HIADMN Cn1ncc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1-n1cccc1 ZINC000481544486 896904998 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Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(-c5cncnc5)cc4F)C3)[nH]c2c1 ZINC000481676589 897058250 /nfs/dbraw/zinc/05/82/50/897058250.db2.gz XTQBOVYEJQBDSA-QGZVFWFLSA-N 0 1 415.472 4.487 20 0 HIADMN COC(=O)c1ccc(COc2ccc(CN3CCC[C@@H]3c3ccc[nH]3)cc2OC)o1 ZINC000481692902 897079489 /nfs/dbraw/zinc/07/94/89/897079489.db2.gz HSIVLBJECMTBAC-LJQANCHMSA-N 0 1 410.470 4.319 20 0 HIADMN NC(=O)[C@H](N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc(Br)cc1F ZINC000481701011 897090066 /nfs/dbraw/zinc/09/00/66/897090066.db2.gz ZECHRDOGPQBFCA-HNJNHCNJSA-N 0 1 409.274 4.180 20 0 HIADMN CCCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000481740622 897135260 /nfs/dbraw/zinc/13/52/60/897135260.db2.gz NACNZPRNCLQALB-YADHBBJMSA-N 0 1 416.610 4.194 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCCc3c[nH]c4ccccc34)n2)cc1 ZINC000481758657 897147933 /nfs/dbraw/zinc/14/79/33/897147933.db2.gz VADUADYHAQCPEO-UHFFFAOYSA-N 0 1 405.527 4.103 20 0 HIADMN CNC(=O)C[C@H](NCc1ccc(OC(F)F)c(Br)c1)c1ccccc1 ZINC000481827109 897197079 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400.906 4.065 20 0 HIADMN COc1ccc([C@H](C)CC(=O)N[C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000482021471 897426928 /nfs/dbraw/zinc/42/69/28/897426928.db2.gz TZUKFFCJDUQCRE-WSNNEZGNSA-N 0 1 408.542 4.292 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)CCc3ccc4[nH]ccc4c3)CCN2C2CC2)c1 ZINC000482039660 897456884 /nfs/dbraw/zinc/45/68/84/897456884.db2.gz JXVKPXDMKFBUHG-UKILVPOCSA-N 0 1 403.526 4.203 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(F)c3F)CCN2C2CC2)c1 ZINC000482049002 897472682 /nfs/dbraw/zinc/47/26/82/897472682.db2.gz ZGFVAMVCWSIOJX-KLJZETAQSA-N 0 1 412.480 4.171 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)c3ccccc3OC)CCN2C2CC2)c1 ZINC000482049122 897474613 /nfs/dbraw/zinc/47/46/13/897474613.db2.gz ZRPDHQLOXXUULT-GMAHTHKFSA-N 0 1 408.542 4.076 20 0 HIADMN CCOCCC1(C(=O)N[C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)CCCC1 ZINC000482082841 897521306 /nfs/dbraw/zinc/52/13/06/897521306.db2.gz YWNCDFRSBGBDLO-FGZHOGPDSA-N 0 1 400.563 4.076 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@@H](c4ccc(F)cc4)C[C@@H]3C)n2)cc1 ZINC000482086070 897526697 /nfs/dbraw/zinc/52/66/97/897526697.db2.gz BXNYWFQKHHGDLZ-YJBOKZPZSA-N 0 1 410.518 4.416 20 0 HIADMN C[C@]1(c2ccc(CN[C@@H]3CCCc4c(Cl)sc(Cl)c43)cc2)NC(=O)NC1=O ZINC000482091302 897534177 /nfs/dbraw/zinc/53/41/77/897534177.db2.gz UWSBIUDZZJQDDH-BFUOFWGJSA-N 0 1 424.353 4.277 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000482098773 897543420 /nfs/dbraw/zinc/54/34/20/897543420.db2.gz FFNHOUGKZJLNQT-BEFAXECRSA-N 0 1 422.495 4.294 20 0 HIADMN COc1ccc2ccccc2c1-c1cc(CNC(=O)Cc2[nH]nc3ccccc32)on1 ZINC000482098875 897543898 /nfs/dbraw/zinc/54/38/98/897543898.db2.gz GCYDAVMTNUSHNM-UHFFFAOYSA-N 0 1 412.449 4.239 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)c3csc(Br)c3)CCN2C2CC2)c1 ZINC000482107551 897556860 /nfs/dbraw/zinc/55/68/60/897556860.db2.gz WTNXDNYDFOCBIE-AEFFLSMTSA-N 0 1 421.360 4.227 20 0 HIADMN C[C@@H](NCCC(=O)N1CCN(c2ccccc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000482114370 897564336 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Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000482152654 897616083 /nfs/dbraw/zinc/61/60/83/897616083.db2.gz RUJPWGFTZIRDRH-QFIPXVFZSA-N 0 1 422.960 4.206 20 0 HIADMN COc1ccc2c(c1)CCN2C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000482199824 897676529 /nfs/dbraw/zinc/67/65/29/897676529.db2.gz LQHHKTMQENSLQG-QFIPXVFZSA-N 0 1 409.530 4.003 20 0 HIADMN COC(=O)c1ccc(-c2ccc(CNCc3ccc(Cn4ccnc4)cc3)o2)cc1 ZINC000482209962 897689876 /nfs/dbraw/zinc/68/98/76/897689876.db2.gz MPAAGTGZJAXIOL-UHFFFAOYSA-N 0 1 401.466 4.268 20 0 HIADMN Cn1cc(-c2ncc(C(=O)Nc3ccc4nc(-c5ccc(F)cc5)[nH]c4c3)s2)cn1 ZINC000482211982 897692888 /nfs/dbraw/zinc/69/28/88/897692888.db2.gz PFRFWTMPOCCIMZ-UHFFFAOYSA-N 0 1 418.457 4.478 20 0 HIADMN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000482232638 897712917 /nfs/dbraw/zinc/71/29/17/897712917.db2.gz BFVRKUIHNPUYNQ-ZIAGYGMSSA-N 0 1 409.621 4.411 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000482280635 897772071 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418.472 4.411 20 0 HIADMN C[C@@H](NCc1cccc(CO)c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000482538872 898126693 /nfs/dbraw/zinc/12/66/93/898126693.db2.gz QNSWGCCKGICIFQ-GOSISDBHSA-N 0 1 416.587 4.031 20 0 HIADMN CC(C)(C)n1cc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cn1 ZINC000482546531 898135145 /nfs/dbraw/zinc/13/51/45/898135145.db2.gz CXHSTICIOXQSKY-UHFFFAOYSA-N 0 1 418.589 4.010 20 0 HIADMN CN(C)[C@@H](CNC(=O)NCCc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000482572196 898167430 /nfs/dbraw/zinc/16/74/30/898167430.db2.gz ALPQSSUOCWMIOC-FQEVSTJZSA-N 0 1 412.534 4.094 20 0 HIADMN CCc1nn(C)c(CC)c1CNc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F ZINC000482624095 898227680 /nfs/dbraw/zinc/22/76/80/898227680.db2.gz OSKVHPUVOLJURZ-INIZCTEOSA-N 0 1 415.557 4.109 20 0 HIADMN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1)c1cccc(F)c1 ZINC000482635912 898238558 /nfs/dbraw/zinc/23/85/58/898238558.db2.gz VBBVIEXLDNSTCF-VQTJNVASSA-N 0 1 423.891 4.004 20 0 HIADMN CC(C)(C)c1nn(Cc2ccccc2)cc1CNCc1cccc(C(=O)NC2CC2)c1 ZINC000482646733 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/nfs/dbraw/zinc/16/82/75/912168275.db2.gz AUVGKGMDOKPVPW-MRXNPFEDSA-N 0 1 403.408 4.145 20 0 HIADMN Clc1ccc(-n2cc(CN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)nn2)cc1 ZINC000503201034 912180099 /nfs/dbraw/zinc/18/00/99/912180099.db2.gz YKOHLXKRZCEQME-LJQANCHMSA-N 0 1 405.893 4.043 20 0 HIADMN Clc1ccc(-n2cc(CN3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)nn2)cc1 ZINC000503201034 912180117 /nfs/dbraw/zinc/18/01/17/912180117.db2.gz YKOHLXKRZCEQME-LJQANCHMSA-N 0 1 405.893 4.043 20 0 HIADMN Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000503200910 912180544 /nfs/dbraw/zinc/18/05/44/912180544.db2.gz NVWDMMZCQPUDNT-GGAORHGYSA-N 0 1 415.541 4.185 20 0 HIADMN Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C2CC2)cc1 ZINC000503200910 912180551 /nfs/dbraw/zinc/18/05/51/912180551.db2.gz NVWDMMZCQPUDNT-GGAORHGYSA-N 0 1 415.541 4.185 20 0 HIADMN CSc1cccc([C@H](NC[C@H]2CCCS(=O)(=O)C2)c2ccc(F)c(F)c2)c1 ZINC000506280149 914881016 /nfs/dbraw/zinc/88/10/16/914881016.db2.gz MNTLPXSAJXERRA-VLIAUNLRSA-N 0 1 411.539 4.191 20 0 HIADMN O=C(Nc1ccc(CN[C@H](Cc2ccccn2)c2cccnc2)cc1)c1cccnc1 ZINC000513354652 921734167 /nfs/dbraw/zinc/73/41/67/921734167.db2.gz XKINAJBQUYZHNG-XMMPIXPASA-N 0 1 409.493 4.198 20 0 HIADMN Cc1ccc([C@H](CNC(=O)c2cc3c(cccc3Br)[nH]2)N2CCCC2)o1 ZINC000506357678 914978751 /nfs/dbraw/zinc/97/87/51/914978751.db2.gz JFPQXXMXNHXHMG-SFHVURJKSA-N 0 1 416.319 4.399 20 0 HIADMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000506360919 914984219 /nfs/dbraw/zinc/98/42/19/914984219.db2.gz AEBQEYZPSUHSSA-UZLBHIALSA-N 0 1 409.534 4.179 20 0 HIADMN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506361455 914985020 /nfs/dbraw/zinc/98/50/20/914985020.db2.gz HSYGEYBEFCRMBT-ACJLOTCBSA-N 0 1 403.313 4.390 20 0 HIADMN Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506376761 915001155 /nfs/dbraw/zinc/00/11/55/915001155.db2.gz HZGRNLSLTNPKNA-SFHVURJKSA-N 0 1 403.511 4.259 20 0 HIADMN C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506378361 915003461 /nfs/dbraw/zinc/00/34/61/915003461.db2.gz IZLIMFPRWMMQIZ-YWZLYKJASA-N 0 1 420.900 4.479 20 0 HIADMN Cc1ccc(CN[C@H](Cc2ccccn2)c2cccnc2)c(OC[C@H]2CCOC2)c1 ZINC000513361088 921737803 /nfs/dbraw/zinc/73/78/03/921737803.db2.gz WXVNLVHUBYIBDL-GBXCKJPGSA-N 0 1 403.526 4.274 20 0 HIADMN O=C(CCCCc1nc2ccccc2s1)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506385736 915004594 /nfs/dbraw/zinc/00/45/94/915004594.db2.gz ZXJYUSDFOYXCNL-SFHVURJKSA-N 0 1 405.527 4.227 20 0 HIADMN Cc1cc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)c(OC(F)F)cc1C ZINC000506398783 915014645 /nfs/dbraw/zinc/01/46/45/915014645.db2.gz RJGDXLIEPNNINC-UHFFFAOYSA-N 0 1 406.448 4.438 20 0 HIADMN Cc1cc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc(C)c1OC(F)F ZINC000506444357 915045337 /nfs/dbraw/zinc/04/53/37/915045337.db2.gz OUFNLSHCXJKAOE-UHFFFAOYSA-N 0 1 406.448 4.392 20 0 HIADMN Cc1cc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)cc(C)c1OC(F)F ZINC000506444357 915045358 /nfs/dbraw/zinc/04/53/58/915045358.db2.gz OUFNLSHCXJKAOE-UHFFFAOYSA-N 0 1 406.448 4.392 20 0 HIADMN Cc1ccc([C@H](CNC(=O)c2ccccc2OCc2c(C)noc2C)N2CCCC2)o1 ZINC000506450938 915050419 /nfs/dbraw/zinc/05/04/19/915050419.db2.gz NXDJEVUXPJJHJT-NRFANRHFSA-N 0 1 423.513 4.339 20 0 HIADMN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000506456179 915054417 /nfs/dbraw/zinc/05/44/17/915054417.db2.gz PIFSSKWOMUGXAR-UHFFFAOYSA-N 0 1 422.859 4.335 20 0 HIADMN Cc1ccc([C@H](CNC(=O)c2cccc(NC(=O)c3cccs3)c2)N2CCCC2)o1 ZINC000506463249 915061234 /nfs/dbraw/zinc/06/12/34/915061234.db2.gz LHAUPHCHGZVXNZ-IBGZPJMESA-N 0 1 423.538 4.469 20 0 HIADMN CCOC[C@@H]1CCCN(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000506477537 915080218 /nfs/dbraw/zinc/08/02/18/915080218.db2.gz CBNNZNWLDPFYOX-JPYJTQIMSA-N 0 1 400.950 4.294 20 0 HIADMN CN(C)Cc1cc(CNC(=O)c2csc(Cc3cccc(F)c3)n2)ccc1F ZINC000506481686 915086035 /nfs/dbraw/zinc/08/60/35/915086035.db2.gz QMIWUPBBBHFNKT-UHFFFAOYSA-N 0 1 401.482 4.004 20 0 HIADMN CCc1ccc([C@@H]2CCCN([C@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)C2)cc1 ZINC000513375394 921750265 /nfs/dbraw/zinc/75/02/65/921750265.db2.gz IOCXMYDBXCPLFU-DYESRHJHSA-N 0 1 423.557 4.423 20 0 HIADMN Cc1cccc(C(=O)N2CCCN(Cc3ccc(OCc4cccnc4)cc3)CC2)c1 ZINC000506561211 915209526 /nfs/dbraw/zinc/20/95/26/915209526.db2.gz LGNOFZSXGVZFEK-UHFFFAOYSA-N 0 1 415.537 4.317 20 0 HIADMN CC(=O)N(Cc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1)C1CC1 ZINC000506647009 915317267 /nfs/dbraw/zinc/31/72/67/915317267.db2.gz FHMDXZVTPAGTFA-UHFFFAOYSA-N 0 1 400.525 4.213 20 0 HIADMN COc1ccc(NS(=O)(=O)c2ccoc2)cc1OCc1ccc2ccccc2n1 ZINC000506661955 915336983 /nfs/dbraw/zinc/33/69/83/915336983.db2.gz KIHUHWYMOJXIDE-UHFFFAOYSA-N 0 1 410.451 4.216 20 0 HIADMN COC(=O)C1(c2ccccc2)CCN(Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000506661861 915337786 /nfs/dbraw/zinc/33/77/86/915337786.db2.gz PIRZYMVBPXTFKB-UHFFFAOYSA-N 0 1 423.944 4.447 20 0 HIADMN Cc1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1Br ZINC000506675255 915350976 /nfs/dbraw/zinc/35/09/76/915350976.db2.gz OLXJKVFXQHXGGT-KRWDZBQOSA-N 0 1 403.368 4.455 20 0 HIADMN Cc1ccc(CN(CCc2ccccc2)Cc2c(C)nn(C)c2N2CCOCC2)s1 ZINC000506730359 915415860 /nfs/dbraw/zinc/41/58/60/915415860.db2.gz MUBQCSNOQCOHDC-UHFFFAOYSA-N 0 1 424.614 4.180 20 0 HIADMN COCCOc1ccc(CN2CCC[C@H]2c2ccc(OC)cc2OC)cc1OC ZINC000506732432 915416126 /nfs/dbraw/zinc/41/61/26/915416126.db2.gz WYKUBIUBEHRMIS-FQEVSTJZSA-N 0 1 401.503 4.075 20 0 HIADMN CN(CCOc1ccc(Br)cc1)Cc1ccc(Br)cn1 ZINC000506757449 915456492 /nfs/dbraw/zinc/45/64/92/915456492.db2.gz GPRGKQKSXFPZRV-UHFFFAOYSA-N 0 1 400.114 4.117 20 0 HIADMN CN(Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@@H]1COc2ccccc2O1 ZINC000506776738 915495973 /nfs/dbraw/zinc/49/59/73/915495973.db2.gz NTVLLIDSRXSSAG-JOCHJYFZSA-N 0 1 412.493 4.206 20 0 HIADMN CCOc1cc(CN(C)Cc2cccc(Cl)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000506791516 915520415 /nfs/dbraw/zinc/52/04/15/915520415.db2.gz VWDAZFFLHKDVSA-MRXNPFEDSA-N 0 1 404.938 4.226 20 0 HIADMN C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000506849028 915629277 /nfs/dbraw/zinc/62/92/77/915629277.db2.gz OTHINYKKAKARIO-OWOPXTPDSA-N 0 1 424.303 4.021 20 0 HIADMN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCSCC3)cc2)c2ccccn2)cc1 ZINC000506911779 915711997 /nfs/dbraw/zinc/71/19/97/915711997.db2.gz ROUQRUQXUHTAJY-XMMPIXPASA-N 0 1 417.578 4.458 20 0 HIADMN Cc1ccc2nc(COc3ccc(C(=O)Nc4ncc(C(F)(F)F)[nH]4)cc3)cn2c1 ZINC000506914071 915714385 /nfs/dbraw/zinc/71/43/85/915714385.db2.gz VPRAACTUIFYXQS-UHFFFAOYSA-N 0 1 415.375 4.216 20 0 HIADMN C[C@@H](NC(=O)[C@@H](C)N1CCN(CCc2cccs2)CC1)c1cccc2ccccc21 ZINC000513424781 921793224 /nfs/dbraw/zinc/79/32/24/921793224.db2.gz KGAVUJJJAKQQRE-WOJBJXKFSA-N 0 1 421.610 4.327 20 0 HIADMN COc1ccc(COCc2cccc(NS(=O)(=O)c3cncc(Cl)c3)c2)cc1 ZINC000507005774 915817643 /nfs/dbraw/zinc/81/76/43/915817643.db2.gz AUTJZRDXJKLQEN-UHFFFAOYSA-N 0 1 418.902 4.261 20 0 HIADMN CC(C)[C@H](Oc1ccccc1Br)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000507026816 915828936 /nfs/dbraw/zinc/82/89/36/915828936.db2.gz HSSLIHILRSZLPT-LBPRGKRZSA-N 0 1 406.202 4.233 20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCN(C4CCC4)CC3)s2)cc1 ZINC000507062447 915847395 /nfs/dbraw/zinc/84/73/95/915847395.db2.gz UNZUWDNUFSXTOW-INIZCTEOSA-N 0 1 414.575 4.068 20 0 HIADMN O=C(NCCc1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000507138949 915884698 /nfs/dbraw/zinc/88/46/98/915884698.db2.gz NKQBZRKZZSZUGA-UHFFFAOYSA-N 0 1 408.477 4.473 20 0 HIADMN Cc1cccc(NC(=O)NC(=O)CN(C)CCCc2cc(-c3ccccc3)no2)c1C ZINC000507163460 915901372 /nfs/dbraw/zinc/90/13/72/915901372.db2.gz GIFAVGVFENNIPF-UHFFFAOYSA-N 0 1 420.513 4.171 20 0 HIADMN CCOc1cc(CN2CCC[C@@H]2c2ccsc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000507169294 915910861 /nfs/dbraw/zinc/91/08/61/915910861.db2.gz IFFGREHJHCTLNF-VQIMIIECSA-N 0 1 402.560 4.339 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(F)cc1 ZINC000507170990 915914479 /nfs/dbraw/zinc/91/44/79/915914479.db2.gz RJOLSUCIZIHSPF-IBGZPJMESA-N 0 1 420.410 4.063 20 0 HIADMN COc1ccccc1[C@H](C)NC(=O)CN(C)CCCc1cc(-c2ccccc2)no1 ZINC000507185537 915933254 /nfs/dbraw/zinc/93/32/54/915933254.db2.gz YRLUZSKSGDUHRN-SFHVURJKSA-N 0 1 407.514 4.092 20 0 HIADMN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@H](c3ccccc3C)C2)c1 ZINC000507204819 915956306 /nfs/dbraw/zinc/95/63/06/915956306.db2.gz LKOJXQPXNHOHKL-TZIWHRDSSA-N 0 1 407.558 4.294 20 0 HIADMN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507280484 916047327 /nfs/dbraw/zinc/04/73/27/916047327.db2.gz QSQITFKXYYQPSJ-ROUUACIJSA-N 0 1 423.532 4.233 20 0 HIADMN CN(CCc1cccc2ccccc21)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000507283378 916050516 /nfs/dbraw/zinc/05/05/16/916050516.db2.gz YAUDUOYNKHIMHL-DEOSSOPVSA-N 0 1 406.501 4.053 20 0 HIADMN CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507285111 916052395 /nfs/dbraw/zinc/05/23/95/916052395.db2.gz MSOMDYBRNCYAOF-QFIPXVFZSA-N 0 1 411.521 4.086 20 0 HIADMN CCN(C(=O)CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1cccc2ccccc21 ZINC000507323796 916083173 /nfs/dbraw/zinc/08/31/73/916083173.db2.gz FQOMWWUZVSWOIU-IBGZPJMESA-N 0 1 409.574 4.065 20 0 HIADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(SC)cc1 ZINC000507463474 916229948 /nfs/dbraw/zinc/22/99/48/916229948.db2.gz UBSJEMZXPWBVKE-ZIAGYGMSSA-N 0 1 401.532 4.053 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3/C=C/c3ccccc3)n[nH]2)cc1OC ZINC000507524703 916285263 /nfs/dbraw/zinc/28/52/63/916285263.db2.gz FBMYXNWGMBYHAP-RDELFYGPSA-N 0 1 403.482 4.412 20 0 HIADMN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c1Br ZINC000507569433 916324283 /nfs/dbraw/zinc/32/42/83/916324283.db2.gz WAQJFCKRINDNIB-UHFFFAOYSA-N 0 1 424.316 4.302 20 0 HIADMN COc1ccc2cc([C@H](C)C(=O)N3CCC(CCCN4CCOCC4)CC3)ccc2c1 ZINC000507658096 916421285 /nfs/dbraw/zinc/42/12/85/916421285.db2.gz HQEGIVYBICKDOY-FQEVSTJZSA-N 0 1 424.585 4.303 20 0 HIADMN COCc1ncc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)s1 ZINC000507673982 916441883 /nfs/dbraw/zinc/44/18/83/916441883.db2.gz QUVGIRBPABRZRO-UHFFFAOYSA-N 0 1 400.410 4.363 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COc1cccc(COC[C@@H](O)CN(C)[C@H](C)c2ccccc2Br)c1 ZINC000532780729 931629490 /nfs/dbraw/zinc/62/94/90/931629490.db2.gz ORWCCTIFZBPVKV-WBVHZDCISA-N 0 1 408.336 4.028 20 0 HIADMN O=C(CN1CCC[C@H](COc2ccccc2Cl)C1)N1CCc2sccc2C1 ZINC000532825689 931642988 /nfs/dbraw/zinc/64/29/88/931642988.db2.gz RNENAEMIWWPILS-INIZCTEOSA-N 0 1 404.963 4.077 20 0 HIADMN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000532838610 931649449 /nfs/dbraw/zinc/64/94/49/931649449.db2.gz UIHYSORUORIADR-HTAPYJJXSA-N 0 1 415.965 4.455 20 0 HIADMN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1 ZINC000532845811 931656822 /nfs/dbraw/zinc/65/68/22/931656822.db2.gz QMUILNSNWYDZHL-UHFFFAOYSA-N 0 1 409.511 4.031 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CNCc2cccc(-c3cccnc3)c2)s1 ZINC000532870057 931674103 /nfs/dbraw/zinc/67/41/03/931674103.db2.gz MBQIUPYVJALEOT-UHFFFAOYSA-N 0 1 415.584 4.130 20 0 HIADMN COc1cc2c(c(OC)c1OC)CCN(Cc1ccccc1Br)CC2 ZINC000532878265 931677146 /nfs/dbraw/zinc/67/71/46/931677146.db2.gz 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0 HIADMN COc1ccccc1[C@H](CNC(=O)N1CC=C(C(F)(F)F)CC1)N1CCCCC1 ZINC000533846711 932059165 /nfs/dbraw/zinc/05/91/65/932059165.db2.gz UMZGGTUHLVZYJU-SFHVURJKSA-N 0 1 411.468 4.126 20 0 HIADMN C[C@H]1Cc2cc(-c3ccc(CNC(=O)N4CCC(c5cnc[nH]5)CC4)cc3)ccc2O1 ZINC000533865641 932070567 /nfs/dbraw/zinc/07/05/67/932070567.db2.gz UUJYWJRFEQQRNZ-KRWDZBQOSA-N 0 1 416.525 4.489 20 0 HIADMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccnc(N2CCCC2)n1 ZINC000533870891 932072853 /nfs/dbraw/zinc/07/28/53/932072853.db2.gz ZFNCFYIPSPOBCO-UHFFFAOYSA-N 0 1 420.423 4.151 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000533970363 932146790 /nfs/dbraw/zinc/14/67/90/932146790.db2.gz CWVWYWSISLNUPI-SFHVURJKSA-N 0 1 401.413 4.376 20 0 HIADMN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000533969969 932147571 /nfs/dbraw/zinc/14/75/71/932147571.db2.gz YNYKOKVUHLBCPE-GOSISDBHSA-N 0 1 400.429 4.343 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc(I)c1 ZINC000533973727 932151197 /nfs/dbraw/zinc/15/11/97/932151197.db2.gz VLBPAMATUFJBBU-UHFFFAOYSA-N 0 1 413.165 4.357 20 0 HIADMN O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000533993798 932171709 /nfs/dbraw/zinc/17/17/09/932171709.db2.gz DQYPNVHIIVYRCD-OAHLLOKOSA-N 0 1 406.820 4.233 20 0 HIADMN CC(=O)CCc1ccc2oc(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)c(C)c2c1 ZINC000534019494 932201653 /nfs/dbraw/zinc/20/16/53/932201653.db2.gz QZXGKDCNQIZFKY-GGAORHGYSA-N 0 1 404.510 4.438 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCO2)N1CCCC1 ZINC000534025725 932206312 /nfs/dbraw/zinc/20/63/12/932206312.db2.gz JZIHMOKHXJUQHO-KRWDZBQOSA-N 0 1 417.893 4.036 20 0 HIADMN Clc1cc(Br)cc2c1CC[C@@H]2NCc1cccnc1N1CCOCC1 ZINC000534059025 932237915 /nfs/dbraw/zinc/23/79/15/932237915.db2.gz JIEIXAFRSMFOGD-SFHVURJKSA-N 0 1 422.754 4.111 20 0 HIADMN C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000534081556 932260662 /nfs/dbraw/zinc/26/06/62/932260662.db2.gz LSXDBULOMPPNGE-QGZVFWFLSA-N 0 1 407.489 4.329 20 0 HIADMN COc1ccc2c(c1)OC[C@@H]2CC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000534081162 932260782 /nfs/dbraw/zinc/26/07/82/932260782.db2.gz CJXQZSWIZNPFCZ-SJORKVTESA-N 0 1 405.498 4.152 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cnc(-c2cccnc2)s1 ZINC000534152242 932304244 /nfs/dbraw/zinc/30/42/44/932304244.db2.gz HUQUCQIAOWDYGQ-UHFFFAOYSA-N 0 1 400.261 4.096 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1 ZINC000534168525 932313082 /nfs/dbraw/zinc/31/30/82/932313082.db2.gz ZKLGTUAPQMWGAS-OAQYLSRUSA-N 0 1 421.541 4.257 20 0 HIADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)NC1CCC(F)(F)CC1 ZINC000534176837 932316950 /nfs/dbraw/zinc/31/69/50/932316950.db2.gz ILEHKPTYODSESH-MRXNPFEDSA-N 0 1 405.411 4.157 20 0 HIADMN CC(C)=CCSc1ccccc1C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534183239 932319811 /nfs/dbraw/zinc/31/98/11/932319811.db2.gz YSAJUGHDWBACLL-NHCUHLMSSA-N 0 1 410.583 4.110 20 0 HIADMN O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000534199640 932327864 /nfs/dbraw/zinc/32/78/64/932327864.db2.gz RCYOVVOXPQOJDP-UHFFFAOYSA-N 0 1 400.429 4.370 20 0 HIADMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([C@H]2CCOC2)c1 ZINC000534205693 932330635 /nfs/dbraw/zinc/33/06/35/932330635.db2.gz UMEMITQGYSGWPB-FPOVZHCZSA-N 0 1 418.459 4.214 20 0 HIADMN Cc1noc(C)c1[C@H](C)CNC(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534206718 932332060 /nfs/dbraw/zinc/33/20/60/932332060.db2.gz AIIUHGCJSZAPAR-ADYAMRHXSA-N 0 1 422.932 4.180 20 0 HIADMN CN(C)Cc1ccc(CN[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1F ZINC000534212926 932335299 /nfs/dbraw/zinc/33/52/99/932335299.db2.gz TVEZZRWFGOZQMQ-DEOSSOPVSA-N 0 1 405.517 4.035 20 0 HIADMN CCSCC[C@H](C)NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534223981 932343421 /nfs/dbraw/zinc/34/34/21/932343421.db2.gz CMBFLQVAOOXQMV-YEWWUXTCSA-N 0 1 401.979 4.303 20 0 HIADMN CCCCn1ncc(C(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C ZINC000534225298 932344781 /nfs/dbraw/zinc/34/47/81/932344781.db2.gz DJNKAHJWIBGYAH-UZLBHIALSA-N 0 1 406.933 4.207 20 0 HIADMN COc1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc(OC)c1C ZINC000534226212 932345591 /nfs/dbraw/zinc/34/55/91/932345591.db2.gz PZDVAHPNESSDOR-BTYIYWSLSA-N 0 1 420.912 4.228 20 0 HIADMN CN1CC[C@@H](CNC(=O)Cc2ccc3c(c2)CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534228901 932348551 /nfs/dbraw/zinc/34/85/51/932348551.db2.gz HUUNFXWGHUFFIC-WMZHIEFXSA-N 0 1 400.925 4.320 20 0 HIADMN CN1CC[C@H](CNC(=O)CCc2cccc(F)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534231561 932352596 /nfs/dbraw/zinc/35/25/96/932352596.db2.gz PAQPZGKNEABTBA-QVKFZJNVSA-N 0 1 410.867 4.499 20 0 HIADMN CN1CC[C@@H](CNC(=O)COc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534233807 932354043 /nfs/dbraw/zinc/35/40/43/932354043.db2.gz KALDYJMEMOAUSP-VBKZILBWSA-N 0 1 411.304 4.321 20 0 HIADMN COc1ccc(CCNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000534236577 932356092 /nfs/dbraw/zinc/35/60/92/932356092.db2.gz ZCYDTDOIBMMPHU-UWJYYQICSA-N 0 1 419.928 4.022 20 0 HIADMN COc1cc(CNC(=O)NC[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C ZINC000534236870 932357353 /nfs/dbraw/zinc/35/73/53/932357353.db2.gz WZFDEJZXAPADMG-UWJYYQICSA-N 0 1 419.928 4.288 20 0 HIADMN CN(C)Cc1ccc(CNCc2nc(-c3cccc(Br)c3)c[nH]2)cc1F ZINC000534242042 932360483 /nfs/dbraw/zinc/36/04/83/932360483.db2.gz XAQCQDYGMHVNPP-UHFFFAOYSA-N 0 1 417.326 4.330 20 0 HIADMN CN1CC[C@H](CNC(=O)CCc2nc3ccccc3o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534244150 932362243 /nfs/dbraw/zinc/36/22/43/932362243.db2.gz OVGYMJSXBXDMQP-QRQCRPRQSA-N 0 1 415.896 4.362 20 0 HIADMN CCO[C@H](CC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1=CCCC1 ZINC000534260063 932369938 /nfs/dbraw/zinc/36/99/38/932369938.db2.gz QEAVXRHUXJOYLH-ZNLUXHQJSA-N 0 1 408.945 4.494 20 0 HIADMN COc1ccc([C@H](CNC(=O)CSc2ccccc2OC)N2CCCCC2)cc1 ZINC000534261158 932370697 /nfs/dbraw/zinc/37/06/97/932370697.db2.gz GHKYWNICKXWWSY-FQEVSTJZSA-N 0 1 414.571 4.139 20 0 HIADMN COc1ccccc1C1(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534265075 932372391 /nfs/dbraw/zinc/37/23/91/932372391.db2.gz LPLZXRXCDCZWDM-IIBYNOLFSA-N 0 1 416.924 4.329 20 0 HIADMN COCC(=O)Nc1cccc(CNCc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000534301806 932379115 /nfs/dbraw/zinc/37/91/15/932379115.db2.gz YUAUCJCHZIIAJI-UHFFFAOYSA-N 0 1 408.473 4.279 20 0 HIADMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc4nc(N(C)C)ccc4c3)[nH]2)c1 ZINC000534389309 932413701 /nfs/dbraw/zinc/41/37/01/932413701.db2.gz YZUWZAUFHHZGFA-UHFFFAOYSA-N 0 1 401.470 4.260 20 0 HIADMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000534468128 932487717 /nfs/dbraw/zinc/48/77/17/932487717.db2.gz SNBBYUJCWBDTHK-GOSISDBHSA-N 0 1 414.619 4.156 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2cccc(C)c2Br)N2CCCC2)cc1 ZINC000534495682 932531542 /nfs/dbraw/zinc/53/15/42/932531542.db2.gz LNNRLNUYARGPBR-IBGZPJMESA-N 0 1 417.347 4.333 20 0 HIADMN CNC(=O)c1cccc(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)c1C ZINC000534508428 932538491 /nfs/dbraw/zinc/53/84/91/932538491.db2.gz LZIOQCJSRFFQOW-UHFFFAOYSA-N 0 1 416.403 4.324 20 0 HIADMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000534555284 932562163 /nfs/dbraw/zinc/56/21/63/932562163.db2.gz DSOXRWANAKWQOA-UHFFFAOYSA-N 0 1 417.313 4.415 20 0 HIADMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000534560974 932564922 /nfs/dbraw/zinc/56/49/22/932564922.db2.gz OYYRIZNILTWTPM-UHFFFAOYSA-N 0 1 412.375 4.237 20 0 HIADMN C[C@H]1Cc2cc(-c3ccc(CNC(=O)N[C@@H]4CCCc5cn[nH]c54)cc3)ccc2O1 ZINC000534573272 932574044 /nfs/dbraw/zinc/57/40/44/932574044.db2.gz ZNWMNZZTAIPZTQ-YCRPNKLZSA-N 0 1 402.498 4.277 20 0 HIADMN O=C(CCC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1ccc2c(c1)CCC2 ZINC000534586820 932578265 /nfs/dbraw/zinc/57/82/65/932578265.db2.gz AYLIEGTZRYNVJG-NRFANRHFSA-N 0 1 414.509 4.287 20 0 HIADMN O=C(CCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)CCC2 ZINC000534586820 932578273 /nfs/dbraw/zinc/57/82/73/932578273.db2.gz AYLIEGTZRYNVJG-NRFANRHFSA-N 0 1 414.509 4.287 20 0 HIADMN COc1ccc2c(CC(=O)N3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)coc2c1 ZINC000534585270 932578718 /nfs/dbraw/zinc/57/87/18/932578718.db2.gz RHLJMGHZNZSJLT-IBGZPJMESA-N 0 1 402.454 4.133 20 0 HIADMN COc1ccc2c(CC(=O)N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)coc2c1 ZINC000534585270 932578723 /nfs/dbraw/zinc/57/87/23/932578723.db2.gz RHLJMGHZNZSJLT-IBGZPJMESA-N 0 1 402.454 4.133 20 0 HIADMN C/C=C/c1ccc(OCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(OC)c1 ZINC000534588147 932579852 /nfs/dbraw/zinc/57/98/52/932579852.db2.gz YYYGEOYKGOXHPK-FOZGUINQSA-N 0 1 418.497 4.256 20 0 HIADMN C/C=C/c1ccc(OCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(OC)c1 ZINC000534588147 932579859 /nfs/dbraw/zinc/57/98/59/932579859.db2.gz YYYGEOYKGOXHPK-FOZGUINQSA-N 0 1 418.497 4.256 20 0 HIADMN CC(C)c1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000534612529 932596392 /nfs/dbraw/zinc/59/63/92/932596392.db2.gz VGNTYFADCZQHSR-QHCPKHFHSA-N 0 1 421.589 4.004 20 0 HIADMN CC(C)c1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000534612528 932596781 /nfs/dbraw/zinc/59/67/81/932596781.db2.gz VGNTYFADCZQHSR-HSZRJFAPSA-N 0 1 421.589 4.004 20 0 HIADMN O=S(=O)(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000534674043 932643833 /nfs/dbraw/zinc/64/38/33/932643833.db2.gz GPONJZQVKCPSND-UHFFFAOYSA-N 0 1 409.311 4.459 20 0 HIADMN CN1C(=O)C[C@@H](C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H]1c1cccc(Cl)c1 ZINC000534704209 932675399 /nfs/dbraw/zinc/67/53/99/932675399.db2.gz DKDHVFQWJQDRFN-DYVFJYSZSA-N 0 1 418.831 4.312 20 0 HIADMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000534752502 932728363 /nfs/dbraw/zinc/72/83/63/932728363.db2.gz CLYSLQCKDJMJOI-GGAORHGYSA-N 0 1 422.960 4.377 20 0 HIADMN COc1ccccc1COc1cccc(NC(=O)CCSc2nnc(C)[nH]2)c1C ZINC000534757899 932735953 /nfs/dbraw/zinc/73/59/53/932735953.db2.gz FBJXMDPRBPQBOB-UHFFFAOYSA-N 0 1 412.515 4.130 20 0 HIADMN CC[C@@H](C)n1ncc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1C1CC1 ZINC000534796567 932776492 /nfs/dbraw/zinc/77/64/92/932776492.db2.gz SKRBPLDFQLUPBY-VGOFRKELSA-N 0 1 410.562 4.307 20 0 HIADMN Cc1ccc(-c2ccsc2C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000534837545 932801828 /nfs/dbraw/zinc/80/18/28/932801828.db2.gz NSQXYWOTRRJQQT-LEWJYISDSA-N 0 1 406.551 4.089 20 0 HIADMN O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(NC2CCC(F)(F)CC2)nc1 ZINC000534882776 932821665 /nfs/dbraw/zinc/82/16/65/932821665.db2.gz JPKWAPPGHJXFMB-UHFFFAOYSA-N 0 1 403.401 4.150 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000534943320 932850259 /nfs/dbraw/zinc/85/02/59/932850259.db2.gz RZBQEHUIGVCYMJ-UHFFFAOYSA-N 0 1 400.692 4.296 20 0 HIADMN O=C(Nc1cccc(O)c1F)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000534946159 932851818 /nfs/dbraw/zinc/85/18/18/932851818.db2.gz MKNJLEAFGRIULS-UHFFFAOYSA-N 0 1 420.849 4.238 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)n[nH]1 ZINC000534959915 932860006 /nfs/dbraw/zinc/86/00/06/932860006.db2.gz NOLROWICSHPIHL-NSHDSACASA-N 0 1 407.400 4.015 20 0 HIADMN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n[nH]1 ZINC000534961571 932861787 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CN(C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cccc(F)c1 ZINC000538079165 938496843 /nfs/dbraw/zinc/49/68/43/938496843.db2.gz LPZNEJYVFDFREZ-VAMGGRTRSA-N 0 1 423.891 4.050 20 0 HIADMN Cc1ccc(Br)cc1NC(=O)CCN[C@H](C)c1nc2ccccc2n1C ZINC000538116903 938507106 /nfs/dbraw/zinc/50/71/06/938507106.db2.gz QYRJBOINKRLMAJ-CQSZACIVSA-N 0 1 415.335 4.324 20 0 HIADMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(OC(F)F)cc2)C(C)C)cc1 ZINC000538119948 938508176 /nfs/dbraw/zinc/50/81/76/938508176.db2.gz YFVHBRNKDRXQTQ-YCRPNKLZSA-N 0 1 406.473 4.461 20 0 HIADMN COc1ccc(CN(C)C(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)cc1F ZINC000538121222 938508449 /nfs/dbraw/zinc/50/84/49/938508449.db2.gz SMHZTVJKZRPIGG-KGLIPLIRSA-N 0 1 410.436 4.133 20 0 HIADMN COc1ccc(CN(C)C(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)cc1OC ZINC000538121048 938508461 /nfs/dbraw/zinc/50/84/61/938508461.db2.gz PQNKIXFSVRPZRY-CABCVRRESA-N 0 1 422.472 4.003 20 0 HIADMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)c(C)c1 ZINC000538120920 938508590 /nfs/dbraw/zinc/50/85/90/938508590.db2.gz PVQPJJIQTLWDIA-CABCVRRESA-N 0 1 405.445 4.292 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1F)c1cccc(OC(F)F)c1 ZINC000538121624 938509620 /nfs/dbraw/zinc/50/96/20/938509620.db2.gz ZSZZEFQNIOLNAS-SNVBAGLBSA-N 0 1 417.225 4.479 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC ZINC000538123576 938510248 /nfs/dbraw/zinc/51/02/48/938510248.db2.gz VOKISWIHWGGJSU-KBPBESRZSA-N 0 1 406.910 4.352 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc(OC)c1OC ZINC000538123692 938510333 /nfs/dbraw/zinc/51/03/33/938510333.db2.gz ZQXNQCHHGFYILV-YQQAZPJKSA-N 0 1 418.559 4.177 20 0 HIADMN C[C@@H](NCC(=O)N[C@H](C)c1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000538124625 938510696 /nfs/dbraw/zinc/51/06/96/938510696.db2.gz LFWHUKWXSPBLOU-QZTJIDSGSA-N 0 1 407.489 4.328 20 0 HIADMN C[C@@H](NC(=O)CN[C@@H](C)c1ccc(OCc2cccnc2)cc1)c1ccc(F)cc1 ZINC000538124630 938511010 /nfs/dbraw/zinc/51/10/10/938511010.db2.gz LFWHUKWXSPBLOU-ZWKOTPCHSA-N 0 1 407.489 4.328 20 0 HIADMN CC(C)N(CC(F)(F)F)C(=O)CN[C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000538125399 938511454 /nfs/dbraw/zinc/51/14/54/938511454.db2.gz RPXCWENZYZRYCL-MRXNPFEDSA-N 0 1 409.452 4.111 20 0 HIADMN COc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc(OC)c1OC ZINC000538126025 938511485 /nfs/dbraw/zinc/51/14/85/938511485.db2.gz SLQWPRMRTYILJL-KGLIPLIRSA-N 0 1 404.532 4.112 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)c1 ZINC000538129390 938514263 /nfs/dbraw/zinc/51/42/63/938514263.db2.gz UHVWCMFKMKYBBQ-NEPJUHHUSA-N 0 1 400.479 4.072 20 0 HIADMN COc1ccc([C@H](CCO)NCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000538129280 938514361 /nfs/dbraw/zinc/51/43/61/938514361.db2.gz MCJNXJKSPJCGKQ-NRFANRHFSA-N 0 1 422.550 4.498 20 0 HIADMN O=C(CN[C@@H](CCO)c1ccccc1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000538129200 938514376 /nfs/dbraw/zinc/51/43/76/938514376.db2.gz XPAJBEXNXPHTTI-LADGPHEKSA-N 0 1 408.929 4.259 20 0 HIADMN COC(=O)c1ccc([C@@H](C)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)o1 ZINC000538136472 938516771 /nfs/dbraw/zinc/51/67/71/938516771.db2.gz KVGHHFNRHKHXEM-BLVKFPJESA-N 0 1 402.878 4.229 20 0 HIADMN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000538142629 938518773 /nfs/dbraw/zinc/51/87/73/938518773.db2.gz COCYJQSEKTWMJS-FZMZJTMJSA-N 0 1 400.277 4.426 20 0 HIADMN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@H](C)c2ccccc2OC(F)F)cc1F ZINC000538142509 938519102 /nfs/dbraw/zinc/51/91/02/938519102.db2.gz AOVMVWPDZGYCSB-ZIAGYGMSSA-N 0 1 410.436 4.133 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Br)cc2)c(OC)c1 ZINC000538143685 938519727 /nfs/dbraw/zinc/51/97/27/938519727.db2.gz HSRASIMBPDAPKY-CHWSQXEVSA-N 0 1 407.308 4.144 20 0 HIADMN CCCN(Cc1ccc(C)cc1)C(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000538150135 938521916 /nfs/dbraw/zinc/52/19/16/938521916.db2.gz JGNXFQPUUCRBNX-IBGZPJMESA-N 0 1 407.558 4.433 20 0 HIADMN C[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(OCc2ccccn2)c1 ZINC000538151609 938523542 /nfs/dbraw/zinc/52/35/42/938523542.db2.gz TUUUOGRCURUPKA-MRXNPFEDSA-N 0 1 420.900 4.173 20 0 HIADMN C[C@H](NCC(=O)Nc1nc2c(s1)CCCC2)c1cccc(OCc2ccccn2)c1 ZINC000538151814 938523857 /nfs/dbraw/zinc/52/38/57/938523857.db2.gz QAQCCWJNHPTQRY-INIZCTEOSA-N 0 1 422.554 4.285 20 0 HIADMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)s1 ZINC000538152416 938524984 /nfs/dbraw/zinc/52/49/84/938524984.db2.gz BMDYCMTWUFMBKY-HNNXBMFYSA-N 0 1 412.511 4.368 20 0 HIADMN COc1cc([C@H](C)NCC(=O)NC2CCCCCC2)ccc1OCc1ccncc1 ZINC000538156423 938526817 /nfs/dbraw/zinc/52/68/17/938526817.db2.gz YLROPSSYDBMYHV-SFHVURJKSA-N 0 1 411.546 4.159 20 0 HIADMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1F ZINC000538155867 938526873 /nfs/dbraw/zinc/52/68/73/938526873.db2.gz RVUFAIMWXFTHCI-INIZCTEOSA-N 0 1 424.472 4.446 20 0 HIADMN COC(=O)c1ccc(CN[C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)cc1F ZINC000538155868 938527307 /nfs/dbraw/zinc/52/73/07/938527307.db2.gz RVUFAIMWXFTHCI-MRXNPFEDSA-N 0 1 424.472 4.446 20 0 HIADMN CS(=O)(=O)c1ccc(NC(=O)CN[C@H](CC2CCCCC2)c2ccccc2)cc1 ZINC000538160780 938530099 /nfs/dbraw/zinc/53/00/99/938530099.db2.gz AAPBZTLWVMVWJZ-JOCHJYFZSA-N 0 1 414.571 4.330 20 0 HIADMN Cc1ccsc1-c1nnc(NC(=O)CN[C@@H](C)c2ccc(OC(C)C)cc2)o1 ZINC000538161958 938530454 /nfs/dbraw/zinc/53/04/54/938530454.db2.gz WVPQXVHUPPCPFM-AWEZNQCLSA-N 0 1 400.504 4.183 20 0 HIADMN COc1cc([C@H](C)NCc2cc(=O)n3cc(Cl)ccc3n2)ccc1OCC(C)C ZINC000538169192 938534537 /nfs/dbraw/zinc/53/45/37/938534537.db2.gz HIIVMQIXCDVPNQ-HNNXBMFYSA-N 0 1 415.921 4.242 20 0 HIADMN COc1cccc(S(=O)(=O)CCN[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000538179763 938539895 /nfs/dbraw/zinc/53/98/95/938539895.db2.gz PXMBONIQXNWDDK-HNNXBMFYSA-N 0 1 416.568 4.252 20 0 HIADMN O[C@H](CN[C@@H](CC(F)(F)F)c1ccccc1)COc1ccc(Br)cc1 ZINC000538180039 938541020 /nfs/dbraw/zinc/54/10/20/938541020.db2.gz RDKUXLQLGKJXFL-WBVHZDCISA-N 0 1 418.253 4.472 20 0 HIADMN CCOc1ccc2nc(NC(=O)CN[C@@H](C)c3cccc(-n4cccn4)c3)sc2c1 ZINC000538186520 938542818 /nfs/dbraw/zinc/54/28/18/938542818.db2.gz QOARFVAYYBQTEO-HNNXBMFYSA-N 0 1 421.526 4.170 20 0 HIADMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000538187083 938542887 /nfs/dbraw/zinc/54/28/87/938542887.db2.gz DVGQKLMAKRRFCM-CYBMUJFWSA-N 0 1 412.408 4.200 20 0 HIADMN C[C@@H](N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)c1c[nH]c2ncccc12 ZINC000538187984 938544401 /nfs/dbraw/zinc/54/44/01/938544401.db2.gz LQHZWZJWCTWVAJ-HZPDHXFCSA-N 0 1 413.481 4.132 20 0 HIADMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000538195216 938548588 /nfs/dbraw/zinc/54/85/88/938548588.db2.gz SUWVHJZEILSJGH-YJBOKZPZSA-N 0 1 402.560 4.260 20 0 HIADMN O=C(CN[C@@H](CCCO)c1ccccc1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000538196444 938549771 /nfs/dbraw/zinc/54/97/71/938549771.db2.gz HSRBFPLKYSYJPW-DHLKQENFSA-N 0 1 420.578 4.326 20 0 HIADMN CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000538199239 938551806 /nfs/dbraw/zinc/55/18/06/938551806.db2.gz XGIBQFGTYYNDAJ-SFHVURJKSA-N 0 1 416.525 4.494 20 0 HIADMN CNC(=O)c1cccc(CN[C@@H]2c3cc(Br)ccc3SC[C@@H]2C)c1 ZINC000538206751 938554606 /nfs/dbraw/zinc/55/46/06/938554606.db2.gz WJEMYFIWMNIIMI-SGTLLEGYSA-N 0 1 405.361 4.381 20 0 HIADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(C)(C)c2cccc(F)c2)c1 ZINC000538214382 938559071 /nfs/dbraw/zinc/55/90/71/938559071.db2.gz QHNXHVXTTLKRLD-HXUWFJFHSA-N 0 1 400.494 4.031 20 0 HIADMN C[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccccc1OCc1ccccc1 ZINC000538223233 938563293 /nfs/dbraw/zinc/56/32/93/938563293.db2.gz JPUQNQPNWNJZAM-VQIMIIECSA-N 0 1 406.448 4.470 20 0 HIADMN NC(=O)c1ccc(-c2nc(CN[C@@H](C[C@H]3CCOC3)c3ccccc3)cs2)cc1 ZINC000538233763 938567689 /nfs/dbraw/zinc/56/76/89/938567689.db2.gz PIACZMFRFVXXDA-IERDGZPVSA-N 0 1 407.539 4.167 20 0 HIADMN O=C(CN[C@H](COCc1ccccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000538247242 938573147 /nfs/dbraw/zinc/57/31/47/938573147.db2.gz XLJNBTJQPQIVJJ-RUZDIDTESA-N 0 1 400.522 4.119 20 0 HIADMN COc1ccccc1-c1ccc([C@@H](C)NCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 ZINC000538257573 938576224 /nfs/dbraw/zinc/57/62/24/938576224.db2.gz LIDAWMFEYNXJCX-GCJKJVERSA-N 0 1 416.521 4.133 20 0 HIADMN COc1ccc(OC)c(NC(=O)CN[C@@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000538257788 938576560 /nfs/dbraw/zinc/57/65/60/938576560.db2.gz JQCYUVLUJMGAOA-NRFANRHFSA-N 0 1 408.473 4.355 20 0 HIADMN C[C@@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccccc1C(F)(F)F ZINC000538259800 938577154 /nfs/dbraw/zinc/57/71/54/938577154.db2.gz PFSSOTGVLZAAAM-CYBMUJFWSA-N 0 1 407.461 4.325 20 0 HIADMN Cc1ccsc1-c1nnc(NC(=O)CN[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000538261706 938577393 /nfs/dbraw/zinc/57/73/93/938577393.db2.gz WIKJLJRRDSCCDG-LLVKDONJSA-N 0 1 410.421 4.415 20 0 HIADMN COc1ccc([C@H](CN[C@@H](c2ccn(C)n2)c2ccc(F)cc2)N2CCCC2)cc1 ZINC000538267649 938579394 /nfs/dbraw/zinc/57/93/94/938579394.db2.gz MYVAFLYBTOXDRW-BJKOFHAPSA-N 0 1 408.521 4.084 20 0 HIADMN COc1ccc(CNC(=O)CN[C@H](C)c2ccc3ccccc3c2OC(F)F)cc1 ZINC000538267878 938579550 /nfs/dbraw/zinc/57/95/50/938579550.db2.gz YPZHTQJWMKFKEE-OAHLLOKOSA-N 0 1 414.452 4.417 20 0 HIADMN C[C@H](NCC(=O)N(C)C(c1ccccc1)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000538269787 938579868 /nfs/dbraw/zinc/57/98/68/938579868.db2.gz WHUOVKZHLFYNAC-WWOZWPLTSA-N 0 1 420.578 4.323 20 0 HIADMN COc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1ccc(Br)cn1 ZINC000538280689 938582379 /nfs/dbraw/zinc/58/23/79/938582379.db2.gz XOMGAMWFCYBHIN-INIZCTEOSA-N 0 1 406.324 4.168 20 0 HIADMN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1Cl ZINC000538298403 938586707 /nfs/dbraw/zinc/58/67/07/938586707.db2.gz KRXJDXONVYVJBP-UHFFFAOYSA-N 0 1 406.935 4.465 20 0 HIADMN CCC[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)cc2)CCN1Cc1ccccc1 ZINC000538333349 938595530 /nfs/dbraw/zinc/59/55/30/938595530.db2.gz ZNMMYALEOXGDFB-DEOSSOPVSA-N 0 1 402.542 4.058 20 0 HIADMN FC(F)(F)c1cnc(OCCNCc2nccn2Cc2ccccc2)c(Cl)c1 ZINC000538414575 938615057 /nfs/dbraw/zinc/61/50/57/938615057.db2.gz LSUGURVHUBPWMW-UHFFFAOYSA-N 0 1 410.827 4.167 20 0 HIADMN CC(C)(C)c1n[nH]c(S[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000538447557 938624432 /nfs/dbraw/zinc/62/44/32/938624432.db2.gz AEJSVURNKMPOLE-AWEZNQCLSA-N 0 1 412.481 4.404 20 0 HIADMN COc1ccc([C@@H](CNC(=O)c2cc(C)n(C3CCCCC3)n2)N2CCCC2)cc1 ZINC000538456559 938626366 /nfs/dbraw/zinc/62/63/66/938626366.db2.gz DGTTWOOXEXBZGS-HSZRJFAPSA-N 0 1 410.562 4.272 20 0 HIADMN Cc1nn(C)c(C)c1NC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538470596 938629398 /nfs/dbraw/zinc/62/93/98/938629398.db2.gz RQXJYKOIUPMNEI-ZWKOTPCHSA-N 0 1 408.468 4.262 20 0 HIADMN Cc1ccc(SC2CCCC2)c(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c1 ZINC000538497584 938635883 /nfs/dbraw/zinc/63/58/83/938635883.db2.gz BVQQGPNASUHEAF-NHCUHLMSSA-N 0 1 424.610 4.395 20 0 HIADMN Cn1nccc1[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000538502781 938637151 /nfs/dbraw/zinc/63/71/51/938637151.db2.gz LOGQVJRYVVSYDY-RTWAWAEBSA-N 0 1 415.969 4.147 20 0 HIADMN Cc1[nH]ncc1CCCNC(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC000538507870 938638097 /nfs/dbraw/zinc/63/80/97/938638097.db2.gz IUWCJVRPSRTHKP-UHFFFAOYSA-N 0 1 405.340 4.002 20 0 HIADMN COCCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)ccn1 ZINC000538534218 938643394 /nfs/dbraw/zinc/64/33/94/938643394.db2.gz CJNHIUZBNJXXSR-UHFFFAOYSA-N 0 1 406.417 4.042 20 0 HIADMN C[C@H](NC1(c2cccc(F)c2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000538553362 938647845 /nfs/dbraw/zinc/64/78/45/938647845.db2.gz DOJDTSGSSPRXAC-KRWDZBQOSA-N 0 1 402.535 4.340 20 0 HIADMN C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(N2CCCC2=O)c1 ZINC000538582050 938654858 /nfs/dbraw/zinc/65/48/58/938654858.db2.gz XNINNUUKTZQWNS-XOBRGWDASA-N 0 1 415.896 4.062 20 0 HIADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000538587157 938656079 /nfs/dbraw/zinc/65/60/79/938656079.db2.gz DXFFLMVSXHHWEV-UHFFFAOYSA-N 0 1 421.931 4.011 20 0 HIADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000538588377 938656545 /nfs/dbraw/zinc/65/65/45/938656545.db2.gz QKOMNYWBCLWTIP-UHFFFAOYSA-N 0 1 421.931 4.011 20 0 HIADMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)nn1-c1cccc(Cl)c1 ZINC000538606799 938660425 /nfs/dbraw/zinc/66/04/25/938660425.db2.gz LBDDEFHTUMYMOV-KRWDZBQOSA-N 0 1 423.948 4.185 20 0 HIADMN Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)nn1[C@H](C)C1CC1 ZINC000538621413 938663847 /nfs/dbraw/zinc/66/38/47/938663847.db2.gz ADGHFSFXSXWPEC-LLVKDONJSA-N 0 1 404.396 4.219 20 0 HIADMN O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000538646230 938672026 /nfs/dbraw/zinc/67/20/26/938672026.db2.gz RQERONDEZBOMQD-QGZVFWFLSA-N 0 1 403.530 4.452 20 0 HIADMN CC(=O)N(c1nc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)cs1)c1cccc(C)c1C ZINC000538664100 938678253 /nfs/dbraw/zinc/67/82/53/938678253.db2.gz CILYWCPWIRHUMR-SFHVURJKSA-N 0 1 424.574 4.251 20 0 HIADMN CC(=O)N(c1nc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)cs1)c1cccc(C)c1C ZINC000538664100 938678255 /nfs/dbraw/zinc/67/82/55/938678255.db2.gz CILYWCPWIRHUMR-SFHVURJKSA-N 0 1 424.574 4.251 20 0 HIADMN C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538663716 938678263 /nfs/dbraw/zinc/67/82/63/938678263.db2.gz CJNHEBZBUJKNHE-QFBILLFUSA-N 0 1 400.486 4.462 20 0 HIADMN O=C(Nc1cccc(OCCF)c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538663537 938678379 /nfs/dbraw/zinc/67/83/79/938678379.db2.gz ZJABNHRSCHGRMP-QGZVFWFLSA-N 0 1 409.465 4.232 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538665063 938678825 /nfs/dbraw/zinc/67/88/25/938678825.db2.gz VQWAHYVIIZNCAK-GOEBONIOSA-N 0 1 417.504 4.337 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538665063 938678826 /nfs/dbraw/zinc/67/88/26/938678826.db2.gz VQWAHYVIIZNCAK-GOEBONIOSA-N 0 1 417.504 4.337 20 0 HIADMN Cc1n[nH]c([C@@H]2CCCN([C@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)n1 ZINC000538665747 938679564 /nfs/dbraw/zinc/67/95/64/938679564.db2.gz IAINVDDJTYLTTR-SJLPKXTDSA-N 0 1 405.502 4.112 20 0 HIADMN Cc1nnc([C@@H]2CCCN([C@H](C)C(=O)Nc3ccccc3Oc3ccccc3)C2)[nH]1 ZINC000538665747 938679567 /nfs/dbraw/zinc/67/95/67/938679567.db2.gz IAINVDDJTYLTTR-SJLPKXTDSA-N 0 1 405.502 4.112 20 0 HIADMN CC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1 ZINC000538665385 938679651 /nfs/dbraw/zinc/67/96/51/938679651.db2.gz DVTIGVQRXMBNKE-KRWDZBQOSA-N 0 1 410.522 4.222 20 0 HIADMN CCOCc1ccc(NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1 ZINC000538666161 938680161 /nfs/dbraw/zinc/68/01/61/938680161.db2.gz QCOIHTBRBGTKFK-LJQANCHMSA-N 0 1 405.502 4.420 20 0 HIADMN CNC(=O)CC1CCN(Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000538719431 938689916 /nfs/dbraw/zinc/68/99/16/938689916.db2.gz JVMMYFLGPZYEQF-UHFFFAOYSA-N 0 1 402.970 4.307 20 0 HIADMN COc1ccc(CN(Cc2cc(C)nc(N3CCCCC3)n2)CC(C)C)cc1OC ZINC000538725253 938692719 /nfs/dbraw/zinc/69/27/19/938692719.db2.gz IYQNFXBCXNSQPH-UHFFFAOYSA-N 0 1 412.578 4.451 20 0 HIADMN O=C(CC1CCCC1)NC1CCN(Cc2ccccc2OCc2ccncc2)CC1 ZINC000538731215 938695077 /nfs/dbraw/zinc/69/50/77/938695077.db2.gz NYUYISNNYCPISM-UHFFFAOYSA-N 0 1 407.558 4.322 20 0 HIADMN O[C@@H]([C@@H]1CCCN1Cc1cnc(-c2ccc(Br)cc2)s1)C(F)(F)F ZINC000538732776 938695903 /nfs/dbraw/zinc/69/59/03/938695903.db2.gz RSYAEHWSEAJOJM-KBPBESRZSA-N 0 1 421.282 4.460 20 0 HIADMN Cc1occc1C(=O)NC1CCN(C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000538739522 938697487 /nfs/dbraw/zinc/69/74/87/938697487.db2.gz SWWJWLNHWFYTQF-CQSZACIVSA-N 0 1 405.336 4.348 20 0 HIADMN CCCOc1c(Br)cc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1OCC ZINC000538749449 938700712 /nfs/dbraw/zinc/70/07/12/938700712.db2.gz MZTOSZQZSGELCO-IRXDYDNUSA-N 0 1 412.368 4.495 20 0 HIADMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 ZINC000538749839 938700833 /nfs/dbraw/zinc/70/08/33/938700833.db2.gz IWYWJMNNDSMPHT-MRXNPFEDSA-N 0 1 411.493 4.433 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000538753396 938702647 /nfs/dbraw/zinc/70/26/47/938702647.db2.gz LZHRSGVWZXVDID-UHFFFAOYSA-N 0 1 421.347 4.026 20 0 HIADMN CC1(C)CC[C@@H](CNC(=O)NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000538776011 938707520 /nfs/dbraw/zinc/70/75/20/938707520.db2.gz XLRHOJSOXCSRAP-IBGZPJMESA-N 0 1 406.574 4.200 20 0 HIADMN O=C(CNc1cccc(F)c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000538791895 938712996 /nfs/dbraw/zinc/71/29/96/938712996.db2.gz UQTNPSHMJAQGOK-UHFFFAOYSA-N 0 1 402.298 4.407 20 0 HIADMN Cc1nnc(SCC(=O)Nc2ccc3c(C)[nH]nc3c2)n1-c1cc(C)ccc1C ZINC000538806503 938717699 /nfs/dbraw/zinc/71/76/99/938717699.db2.gz DNCJEIJUURPJMF-UHFFFAOYSA-N 0 1 406.515 4.108 20 0 HIADMN COc1cc(CCC(=O)Nc2ccc3c(C)[nH]nc3c2)ccc1OCC(F)(F)F ZINC000538806011 938717785 /nfs/dbraw/zinc/71/77/85/938717785.db2.gz DUYNTDIRXLJOSR-UHFFFAOYSA-N 0 1 407.392 4.392 20 0 HIADMN CN(C)[C@@H](CNC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccc(Cl)cc1 ZINC000538863635 938727696 /nfs/dbraw/zinc/72/76/96/938727696.db2.gz GSTGWBHFELOYJT-QHCPKHFHSA-N 0 1 423.944 4.276 20 0 HIADMN CCc1nc2ccccc2n1C1CCN([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000538953437 938747444 /nfs/dbraw/zinc/74/74/44/938747444.db2.gz ITWRQFRCMQEMTH-INIZCTEOSA-N 0 1 402.502 4.442 20 0 HIADMN COc1ccc(CN(CC(=O)Nc2cc(C)on2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000538956065 938748490 /nfs/dbraw/zinc/74/84/90/938748490.db2.gz JWAMFSQCZCDVLV-QAPCUYQASA-N 0 1 401.507 4.020 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)N(Cc2ccco2)Cc2cccnc2)CC1 ZINC000538963676 938752629 /nfs/dbraw/zinc/75/26/29/938752629.db2.gz CXSYCQHCVJYRLN-UHFFFAOYSA-N 0 1 419.529 4.051 20 0 HIADMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000538967249 938753872 /nfs/dbraw/zinc/75/38/72/938753872.db2.gz BIEJLQUJNOSKFO-OAHLLOKOSA-N 0 1 418.469 4.303 20 0 HIADMN CCc1ccc(CN2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)s1 ZINC000538982498 938758763 /nfs/dbraw/zinc/75/87/63/938758763.db2.gz NGTBXYFPICYXLU-UHFFFAOYSA-N 0 1 419.501 4.474 20 0 HIADMN COc1ccc(CN(C(=O)[C@@H]2CCCc3[nH]ncc32)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000539017754 938770043 /nfs/dbraw/zinc/77/00/43/938770043.db2.gz OXXIGALHLZEHBW-HGHGUNKESA-N 0 1 411.546 4.454 20 0 HIADMN CCN(CC)[C@H](C(=O)N[C@@H]1CCO[C@H](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000539022987 938771929 /nfs/dbraw/zinc/77/19/29/938771929.db2.gz GAFXUJGVLCKYEA-QYZOEREBSA-N 0 1 400.485 4.408 20 0 HIADMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1sc(-c2cccnc2)nc1C ZINC000539042865 938779749 /nfs/dbraw/zinc/77/97/49/938779749.db2.gz JSWVNWFWFJLVSD-QAPCUYQASA-N 0 1 415.584 4.417 20 0 HIADMN C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCc1cccnc1OCC(F)F ZINC000539043703 938780132 /nfs/dbraw/zinc/78/01/32/938780132.db2.gz FBLVFNYNTAFTOW-LBPRGKRZSA-N 0 1 417.378 4.251 20 0 HIADMN COc1cc(C)c([C@H](C)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1OC ZINC000539045649 938780893 /nfs/dbraw/zinc/78/08/93/938780893.db2.gz CDJYCVOKEBVHQH-FNVCAUGXSA-N 0 1 418.965 4.388 20 0 HIADMN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000539050226 938783070 /nfs/dbraw/zinc/78/30/70/938783070.db2.gz HLANKYXSOHJUAP-LAUBAEHRSA-N 0 1 415.534 4.135 20 0 HIADMN Cc1nc(-c2cc([C@H](C)N[C@@H]3CCCN(CC(F)(F)F)C3=O)cs2)cs1 ZINC000539051909 938783872 /nfs/dbraw/zinc/78/38/72/938783872.db2.gz FKVPXIPQACFSPY-GXFFZTMASA-N 0 1 403.495 4.384 20 0 HIADMN CCNC(=O)COc1cccc(CN[C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000539054814 938784974 /nfs/dbraw/zinc/78/49/74/938784974.db2.gz RDNAWVXEZHJISA-LJQANCHMSA-N 0 1 420.557 4.163 20 0 HIADMN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000539054982 938785738 /nfs/dbraw/zinc/78/57/38/938785738.db2.gz MMQWNMBJCUBTCR-LRDDRELGSA-N 0 1 406.349 4.295 20 0 HIADMN COCCOc1ccc([C@H](C)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000539064317 938790003 /nfs/dbraw/zinc/79/00/03/938790003.db2.gz GOOTURRDCNKMPA-JJEOQYAHSA-N 0 1 418.965 4.088 20 0 HIADMN O=C(CN[C@H]1CCc2ccc(OC(F)(F)F)cc21)Nc1ccc(F)c(F)c1F ZINC000539074975 938795283 /nfs/dbraw/zinc/79/52/83/938795283.db2.gz MSBLXUPTQBWGOI-ZDUSSCGKSA-N 0 1 404.310 4.218 20 0 HIADMN COc1cc(Br)c(CN[C@@H](C)CC(=O)Nc2cccc(C)c2)cc1OC ZINC000539079402 938797559 /nfs/dbraw/zinc/79/75/59/938797559.db2.gz ZDPZDUURJAXMFZ-AWEZNQCLSA-N 0 1 421.335 4.282 20 0 HIADMN CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1OC(F)F ZINC000539089852 938800382 /nfs/dbraw/zinc/80/03/82/938800382.db2.gz HPNGDQKKFQIWSJ-RDTXWAMCSA-N 0 1 412.502 4.340 20 0 HIADMN CC[C@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1cc(Cl)ccc1OC ZINC000539091192 938801087 /nfs/dbraw/zinc/80/10/87/938801087.db2.gz UFXWESPDLHSBOI-SFHVURJKSA-N 0 1 420.937 4.065 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000539090895 938801145 /nfs/dbraw/zinc/80/11/45/938801145.db2.gz ODTARNWOWMNFRL-KKSFZXQISA-N 0 1 420.550 4.421 20 0 HIADMN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000539091514 938801327 /nfs/dbraw/zinc/80/13/27/938801327.db2.gz YPWAHYKMQISJDS-PEBXRYMYSA-N 0 1 410.905 4.494 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000539094108 938801998 /nfs/dbraw/zinc/80/19/98/938801998.db2.gz UKILKYHZJUPJDM-QGZVFWFLSA-N 0 1 409.530 4.131 20 0 HIADMN Fc1ccc(-c2n[nH]c(CN[C@@H]3CCCOc4ccc(Br)cc43)n2)cc1 ZINC000539119550 938805398 /nfs/dbraw/zinc/80/53/98/938805398.db2.gz RGXQQAKMZFHXBY-MRXNPFEDSA-N 0 1 417.282 4.377 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cnc(Oc5ccccc5)cn4)C3)[nH]c2c1 ZINC000539150181 938811418 /nfs/dbraw/zinc/81/14/18/938811418.db2.gz WJNNCQQAXCEGCK-QGZVFWFLSA-N 0 1 413.481 4.473 20 0 HIADMN CN(C)Cc1cc(CNC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1F ZINC000539156340 938813283 /nfs/dbraw/zinc/81/32/83/938813283.db2.gz ZXFNYVVYMKQTPY-WOJBJXKFSA-N 0 1 423.891 4.009 20 0 HIADMN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000539165656 938814743 /nfs/dbraw/zinc/81/47/43/938814743.db2.gz IDIOVRXVXAIUIM-DIFFPNOSSA-N 0 1 416.403 4.188 20 0 HIADMN CC[C@@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(Cl)cc1 ZINC000539184648 938817062 /nfs/dbraw/zinc/81/70/62/938817062.db2.gz ZJFVGZYUKRCGOW-CYBMUJFWSA-N 0 1 406.820 4.360 20 0 HIADMN Cc1cccc(C)c1OC[C@H](N[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000539216713 938820211 /nfs/dbraw/zinc/82/02/11/938820211.db2.gz HDFCMXCRFZHANJ-XXBNENTESA-N 0 1 424.566 4.422 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@H](c2ccc(OC)cc2)C(C)C)s1 ZINC000539218511 938820460 /nfs/dbraw/zinc/82/04/60/938820460.db2.gz 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410.436 4.164 20 0 HIADMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc(C)ccc2OC)cc1OCC ZINC000539268501 938830408 /nfs/dbraw/zinc/83/04/08/938830408.db2.gz QEEOKDVRUXMRHV-DLBZAZTESA-N 0 1 400.519 4.479 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2nnc(C(C)(C)C)s2)ccc1OCC(C)C ZINC000539269627 938830732 /nfs/dbraw/zinc/83/07/32/938830732.db2.gz CSGIMRNRECIDOF-CQSZACIVSA-N 0 1 420.579 4.168 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1OCC(C)C ZINC000539270941 938831056 /nfs/dbraw/zinc/83/10/56/938831056.db2.gz QHQPQIFRUBQMKK-WBVHZDCISA-N 0 1 416.484 4.182 20 0 HIADMN C[C@H](N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)Nc1nccs1 ZINC000539277707 938832131 /nfs/dbraw/zinc/83/21/31/938832131.db2.gz VKUFNZIJSOVZFR-KBPBESRZSA-N 0 1 412.490 4.212 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)CN[C@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000539280355 938832768 /nfs/dbraw/zinc/83/27/68/938832768.db2.gz GIYCWQAEUJWXJW-CQSZACIVSA-N 0 1 408.527 4.366 20 0 HIADMN COc1cccc(CN(C)C(=O)CN[C@@H](c2ccccc2Cl)C(C)C)c1OC 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/nfs/dbraw/zinc/84/16/29/938841629.db2.gz GCWWDPUGUJZDQY-CYBMUJFWSA-N 0 1 418.284 4.319 20 0 HIADMN COc1cc(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)cc(OC)c1OC ZINC000539324899 938841736 /nfs/dbraw/zinc/84/17/36/938841736.db2.gz BWUQQTRDEIQVGA-INIZCTEOSA-N 0 1 421.497 4.064 20 0 HIADMN C[C@@H](NC(=O)CNC1(c2ccc3c(c2)OCO3)CC1)c1ccc(Cl)c(Cl)c1 ZINC000539329090 938842550 /nfs/dbraw/zinc/84/25/50/938842550.db2.gz BDPZBQNXMCMMPW-GFCCVEGCSA-N 0 1 407.297 4.178 20 0 HIADMN COC(=O)c1ccc(C)c(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)c1 ZINC000539334728 938843641 /nfs/dbraw/zinc/84/36/41/938843641.db2.gz HLOCVGBKKRTKAN-KRWDZBQOSA-N 0 1 403.482 4.133 20 0 HIADMN C[C@@H](NCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 ZINC000539334906 938843711 /nfs/dbraw/zinc/84/37/11/938843711.db2.gz OSLHZPXNJAUANW-QGZVFWFLSA-N 0 1 409.917 4.248 20 0 HIADMN C[C@H](NCC(=O)NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2cccnc2)cc1 ZINC000539334918 938843745 /nfs/dbraw/zinc/84/37/45/938843745.db2.gz OWXNQBZOGIJGAV-SFTDATJTSA-N 0 1 414.553 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Fc1ccc(OCc2ccc(-c3nc(Cc4nnc(-c5ccccc5)[nH]4)no3)o2)cc1 ZINC000545794315 940597661 /nfs/dbraw/zinc/59/76/61/940597661.db2.gz AXZJUWVIDFERGP-UHFFFAOYSA-N 0 1 417.400 4.424 20 0 HIADMN COc1ccc(-c2nc(-c3nc(Cc4nnc(-c5ccccc5)[nH]4)no3)cs2)cc1 ZINC000545796910 940599529 /nfs/dbraw/zinc/59/95/29/940599529.db2.gz SNGFKBLSRYWGER-UHFFFAOYSA-N 0 1 416.466 4.245 20 0 HIADMN CCOc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000545855333 940638855 /nfs/dbraw/zinc/63/88/55/940638855.db2.gz DRRZQSWFVYOSEY-BEFAXECRSA-N 0 1 402.922 4.085 20 0 HIADMN CCOc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(Cl)c1[O-] ZINC000545855333 940638860 /nfs/dbraw/zinc/63/88/60/940638860.db2.gz DRRZQSWFVYOSEY-BEFAXECRSA-N 0 1 402.922 4.085 20 0 HIADMN Cc1cc(Br)cn2cc(CCNCc3csc(C(C)(C)C)n3)nc12 ZINC000546057098 940684893 /nfs/dbraw/zinc/68/48/93/940684893.db2.gz ZRSLLONVMHKIQI-UHFFFAOYSA-N 0 1 407.381 4.492 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)c3nc(C)oc3-c3ccccc3)CC2)cc1 ZINC000546067581 940689589 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c1ccc(COc2ccc(-c3nc(Cc4nnc(-c5ccccc5)[nH]4)no3)cn2)cc1 ZINC000547207706 941032809 /nfs/dbraw/zinc/03/28/09/941032809.db2.gz YICCKTFFHBQIIS-UHFFFAOYSA-N 0 1 410.437 4.087 20 0 HIADMN CS(=O)(=O)Nc1cccc(CNCc2cnc(-c3ccc(Cl)cc3)s2)c1 ZINC000564067447 945369214 /nfs/dbraw/zinc/36/92/14/945369214.db2.gz WHXNYIDRCHQKLA-UHFFFAOYSA-N 0 1 407.948 4.125 20 0 HIADMN COCCOc1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000547244070 941041772 /nfs/dbraw/zinc/04/17/72/941041772.db2.gz GFOZAIMNHQKCLQ-UHFFFAOYSA-N 0 1 413.495 4.092 20 0 HIADMN CCOc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000547270053 941049078 /nfs/dbraw/zinc/04/90/78/941049078.db2.gz MFEBYIGSSBIVRQ-INIZCTEOSA-N 0 1 402.922 4.181 20 0 HIADMN CCOc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000547270053 941049080 /nfs/dbraw/zinc/04/90/80/941049080.db2.gz MFEBYIGSSBIVRQ-INIZCTEOSA-N 0 1 402.922 4.181 20 0 HIADMN Cn1cnc(-c2ccc(NC(=O)c3cccc4nc(-c5cccs5)[nH]c43)cc2)n1 ZINC000547291891 941053866 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CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)n[nH]1 ZINC000572053945 947834345 /nfs/dbraw/zinc/83/43/45/947834345.db2.gz WLEHTDLITWVZTD-LLVKDONJSA-N 0 1 407.400 4.015 20 0 HIADMN CC(C)Cn1ccc2c1cccc2C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000572090089 947844342 /nfs/dbraw/zinc/84/43/42/947844342.db2.gz OFCYIEPVZGDEQA-XMMPIXPASA-N 0 1 418.585 4.016 20 0 HIADMN O=C(C[C@H]1CCCCO1)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000572192363 947859858 /nfs/dbraw/zinc/85/98/58/947859858.db2.gz CVVWCYXCEUCDIV-DNQXCXABSA-N 0 1 407.558 4.034 20 0 HIADMN Cc1ncccc1CN1CC(CN2CC(C)(C)c3cc(-c4cnn(C)c4)ccc32)C1 ZINC000572304961 947879495 /nfs/dbraw/zinc/87/94/95/947879495.db2.gz YKSVWFCBJHSXLG-UHFFFAOYSA-N 0 1 401.558 4.020 20 0 HIADMN CC(C)[C@H](NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(F)cc1 ZINC000572306828 947880596 /nfs/dbraw/zinc/88/05/96/947880596.db2.gz PLNAQKPZCURFJI-HJPURHCSSA-N 0 1 412.484 4.315 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000572504764 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C[C@@H](NCc1ccc(Sc2ccccn2)o1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000574743973 948519805 /nfs/dbraw/zinc/51/98/05/948519805.db2.gz HWHWJDRFRWKKMG-NQIIRXRSSA-N 0 1 409.555 4.205 20 0 HIADMN Cc1cccc2ncc(CN3CCC(O)(Cc4ccc(OC(F)(F)F)cc4)CC3)n21 ZINC000574796495 948528676 /nfs/dbraw/zinc/52/86/76/948528676.db2.gz COPZBZYPFWTARH-UHFFFAOYSA-N 0 1 419.447 4.111 20 0 HIADMN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000574840323 948540226 /nfs/dbraw/zinc/54/02/26/948540226.db2.gz SIRNBOMMVAJKCC-QFIPXVFZSA-N 0 1 410.562 4.452 20 0 HIADMN Cc1ccc2sc(C(=O)Nc3ccc(OCCN4CCN(C)CC4)cc3)cc2c1 ZINC000575033049 948580071 /nfs/dbraw/zinc/58/00/71/948580071.db2.gz MLMXWPLSKTVEAJ-UHFFFAOYSA-N 0 1 409.555 4.088 20 0 HIADMN O[C@@H](CNCc1nc2cc(Cl)ccc2s1)COc1ccccc1C(F)(F)F ZINC000575089382 948589528 /nfs/dbraw/zinc/58/95/28/948589528.db2.gz GRHJEHQVUITHRC-LBPRGKRZSA-N 0 1 416.852 4.498 20 0 HIADMN Cc1c(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cnn1C1CCCC1 ZINC000575122736 948599342 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20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)C[C@H](C)c3c[nH]c4ccccc43)n2)c(OC)c1 ZINC000426126954 856125051 /nfs/dbraw/zinc/12/50/51/856125051.db2.gz KSMOLSTVOXCOGY-ZDUSSCGKSA-N 0 1 405.458 4.103 20 0 HIADMN Cc1cccc2nc(CCC(=O)NCc3cccc(NC(=O)C4CCCC4)c3)[nH]c21 ZINC000426169985 856152061 /nfs/dbraw/zinc/15/20/61/856152061.db2.gz KUWXVSZFXLDEBI-UHFFFAOYSA-N 0 1 404.514 4.249 20 0 HIADMN Cn1cc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c(C(C)(C)C)n1 ZINC000426282994 856219865 /nfs/dbraw/zinc/21/98/65/856219865.db2.gz LPBSAAWTBBLRTJ-IBGZPJMESA-N 0 1 418.532 4.341 20 0 HIADMN COc1ccccc1[C@@H](NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccco1 ZINC000426295693 856227447 /nfs/dbraw/zinc/22/74/47/856227447.db2.gz OCWVOXWPDZNHKA-AUSIDOKSSA-N 0 1 423.513 4.415 20 0 HIADMN C[C@](NCCOc1ccc2ccccc2c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426427309 856286074 /nfs/dbraw/zinc/28/60/74/856286074.db2.gz MSVUNELXXMETRP-OAQYLSRUSA-N 0 1 402.416 4.228 20 0 HIADMN Cc1nn(C)c(=O)c(-c2nc(CN3CC[C@H](c4ccccc4)[C@H](C)C3)cs2)c1C ZINC000426446826 856294849 /nfs/dbraw/zinc/29/48/49/856294849.db2.gz COGNEZIJAJQHQE-QRWLVFNGSA-N 0 1 408.571 4.146 20 0 HIADMN C[C@](NCCOc1ccc(C(F)(F)F)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000426448330 856296268 /nfs/dbraw/zinc/29/62/68/856296268.db2.gz PUQNGYFRHLDHHG-QGZVFWFLSA-N 0 1 420.353 4.093 20 0 HIADMN CC[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(Cl)s1 ZINC000426469959 856308442 /nfs/dbraw/zinc/30/84/42/856308442.db2.gz JQPBRBYLFQTQBP-SQNIBIBYSA-N 0 1 421.994 4.035 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)n[nH]1 ZINC000426507564 856323907 /nfs/dbraw/zinc/32/39/07/856323907.db2.gz KOMYJNXXFGXMMW-BDJLRTHQSA-N 0 1 423.380 4.290 20 0 HIADMN COCCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)[C@@H]1CCOC1 ZINC000426516131 856329390 /nfs/dbraw/zinc/32/93/90/856329390.db2.gz LTIUVIDAPKGBAH-GOSISDBHSA-N 0 1 423.340 4.483 20 0 HIADMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000426621630 856377365 /nfs/dbraw/zinc/37/73/65/856377365.db2.gz XTAHDWFBXVKQHD-OAHLLOKOSA-N 0 1 405.502 4.018 20 0 HIADMN CCc1nc(C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)ccc1C(=O)[O-] ZINC000426637941 856387326 /nfs/dbraw/zinc/38/73/26/856387326.db2.gz NTQRUUDJQKRENH-UHFFFAOYSA-N 0 1 406.530 4.174 20 0 HIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc2ccccc2n1CC(F)(F)F ZINC000426683691 856412081 /nfs/dbraw/zinc/41/20/81/856412081.db2.gz UZNMVRWJXLKHBD-UHFFFAOYSA-N 0 1 404.367 4.192 20 0 HIADMN CSc1cc2c(cc1C[NH2+][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl)OCCO2 ZINC000426720485 856433140 /nfs/dbraw/zinc/43/31/40/856433140.db2.gz NCUPPTIWXSRMDO-QGZVFWFLSA-N 0 1 414.310 4.402 20 0 HIADMN Cn1c(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)nc2cc(C(F)(F)F)ccc21 ZINC000426730373 856439137 /nfs/dbraw/zinc/43/91/37/856439137.db2.gz LDEQZLBJWBKQGT-MRXNPFEDSA-N 0 1 415.774 4.300 20 0 HIADMN Cc1ccc(-c2ncc(C[NH2+][C@@H](CN3CCCc4ccccc43)C(=O)[O-])s2)cc1 ZINC000426733803 856441923 /nfs/dbraw/zinc/44/19/23/856441923.db2.gz NYEWCSALZNODGC-FQEVSTJZSA-N 0 1 407.539 4.114 20 0 HIADMN C[C@@H](NCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000426748812 856452849 /nfs/dbraw/zinc/45/28/49/856452849.db2.gz AHGGNHGATHKDCU-SNVBAGLBSA-N 0 1 414.720 4.425 20 0 HIADMN O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000426751268 856454778 /nfs/dbraw/zinc/45/47/78/856454778.db2.gz URJPCQDEPZZVJY-LJQANCHMSA-N 0 1 412.436 4.220 20 0 HIADMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000426755393 856458537 /nfs/dbraw/zinc/45/85/37/856458537.db2.gz ZADAUOIQYGFVED-WBMJQRKESA-N 0 1 412.313 4.295 20 0 HIADMN Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](CN2CCCc3ccccc32)C(=O)[O-])o1 ZINC000426755531 856458950 /nfs/dbraw/zinc/45/89/50/856458950.db2.gz CWFQLQLBALXMGU-NRFANRHFSA-N 0 1 408.473 4.390 20 0 HIADMN Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H]([NH2+]Cc1cc(F)ccc1F)C(=O)[O-] ZINC000426794342 856482594 /nfs/dbraw/zinc/48/25/94/856482594.db2.gz UDKRVRYOFPEQAM-IBGZPJMESA-N 0 1 405.832 4.336 20 0 HIADMN O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426811101 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4.380 20 0 HIADMN COC1CCC(N(C)CC(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)CC1 ZINC000427001866 856589421 /nfs/dbraw/zinc/58/94/21/856589421.db2.gz UWFUILKXMNBPNU-QPFKGPCDSA-N 0 1 420.981 4.026 20 0 HIADMN COC(=O)c1cccc(NC(=O)c2ccc(Nc3ccncc3)cc2)c1OC(C)C ZINC000427006910 856592073 /nfs/dbraw/zinc/59/20/73/856592073.db2.gz FGWPDZUSQVXFKP-UHFFFAOYSA-N 0 1 405.454 4.073 20 0 HIADMN Cc1nc2c(s1)CCC[C@H]2C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000427091606 856630667 /nfs/dbraw/zinc/63/06/67/856630667.db2.gz FIUFRMFKRCTQJN-DLBZAZTESA-N 0 1 413.591 4.443 20 0 HIADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427112631 856645022 /nfs/dbraw/zinc/64/50/22/856645022.db2.gz BYMHCABZRKYVFF-SFHVURJKSA-N 0 1 403.404 4.391 20 0 HIADMN Cc1c(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cnn1C ZINC000427118285 856649106 /nfs/dbraw/zinc/64/91/06/856649106.db2.gz VPWUNTLFRPGHBY-UHFFFAOYSA-N 0 1 413.286 4.023 20 0 HIADMN O=C(NCCCc1nc2c(s1)CCCC2)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427121830 856652169 /nfs/dbraw/zinc/65/21/69/856652169.db2.gz MCIRAZWJGWWQQL-UHFFFAOYSA-N 0 1 406.964 4.490 20 0 HIADMN Cc1nc2ccc(S(=O)(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2s1 ZINC000427128242 856656779 /nfs/dbraw/zinc/65/67/79/856656779.db2.gz KHZXZJJFXVQNAK-UHFFFAOYSA-N 0 1 416.528 4.033 20 0 HIADMN COc1cc(NC(=O)CCN2CC(C)(C)[C@@H]2c2cccnc2)c(OC)cc1Cl ZINC000427155940 856674300 /nfs/dbraw/zinc/67/43/00/856674300.db2.gz UFNHGLVONJJOOC-FQEVSTJZSA-N 0 1 403.910 4.164 20 0 HIADMN CCN(CCNC(=O)Cc1cc(Cl)ccc1Br)CCC(F)(F)F ZINC000427209070 856713949 /nfs/dbraw/zinc/71/39/49/856713949.db2.gz LMDVKYCOFYXRMP-UHFFFAOYSA-N 0 1 415.681 4.036 20 0 HIADMN CCN(CCNC(=O)c1ccc(Br)c(Cl)c1)CCC(F)(F)F ZINC000427219744 856719142 /nfs/dbraw/zinc/71/91/42/856719142.db2.gz ZOLADQMQVTZIRR-UHFFFAOYSA-N 0 1 401.654 4.107 20 0 HIADMN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000427238321 856730535 /nfs/dbraw/zinc/73/05/35/856730535.db2.gz VCLAQQVQWAJEGN-UHFFFAOYSA-N 0 1 404.514 4.411 20 0 HIADMN Cc1cc2cc(NS(=O)(=O)c3c(Cl)ccc4ccccc43)ccc2n(C)c1=O ZINC000427332382 856776927 /nfs/dbraw/zinc/77/69/27/856776927.db2.gz UASFZFOEKJQRAC-UHFFFAOYSA-N 0 1 412.898 4.454 20 0 HIADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000437478882 862838370 /nfs/dbraw/zinc/83/83/70/862838370.db2.gz ZMBWSZIDMZWDJU-QQMNAOGKSA-N 0 1 411.521 4.043 20 0 HIADMN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1c[nH]cc1-c1ccccc1F ZINC000427418912 856812486 /nfs/dbraw/zinc/81/24/86/856812486.db2.gz CXFMIIBCOOLVRY-GOSISDBHSA-N 0 1 409.530 4.168 20 0 HIADMN CCc1c(C(=O)Nc2cccc(CN3CCSCC3)c2)cnn1CCC(C)C ZINC000427449269 856825110 /nfs/dbraw/zinc/82/51/10/856825110.db2.gz GKILZZWDVAFVCF-UHFFFAOYSA-N 0 1 400.592 4.293 20 0 HIADMN CO[C@@H](C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1ccc(O)cc1 ZINC000427471214 856834979 /nfs/dbraw/zinc/83/49/79/856834979.db2.gz LIIAFJHOPNQJAB-NHCUHLMSSA-N 0 1 418.484 4.090 20 0 HIADMN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1ncc(Br)cc1F ZINC000427528824 856851354 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415.350 4.030 20 0 HIADMN C[C@@H](C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000438449515 863874095 /nfs/dbraw/zinc/87/40/95/863874095.db2.gz SIWYSLBPLYVFDB-HWPZZCPQSA-N 0 1 410.346 4.111 20 0 HIADMN CC(C)c1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000438450047 863875168 /nfs/dbraw/zinc/87/51/68/863875168.db2.gz ZHPZRCLWNAQIQP-QGZVFWFLSA-N 0 1 404.392 4.172 20 0 HIADMN C[C@H](Sc1ccccc1)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438454223 863878440 /nfs/dbraw/zinc/87/84/40/863878440.db2.gz KCLAHQUANPZGHX-BLLLJJGKSA-N 0 1 406.433 4.210 20 0 HIADMN O=C(Cc1ccc(F)cc1Cl)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438463166 863885397 /nfs/dbraw/zinc/88/53/97/863885397.db2.gz RYUUCDIHPSQHKR-MRXNPFEDSA-N 0 1 412.774 4.064 20 0 HIADMN Fc1cccc2c1OCC[C@H]2NCc1cc(Br)c2c(c1)OCCCO2 ZINC000438473793 863892132 /nfs/dbraw/zinc/89/21/32/863892132.db2.gz FLZICYGCNCPOHL-MRXNPFEDSA-N 0 1 408.267 4.363 20 0 HIADMN COc1ccc(CC(C)(C)NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 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CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(OCc2nn[nH]n2)cc1 ZINC000469375281 883501585 /nfs/dbraw/zinc/50/15/85/883501585.db2.gz NCRZLMGWUBHUBQ-UHFFFAOYSA-N 0 1 419.407 4.005 20 0 HIADMN CC(C)(CNC(=O)NC1CCN(Cc2ccncc2)CC1)c1cccc(Cl)c1F ZINC000469395738 883554800 /nfs/dbraw/zinc/55/48/00/883554800.db2.gz OTRKCKUGRAMQLX-UHFFFAOYSA-N 0 1 418.944 4.116 20 0 HIADMN Cc1[nH]c(S(=O)(=O)Cc2csc(-c3cccs3)n2)nc1Cc1ccccc1 ZINC000503624917 912723732 /nfs/dbraw/zinc/72/37/32/912723732.db2.gz FERCVYPYXZJBAW-UHFFFAOYSA-N 0 1 415.565 4.468 20 0 HIADMN Cc1[nH]c(S(=O)(=O)Cc2coc(-c3ccc(F)cc3)n2)nc1Cc1ccccc1 ZINC000503624948 912724330 /nfs/dbraw/zinc/72/43/30/912724330.db2.gz FIUCJELNAQMAFH-UHFFFAOYSA-N 0 1 411.458 4.077 20 0 HIADMN CC(=O)Nc1ccccc1CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000469405275 883574777 /nfs/dbraw/zinc/57/47/77/883574777.db2.gz FCHVUELMOCXGLW-NRFANRHFSA-N 0 1 413.949 4.012 20 0 HIADMN CC1CCN([C@@H](CNC(=O)CCC(=O)c2ccc(Cl)cn2)c2cccs2)CC1 ZINC000469433059 883618363 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O=C(Nc1cc(Br)cc(Cl)c1O)c1ncccc1Br ZINC000476528105 891438766 /nfs/dbraw/zinc/43/87/66/891438766.db2.gz XZKBEAVHIGTDKX-UHFFFAOYSA-N 0 1 406.461 4.218 20 0 HIADMN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000476540470 891454783 /nfs/dbraw/zinc/45/47/83/891454783.db2.gz QFGMWFFDJKRLFU-LKUPVBHCSA-N 0 1 417.937 4.242 20 0 HIADMN CCCc1ccc(-c2ccc(NC(=O)C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)cc2)cc1 ZINC000476583223 891510437 /nfs/dbraw/zinc/51/04/37/891510437.db2.gz VIKQNPFHEVJOEV-MRXNPFEDSA-N 0 1 419.529 4.364 20 0 HIADMN CCn1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000476655526 891599170 /nfs/dbraw/zinc/59/91/70/891599170.db2.gz QTDWNZDFUKSIMY-OAQYLSRUSA-N 0 1 423.944 4.242 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCCC3(CCCCC3)C2)N(C)C)cc1OC ZINC000476680650 891631052 /nfs/dbraw/zinc/63/10/52/891631052.db2.gz KQEMCCRZGNFTNW-IBGZPJMESA-N 0 1 403.567 4.062 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)n2)cc1 ZINC000476708630 891668246 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Clc1ccc([C@@H](Cc2cccnc2)NCc2cccc(N3CCOCC3)n2)cc1 ZINC000480761585 896122193 /nfs/dbraw/zinc/12/21/93/896122193.db2.gz SPBFQIPCXICRQJ-JOCHJYFZSA-N 0 1 408.933 4.040 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F)c1ccsc1 ZINC000480773585 896138961 /nfs/dbraw/zinc/13/89/61/896138961.db2.gz FZIXTWUQLDRFKD-QGZVFWFLSA-N 0 1 407.511 4.267 20 0 HIADMN CCN(Cc1nc2ccc(Br)cc2[nH]1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000480796511 896163838 /nfs/dbraw/zinc/16/38/38/896163838.db2.gz NIBQACQBKIMCGW-UHFFFAOYSA-N 0 1 415.335 4.049 20 0 HIADMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC000480823223 896196839 /nfs/dbraw/zinc/19/68/39/896196839.db2.gz ZCTBYARHRPDENY-UHFFFAOYSA-N 0 1 409.343 4.419 20 0 HIADMN Fc1ccccc1COc1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cn1 ZINC000480860714 896226247 /nfs/dbraw/zinc/22/62/47/896226247.db2.gz AYIOKDPYJIXLMU-SFHVURJKSA-N 0 1 407.493 4.175 20 0 HIADMN C[C@H](NCc1cccc(NC(=O)C2CCCC2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000480879280 896235208 /nfs/dbraw/zinc/23/52/08/896235208.db2.gz LBWJBXBYETUVPI-INIZCTEOSA-N 0 1 415.559 4.038 20 0 HIADMN COc1cc([C@H](C)NCc2cccc(NC(=O)c3ccccn3)c2)cc(OC)c1OC ZINC000480894931 896252956 /nfs/dbraw/zinc/25/29/56/896252956.db2.gz HAFJCZYZMAKIIX-INIZCTEOSA-N 0 1 421.497 4.211 20 0 HIADMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)c1 ZINC000480899267 896254719 /nfs/dbraw/zinc/25/47/19/896254719.db2.gz OSGZBXCVPAXIRO-MRXNPFEDSA-N 0 1 414.456 4.282 20 0 HIADMN COc1ccc2oc([C@@H](C)NCc3cccc(NC(=O)Cn4cccn4)c3)c(C)c2c1 ZINC000480902134 896256862 /nfs/dbraw/zinc/25/68/62/896256862.db2.gz BMDCASAXFNSYQI-QGZVFWFLSA-N 0 1 418.497 4.436 20 0 HIADMN COC[C@H](NCc1ccc(CN2CCCC2=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000480903437 896259307 /nfs/dbraw/zinc/25/93/07/896259307.db2.gz DUYWDDBAKNFKMZ-FQEVSTJZSA-N 0 1 406.448 4.305 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CCCn2c(cc3ccccc32)C1 ZINC000480966656 896306329 /nfs/dbraw/zinc/30/63/29/896306329.db2.gz DBIDPYKSGBHIOF-UHFFFAOYSA-N 0 1 420.532 4.360 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C(F)(F)F)cc2Br)n[nH]1 ZINC000480978735 896315369 /nfs/dbraw/zinc/31/53/69/896315369.db2.gz KGZWOLDEVRMWMS-QMMMGPOBSA-N 0 1 405.218 4.252 20 0 HIADMN COc1ccc2oc([C@H](C)NCc3cccc(S(=O)(=O)NC(C)C)c3)c(C)c2c1 ZINC000481028336 896356159 /nfs/dbraw/zinc/35/61/59/896356159.db2.gz XAZYPTCFBUYILM-INIZCTEOSA-N 0 1 416.543 4.287 20 0 HIADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(SC3CCCC3)cc2)c1 ZINC000481031675 896359424 /nfs/dbraw/zinc/35/94/24/896359424.db2.gz CMWOZCUGUYUNCH-MRXNPFEDSA-N 0 1 404.601 4.480 20 0 HIADMN COCCOc1ccccc1CN[C@H]1CCCOc2ccc(Br)cc21 ZINC000481034048 896360607 /nfs/dbraw/zinc/36/06/07/896360607.db2.gz GTEZZDNDZCSQBN-SFHVURJKSA-N 0 1 406.320 4.478 20 0 HIADMN CC(C)NS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(Br)s2)c1 ZINC000481035741 896362193 /nfs/dbraw/zinc/36/21/93/896362193.db2.gz IPEWBRPPJZDGRU-GFCCVEGCSA-N 0 1 417.394 4.048 20 0 HIADMN CNS(=O)(=O)c1cccc(CN[C@@H](C)c2sc(-c3ccccc3F)nc2C)c1 ZINC000481046186 896369934 /nfs/dbraw/zinc/36/99/34/896369934.db2.gz YQHOKYKYYYQTJM-ZDUSSCGKSA-N 0 1 419.547 4.017 20 0 HIADMN CC(C)NS(=O)(=O)c1cccc(CN[C@@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000481052713 896377232 /nfs/dbraw/zinc/37/72/32/896377232.db2.gz QPBCPJXLSQAWKS-SFHVURJKSA-N 0 1 409.555 4.286 20 0 HIADMN Cc1ccc(C(=O)CCN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000481070318 896391069 /nfs/dbraw/zinc/39/10/69/896391069.db2.gz LNAXSOMNPSJGSR-HXUWFJFHSA-N 0 1 408.546 4.299 20 0 HIADMN CC(C)OC(=O)C[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000481080724 896401117 /nfs/dbraw/zinc/40/11/17/896401117.db2.gz YUHVUZFRAGTYNV-KRWDZBQOSA-N 0 1 416.319 4.498 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C[C@H]3CCc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000481117090 896442504 /nfs/dbraw/zinc/44/25/04/896442504.db2.gz NUFPICCZXIBIJK-MZKRTTBSSA-N 0 1 406.570 4.107 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)n2)cc1 ZINC000481146803 896475016 /nfs/dbraw/zinc/47/50/16/896475016.db2.gz SHDRREXAJPLAJL-CTNGQTDRSA-N 0 1 422.554 4.156 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3NC(C)=O)[nH]n2)cc1 ZINC000481149283 896477572 /nfs/dbraw/zinc/47/75/72/896477572.db2.gz XJWBGGAKTOVBSY-UHFFFAOYSA-N 0 1 418.375 4.315 20 0 HIADMN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c2cccnc12 ZINC000481151191 896482627 /nfs/dbraw/zinc/48/26/27/896482627.db2.gz BFTDIOXJAPVQFN-UHFFFAOYSA-N 0 1 405.483 4.068 20 0 HIADMN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c(C)c1 ZINC000481151801 896482765 /nfs/dbraw/zinc/48/27/65/896482765.db2.gz CRZLSSJNNSOEBF-OAHLLOKOSA-N 0 1 406.486 4.174 20 0 HIADMN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c(C)c1 ZINC000481159933 896493392 /nfs/dbraw/zinc/49/33/92/896493392.db2.gz YMZXJURZZXKZKM-OAHLLOKOSA-N 0 1 406.486 4.174 20 0 HIADMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2ccccc2OCCN2CCOCC2)c1 ZINC000481186579 896534088 /nfs/dbraw/zinc/53/40/88/896534088.db2.gz DQDUMTHWYHTGFK-GOSISDBHSA-N 0 1 420.500 4.158 20 0 HIADMN C[C@H](NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1cccc(F)c1 ZINC000481188539 896536622 /nfs/dbraw/zinc/53/66/22/896536622.db2.gz ZFPGWDSZOXMKBV-INIZCTEOSA-N 0 1 416.493 4.294 20 0 HIADMN Cc1ccc(-c2noc(CCCN3CCc4c(ncn4-c4ccccc4)C3)n2)cc1F ZINC000481240207 896590257 /nfs/dbraw/zinc/59/02/57/896590257.db2.gz RMOJWANFUSEFSD-UHFFFAOYSA-N 0 1 417.488 4.361 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3nc4ccc(C)cc4[nH]3)[nH]n2)cc1 ZINC000481245915 896596753 /nfs/dbraw/zinc/59/67/53/896596753.db2.gz LGEGCHMKGFXUHC-NRFANRHFSA-N 0 1 401.470 4.247 20 0 HIADMN C[C@H](NCCCS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1OC(F)F ZINC000481245474 896597189 /nfs/dbraw/zinc/59/71/89/896597189.db2.gz HFQLKPBQQAERHS-ZDUSSCGKSA-N 0 1 403.878 4.456 20 0 HIADMN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000481282252 896628732 /nfs/dbraw/zinc/62/87/32/896628732.db2.gz GAXLNORYZFKABJ-JOCHJYFZSA-N 0 1 415.497 4.432 20 0 HIADMN Cc1sc2ncnc(N3CCC(C(=O)Nc4cc5cn[nH]c5cc4C)CC3)c2c1C ZINC000481296757 896641683 /nfs/dbraw/zinc/64/16/83/896641683.db2.gz USVIVFWBFDQARV-UHFFFAOYSA-N 0 1 420.542 4.348 20 0 HIADMN CC(C)CN(CC(=O)Nc1ccnn1Cc1cccs1)[C@@H]1CCCc2cccnc21 ZINC000481311122 896658747 /nfs/dbraw/zinc/65/87/47/896658747.db2.gz KSNBLYVEOZKZHK-HXUWFJFHSA-N 0 1 423.586 4.362 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)N[C@H](C)C(=O)Nc1ccccc1)c1ccccc1Cl ZINC000481310345 896658976 /nfs/dbraw/zinc/65/89/76/896658976.db2.gz CIVIIYOWCILMLD-UZLBHIALSA-N 0 1 416.953 4.049 20 0 HIADMN COC[C@@H](NCc1cccc(CN2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000481312670 896659924 /nfs/dbraw/zinc/65/99/24/896659924.db2.gz MMPLPKUIQVMEFA-OAQYLSRUSA-N 0 1 408.464 4.015 20 0 HIADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000481314189 896662330 /nfs/dbraw/zinc/66/23/30/896662330.db2.gz WCDCLEOOTFYDLU-OAHLLOKOSA-N 0 1 416.319 4.468 20 0 HIADMN COCCOc1cccc(CN[C@H]2CCCOc3ccc(Br)cc32)c1 ZINC000481314890 896665131 /nfs/dbraw/zinc/66/51/31/896665131.db2.gz DMNRCSPITXTQHU-IBGZPJMESA-N 0 1 406.320 4.478 20 0 HIADMN CC[C@@H](NCc1cccc(OCC(=O)N(C)C)c1)c1ccccc1Br ZINC000481331202 896691350 /nfs/dbraw/zinc/69/13/50/896691350.db2.gz FQWIOPSAQYXVJT-LJQANCHMSA-N 0 1 405.336 4.157 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000481339693 896704948 /nfs/dbraw/zinc/70/49/48/896704948.db2.gz NHKOFTVCIPBCGI-LJQANCHMSA-N 0 1 419.312 4.190 20 0 HIADMN CCn1c(SCC(=O)Nc2cc3cn[nH]c3cc2C)nnc1-c1cccc(C)c1 ZINC000481361049 896741374 /nfs/dbraw/zinc/74/13/74/896741374.db2.gz WMKCJZBEIKWEFO-UHFFFAOYSA-N 0 1 406.515 4.189 20 0 HIADMN O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000481370899 896761733 /nfs/dbraw/zinc/76/17/33/896761733.db2.gz OACDPGPAADMWNF-IAGOWNOFSA-N 0 1 421.467 4.482 20 0 HIADMN Cc1nc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1Br ZINC000481378362 896774147 /nfs/dbraw/zinc/77/41/47/896774147.db2.gz UVCUKQPYDCJIAA-HNNXBMFYSA-N 0 1 407.312 4.094 20 0 HIADMN CC[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1cc(Cl)ccc1OC ZINC000481398251 896804991 /nfs/dbraw/zinc/80/49/91/896804991.db2.gz DERWVBZLDPSRRO-QFIPXVFZSA-N 0 1 418.965 4.301 20 0 HIADMN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000481406908 896812310 /nfs/dbraw/zinc/81/23/10/896812310.db2.gz QIHFDVHFBDMXAO-VFNWGFHPSA-N 0 1 404.551 4.316 20 0 HIADMN C[C@H](CC(=O)Nc1cccc(Br)c1)NCC(=O)Nc1ccc(Cl)cc1 ZINC000481408167 896813707 /nfs/dbraw/zinc/81/37/07/896813707.db2.gz RODABLVFGMMVIA-GFCCVEGCSA-N 0 1 424.726 4.048 20 0 HIADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000481415831 896819699 /nfs/dbraw/zinc/81/96/99/896819699.db2.gz XOQBQTJZHYYZCA-WNSKOXEYSA-N 0 1 411.933 4.072 20 0 HIADMN C[C@@H](N[C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000481417160 896820934 /nfs/dbraw/zinc/82/09/34/896820934.db2.gz IYFAIKOFOPYEGF-CVEARBPZSA-N 0 1 409.921 4.459 20 0 HIADMN CN(CCCN(C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)Cc1ccco1 ZINC000481486269 896868390 /nfs/dbraw/zinc/86/83/90/896868390.db2.gz OADVJILYIBRPRG-QGZVFWFLSA-N 0 1 419.394 4.325 20 0 HIADMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccccc1Br ZINC000481488117 896869137 /nfs/dbraw/zinc/86/91/37/896869137.db2.gz VXUNBRXBEYCYBU-SGTLLEGYSA-N 0 1 411.727 4.407 20 0 HIADMN O=C(CN1CCC[C@H](c2ccc(F)cc2)CC1)NCC1(c2ccccc2)CCOCC1 ZINC000481489947 896869967 /nfs/dbraw/zinc/86/99/67/896869967.db2.gz YHXITPNEDPFYBI-NRFANRHFSA-N 0 1 424.560 4.260 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3nc4cc(Cl)ccc4n3C)n2)cc1 ZINC000481520412 896886300 /nfs/dbraw/zinc/88/63/00/896886300.db2.gz PHKXQOCAEJQTEP-UHFFFAOYSA-N 0 1 412.906 4.051 20 0 HIADMN CN(C[C@H]1CCCC[C@H]1O)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000481528871 896890908 /nfs/dbraw/zinc/89/09/08/896890908.db2.gz OPFKQTJCSOPPFN-QMTHXVAHSA-N 0 1 420.382 4.232 20 0 HIADMN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000481528869 896891144 /nfs/dbraw/zinc/89/11/44/896891144.db2.gz OPFKQTJCSOPPFN-HZMBPMFUSA-N 0 1 420.382 4.232 20 0 HIADMN Cc1ccc(OC(F)F)c([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000481539959 896898757 /nfs/dbraw/zinc/89/87/57/896898757.db2.gz ZHVIXRRBNJIGOG-LPHOPBHVSA-N 0 1 418.484 4.356 20 0 HIADMN C[C@H](NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(Cl)sc1Cl ZINC000481539844 896898980 /nfs/dbraw/zinc/89/89/80/896898980.db2.gz DYXAFJWROXOPJJ-JQWIXIFHSA-N 0 1 415.342 4.030 20 0 HIADMN Cc1ccc(OC(F)F)c([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000481539956 896899184 /nfs/dbraw/zinc/89/91/84/896899184.db2.gz ZHVIXRRBNJIGOG-APWZRJJASA-N 0 1 418.484 4.356 20 0 HIADMN Cc1cc2c(cc1C)[C@@H](NCc1cccc(C(=O)NC[C@@H]3CCCO3)c1)CCCO2 ZINC000481551438 896920663 /nfs/dbraw/zinc/92/06/63/896920663.db2.gz ZPOLCVKFKYWNAO-GMAHTHKFSA-N 0 1 408.542 4.216 20 0 HIADMN CCCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000481553612 896923681 /nfs/dbraw/zinc/92/36/81/896923681.db2.gz CVGJOBUQNAEXBO-UHFFFAOYSA-N 0 1 402.498 4.014 20 0 HIADMN C[C@@H](NCc1ccc(Oc2cccnc2)c(F)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000481554334 896926038 /nfs/dbraw/zinc/92/60/38/896926038.db2.gz APGFXLDMSXSAIQ-CQSZACIVSA-N 0 1 418.465 4.406 20 0 HIADMN O=C(NC[C@@H]1CCCO1)c1cccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000481557083 896927597 /nfs/dbraw/zinc/92/75/97/896927597.db2.gz LCOOPUJOVRSYKA-RBBKRZOGSA-N 0 1 406.526 4.132 20 0 HIADMN C[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc(C(F)(F)F)c1 ZINC000481559304 896933199 /nfs/dbraw/zinc/93/31/99/896933199.db2.gz SSNDQOBCYQUSLA-FOIQADDNSA-N 0 1 406.448 4.465 20 0 HIADMN CCN(CC)C(=O)Nc1ccc([C@@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1 ZINC000481560494 896935062 /nfs/dbraw/zinc/93/50/62/896935062.db2.gz XAVZAKGITRUROI-GCJKJVERSA-N 0 1 410.562 4.431 20 0 HIADMN O=C(Nc1cccc(CN[C@H]2CCCOc3ccc(Cl)cc32)c1)[C@H]1CCCO1 ZINC000481561927 896938373 /nfs/dbraw/zinc/93/83/73/896938373.db2.gz BGBKYMWNWWFQFM-PZJWPPBQSA-N 0 1 400.906 4.461 20 0 HIADMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2OC)c2ccccc12 ZINC000481599104 896978127 /nfs/dbraw/zinc/97/81/27/896978127.db2.gz VYBUXGGEGSDHAN-UHFFFAOYSA-N 0 1 417.483 4.065 20 0 HIADMN COC(=O)c1sc2ccccc2c1CN1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000481628927 897012484 /nfs/dbraw/zinc/01/24/84/897012484.db2.gz TZJLZCYFZMQBDS-UHFFFAOYSA-N 0 1 413.514 4.397 20 0 HIADMN COc1ccc(Cc2nc(C)c([C@H](C)NCc3c(C)nn(C)c3C)s2)cc1OC ZINC000481635740 897020765 /nfs/dbraw/zinc/02/07/65/897020765.db2.gz JJSDFCURCVCNLV-AWEZNQCLSA-N 0 1 414.575 4.261 20 0 HIADMN O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000481639944 897024575 /nfs/dbraw/zinc/02/45/75/897024575.db2.gz JWJGIGWIEGZAOV-HXUWFJFHSA-N 0 1 414.444 4.045 20 0 HIADMN O=C(c1ccc(-c2cncnc2)cc1F)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000481639944 897024590 /nfs/dbraw/zinc/02/45/90/897024590.db2.gz JWJGIGWIEGZAOV-HXUWFJFHSA-N 0 1 414.444 4.045 20 0 HIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(-c2cncnc2)cc1F ZINC000481677646 897060103 /nfs/dbraw/zinc/06/01/03/897060103.db2.gz LHOCGAXQIQPSFU-UHFFFAOYSA-N 0 1 401.323 4.430 20 0 HIADMN Cc1cccc2nc(CCC(=O)N(C)Cc3ccc(F)cc3Br)[nH]c21 ZINC000481683690 897067474 /nfs/dbraw/zinc/06/74/74/897067474.db2.gz JWLLLMMYSBSSTL-UHFFFAOYSA-N 0 1 404.283 4.364 20 0 HIADMN COc1cc(C)c(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000481692243 897077633 /nfs/dbraw/zinc/07/76/33/897077633.db2.gz PTXVJDJOZCDGQT-CALCHBBNSA-N 0 1 415.509 4.074 20 0 HIADMN Cc1c([C@H](C)NCCCOC2CCCC2)nnn1-c1cccc(Br)c1 ZINC000481722510 897117947 /nfs/dbraw/zinc/11/79/47/897117947.db2.gz JCNSZDAJYFRWOA-AWEZNQCLSA-N 0 1 407.356 4.338 20 0 HIADMN Cc1ccc2nc(CN[C@H](c3cc(F)cc(Br)c3)C3CC3)cc(=O)n2c1 ZINC000481732927 897127084 /nfs/dbraw/zinc/12/70/84/897127084.db2.gz YACWCVHJNWGJAT-FQEVSTJZSA-N 0 1 416.294 4.145 20 0 HIADMN CCCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000481740619 897135115 /nfs/dbraw/zinc/13/51/15/897135115.db2.gz NACNZPRNCLQALB-FCHUYYIVSA-N 0 1 416.610 4.194 20 0 HIADMN COc1ccccc1NC(=O)CN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481748557 897140452 /nfs/dbraw/zinc/14/04/52/897140452.db2.gz UOVVAQAXDDGWON-LJQANCHMSA-N 0 1 407.283 4.276 20 0 HIADMN COc1ccccc1NC(=O)CN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481748556 897140770 /nfs/dbraw/zinc/14/07/70/897140770.db2.gz UOVVAQAXDDGWON-IBGZPJMESA-N 0 1 407.283 4.276 20 0 HIADMN CC(C)Cc1ccc([C@@H](NC(=O)N2CCC[C@H](CN3CCOCC3)C2)C(C)C)cc1 ZINC000481754696 897143868 /nfs/dbraw/zinc/14/38/68/897143868.db2.gz LVWJSCFISQJRLJ-VWNXMTODSA-N 0 1 415.622 4.336 20 0 HIADMN Cc1nc(C)c([C@H](C)N(C)C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)s1 ZINC000481770244 897155247 /nfs/dbraw/zinc/15/52/47/897155247.db2.gz WKWUKNVDDPIANR-ZDUSSCGKSA-N 0 1 401.561 4.165 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3cc(F)ccc3OC[C@@H]3CCCO3)[nH]n2)cc1 ZINC000481779044 897162221 /nfs/dbraw/zinc/16/22/21/897162221.db2.gz JVMRBHJJVXXYQS-KRWDZBQOSA-N 0 1 411.433 4.035 20 0 HIADMN C[C@@H]1CN(C2CCN(C(=O)c3sc(C4CC4)nc3-c3ccccc3)CC2)CCO1 ZINC000481804954 897182249 /nfs/dbraw/zinc/18/22/49/897182249.db2.gz ICLTWIKQBJJHLE-MRXNPFEDSA-N 0 1 411.571 4.013 20 0 HIADMN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000481847290 897214073 /nfs/dbraw/zinc/21/40/73/897214073.db2.gz PJMYGHQRUSARLZ-LLVKDONJSA-N 0 1 403.255 4.191 20 0 HIADMN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(CN2CCSCC2)cc1 ZINC000481867672 897237499 /nfs/dbraw/zinc/23/74/99/897237499.db2.gz MPGUFZSGCGIFEU-LJQANCHMSA-N 0 1 408.489 4.139 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc1Cl ZINC000481882371 897254512 /nfs/dbraw/zinc/25/45/12/897254512.db2.gz LHMGODPFQYITTD-UHFFFAOYSA-N 0 1 401.875 4.097 20 0 HIADMN CCOCCOCc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c1C ZINC000481886361 897260935 /nfs/dbraw/zinc/26/09/35/897260935.db2.gz AYNIMUFGXOVSQK-UHFFFAOYSA-N 0 1 409.486 4.199 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)c1ccc([C@H]2CCCOC2)cc1)N1CCCC1 ZINC000505470468 914144802 /nfs/dbraw/zinc/14/48/02/914144802.db2.gz BBLIGSVUKDDWBD-GMAHTHKFSA-N 0 1 408.542 4.156 20 0 HIADMN COC(=O)c1ccccc1-c1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)o1 ZINC000481914327 897297628 /nfs/dbraw/zinc/29/76/28/897297628.db2.gz KJPZDRKFFOEFSE-UHFFFAOYSA-N 0 1 418.493 4.128 20 0 HIADMN CC[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481917768 897301442 /nfs/dbraw/zinc/30/14/42/897301442.db2.gz ZGFZCPVYEJFCAT-INIZCTEOSA-N 0 1 418.893 4.090 20 0 HIADMN O=C(CNC1(c2ccc(C(F)(F)F)cc2)CCCC1)N1CC(=O)Nc2ccccc21 ZINC000505472354 914146417 /nfs/dbraw/zinc/14/64/17/914146417.db2.gz SBKHWOZAOOWVLV-UHFFFAOYSA-N 0 1 417.431 4.050 20 0 HIADMN COc1ccc(Cl)cc1N1CC[C@H](N[C@@H](C)c2nnn(-c3ccccc3)c2C)C1 ZINC000481934843 897319597 /nfs/dbraw/zinc/31/95/97/897319597.db2.gz LFSASHOFUVNFFO-YJBOKZPZSA-N 0 1 411.937 4.167 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)n[nH]1 ZINC000481950008 897337938 /nfs/dbraw/zinc/33/79/38/897337938.db2.gz ANEHMXGCBZVXHO-NSHDSACASA-N 0 1 407.400 4.015 20 0 HIADMN NC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000481957810 897346878 /nfs/dbraw/zinc/34/68/78/897346878.db2.gz NMHSHWGZEWDVBB-UHFFFAOYSA-N 0 1 420.849 4.171 20 0 HIADMN COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000481959636 897348587 /nfs/dbraw/zinc/34/85/87/897348587.db2.gz RQCFUQXAQDVIJM-UHFFFAOYSA-N 0 1 424.906 4.009 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000481978312 897372877 /nfs/dbraw/zinc/37/28/77/897372877.db2.gz CWHQCYNEPYAFNS-UHFFFAOYSA-N 0 1 407.539 4.213 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)C[C@@H](C)Cc3ccccc3OC)CCN2C2CC2)c1 ZINC000481991243 897386307 /nfs/dbraw/zinc/38/63/07/897386307.db2.gz RAXDKNUCNCVBEC-YPAAYVHUSA-N 0 1 422.569 4.367 20 0 HIADMN CC(C)c1c(C(=O)NCCN(C)Cc2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000481998087 897393253 /nfs/dbraw/zinc/39/32/53/897393253.db2.gz HOUORLVJSPMKPH-UHFFFAOYSA-N 0 1 412.484 4.136 20 0 HIADMN CN(CCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)Cc1ccc(F)cc1 ZINC000482002467 897399544 /nfs/dbraw/zinc/39/95/44/897399544.db2.gz XZPLINRPKJSVHZ-UHFFFAOYSA-N 0 1 410.493 4.035 20 0 HIADMN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCN(C)Cc2ccc(F)cc2)c1 ZINC000482004694 897400778 /nfs/dbraw/zinc/40/07/78/897400778.db2.gz IWUAEQFYKZWVNB-UHFFFAOYSA-N 0 1 419.928 4.326 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)Cc3ccc(F)cc3Cl)CCN2C2CC2)c1 ZINC000482004248 897400832 /nfs/dbraw/zinc/40/08/32/897400832.db2.gz AONZYEQUYWGZAK-IRLDBZIGSA-N 0 1 402.897 4.124 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)c3cc(F)c(F)cc3Cl)CCN2C2CC2)c1 ZINC000482011254 897410904 /nfs/dbraw/zinc/41/09/04/897410904.db2.gz MNDNPDAXOOGBGJ-PMACEKPBSA-N 0 1 406.860 4.335 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)Cc3c[nH]c4cc(Cl)ccc34)CCN2C2CC2)c1 ZINC000482012882 897412695 /nfs/dbraw/zinc/41/26/95/897412695.db2.gz NUEBZUKGAGJMLK-ZJSXRUAMSA-N 0 1 423.944 4.467 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)Cc3c[nH]c4cc(Cl)ccc34)CCN2C2CC2)c1 ZINC000482012879 897413051 /nfs/dbraw/zinc/41/30/51/897413051.db2.gz NUEBZUKGAGJMLK-XUZZJYLKSA-N 0 1 423.944 4.467 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CCN2C2CC2)c1 ZINC000482014765 897414273 /nfs/dbraw/zinc/41/42/73/897414273.db2.gz FCFPQWSDMULRNH-ICSRJNTNSA-N 0 1 419.447 4.125 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc4nc(C)ccc4c3)CCN2C2CC2)c1 ZINC000482013656 897414668 /nfs/dbraw/zinc/41/46/68/897414668.db2.gz OIUPTJPPLHMFTL-RPWUZVMVSA-N 0 1 401.510 4.260 20 0 HIADMN COc1ccc(CN[C@H](C)c2ccc(OC)c(NC(C)=O)c2)cc1Br ZINC000482019327 897422896 /nfs/dbraw/zinc/42/28/96/897422896.db2.gz VMCPFCLUJYQXMC-GFCCVEGCSA-N 0 1 407.308 4.276 20 0 HIADMN COC(=O)c1ccccc1-c1ccc(CN[C@@H](C)c2ccc(-n3ccnn3)cc2)o1 ZINC000482027288 897434051 /nfs/dbraw/zinc/43/40/51/897434051.db2.gz CLRZGFQJCZEVFE-INIZCTEOSA-N 0 1 402.454 4.165 20 0 HIADMN CCCC[C@H](N[C@@H]1CCCc2c1cnn2C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000482031351 897441647 /nfs/dbraw/zinc/44/16/47/897441647.db2.gz JNLTZNKQILSQAH-YADHBBJMSA-N 0 1 409.578 4.185 20 0 HIADMN CCOc1ccccc1CCC(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000482045880 897467627 /nfs/dbraw/zinc/46/76/27/897467627.db2.gz UAJDILHXPREABJ-DHLKQENFSA-N 0 1 408.542 4.121 20 0 HIADMN CCOc1ccccc1CCC(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000482045883 897467919 /nfs/dbraw/zinc/46/79/19/897467919.db2.gz UAJDILHXPREABJ-RDGATRHJSA-N 0 1 408.542 4.121 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)Cc3csc(-c4ccoc4)n3)CCN2C2CC2)c1 ZINC000482049870 897474473 /nfs/dbraw/zinc/47/44/73/897474473.db2.gz OHCRIUBSJPZXQS-UNMCSNQZSA-N 0 1 423.538 4.048 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)CCCOCc3ccccc3)CCN2C2CC2)c1 ZINC000482071336 897507402 /nfs/dbraw/zinc/50/74/02/897507402.db2.gz GPTCMGAGXZSDNL-UKILVPOCSA-N 0 1 408.542 4.086 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3C[C@@H]3c3c(F)cccc3Cl)n2)cc1 ZINC000482086832 897527568 /nfs/dbraw/zinc/52/75/68/897527568.db2.gz FYDRAVYOEMJOKZ-BBRMVZONSA-N 0 1 416.909 4.337 20 0 HIADMN O=C(CCc1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000482086788 897527706 /nfs/dbraw/zinc/52/77/06/897527706.db2.gz FNJJNGSDWYIHPD-GOSISDBHSA-N 0 1 405.336 4.318 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000505485468 914168062 /nfs/dbraw/zinc/16/80/62/914168062.db2.gz BWKYYAJRLKNANF-UHFFFAOYSA-N 0 1 405.285 4.036 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 ZINC000505485468 914168068 /nfs/dbraw/zinc/16/80/68/914168068.db2.gz BWKYYAJRLKNANF-UHFFFAOYSA-N 0 1 405.285 4.036 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)CCc3ccnc4ccccc34)CCN2C2CC2)c1 ZINC000482103492 897552712 /nfs/dbraw/zinc/55/27/12/897552712.db2.gz NLDQIHLLFAACPL-AZGAKELHSA-N 0 1 415.537 4.270 20 0 HIADMN COc1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C(F)(F)F)c1 ZINC000482103549 897552748 /nfs/dbraw/zinc/55/27/48/897552748.db2.gz MOVFFKWVPXDUOG-NSHDSACASA-N 0 1 405.413 4.107 20 0 HIADMN CC[C@H](NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000482104743 897553957 /nfs/dbraw/zinc/55/39/57/897553957.db2.gz FWWSSQYGCIGREZ-PXNSSMCTSA-N 0 1 406.313 4.289 20 0 HIADMN COc1ccc(CN[C@H]2CCc3c2cc(Br)cc3F)cc1NC(C)=O ZINC000482122562 897577813 /nfs/dbraw/zinc/57/78/13/897577813.db2.gz OAMVUWGUAUBTMH-KRWDZBQOSA-N 0 1 407.283 4.332 20 0 HIADMN COc1ccc(CN[C@@H]2CCCOc3c(Br)cccc32)cc1NC(C)=O ZINC000482128703 897586238 /nfs/dbraw/zinc/58/62/38/897586238.db2.gz RASRAGKVGOEBHW-QGZVFWFLSA-N 0 1 419.319 4.420 20 0 HIADMN CCO[C@H]1C[C@@H](NCc2csc(CC(=O)Nc3ccccc3)n2)C1(CC)CC ZINC000482134768 897592470 /nfs/dbraw/zinc/59/24/70/897592470.db2.gz CJOPILNHQGAFIC-MOPGFXCFSA-N 0 1 401.576 4.398 20 0 HIADMN COc1cccc(-c2cc(C(=O)N3C[C@H](c4ccccc4Cl)OC[C@@H]3C)n[nH]2)c1 ZINC000482169539 897634751 /nfs/dbraw/zinc/63/47/51/897634751.db2.gz JREOTTODQVKNRC-LHSJRXKWSA-N 0 1 411.889 4.341 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(CN(C(C)=O)C(C)C)cc3)[nH]n2)c1 ZINC000482189531 897661150 /nfs/dbraw/zinc/66/11/50/897661150.db2.gz ASIHIQDSXCTRNY-UHFFFAOYSA-N 0 1 406.486 4.095 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(CN(C(C)=O)C(C)C)cc3)[nH]n2)cc1 ZINC000482193483 897666005 /nfs/dbraw/zinc/66/60/05/897666005.db2.gz PEOCAXKIMQZRTF-UHFFFAOYSA-N 0 1 406.486 4.095 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](c3ccc(F)cc3)C(F)(F)F)n2)cc1 ZINC000482213154 897693018 /nfs/dbraw/zinc/69/30/18/897693018.db2.gz OIFHKTYTBDDHCP-MRXNPFEDSA-N 0 1 424.423 4.431 20 0 HIADMN COC(=O)c1ccc(-c2ccc(CNCc3ccc(CN4CCCC4=O)cc3)o2)cc1 ZINC000482213549 897694831 /nfs/dbraw/zinc/69/48/31/897694831.db2.gz RZFRTHBUZZLQLY-UHFFFAOYSA-N 0 1 418.493 4.145 20 0 HIADMN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(CN2CCSCC2)cc1 ZINC000482225681 897704224 /nfs/dbraw/zinc/70/42/24/897704224.db2.gz LVVGQDUFJCPPPT-ROUUACIJSA-N 0 1 400.510 4.334 20 0 HIADMN COC(=O)c1ccc(COc2ccc(CNCc3ccc(F)cc3F)cc2OC)o1 ZINC000482225776 897704358 /nfs/dbraw/zinc/70/43/58/897704358.db2.gz UCRXXPLCKLGKKU-UHFFFAOYSA-N 0 1 417.408 4.222 20 0 HIADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@H](C)c2oc3ccc(OC)cc3c2C)c1 ZINC000482232561 897713466 /nfs/dbraw/zinc/71/34/66/897713466.db2.gz AERUJYVAIHWKAN-LSDHHAIUSA-N 0 1 402.516 4.070 20 0 HIADMN CC(C)COc1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000482270811 897757220 /nfs/dbraw/zinc/75/72/20/897757220.db2.gz SIMXTYXRGPABQD-MSOLQXFVSA-N 0 1 404.576 4.384 20 0 HIADMN CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H](C)c2csc(-c3csc(C)n3)c2)c1 ZINC000482276007 897766105 /nfs/dbraw/zinc/76/61/05/897766105.db2.gz YKPPUWMPXIRNFP-OLZOCXBDSA-N 0 1 421.613 4.500 20 0 HIADMN Cc1c(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cnn1-c1ccccc1Cl ZINC000482283534 897776420 /nfs/dbraw/zinc/77/64/20/897776420.db2.gz CERCXANEEBNVFA-MRXNPFEDSA-N 0 1 408.933 4.011 20 0 HIADMN O=c1cc2c(n[nH]1)CCN(Cc1ccc(-c3cccc(Br)c3)s1)C2 ZINC000482293327 897789985 /nfs/dbraw/zinc/78/99/85/897789985.db2.gz RPQHJOWKTVQCNA-UHFFFAOYSA-N 0 1 402.317 4.232 20 0 HIADMN COc1cc([C@H](C)NC(=O)N[C@H]2CCCc3cn[nH]c32)ccc1OCCC(C)C ZINC000482301999 897798729 /nfs/dbraw/zinc/79/87/29/897798729.db2.gz BAUYKYBKDXVPPV-YJBOKZPZSA-N 0 1 400.523 4.281 20 0 HIADMN Cc1ccccc1-n1cc(C(=O)Nc2cccc(CN3CCSCC3)c2C)cn1 ZINC000482305868 897803498 /nfs/dbraw/zinc/80/34/98/897803498.db2.gz TZTFZSGWZHQLIP-UHFFFAOYSA-N 0 1 406.555 4.290 20 0 HIADMN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)N[C@H]1CCCc2cn[nH]c21 ZINC000482320077 897819532 /nfs/dbraw/zinc/81/95/32/897819532.db2.gz RSTGLUWOLJBMLL-GXTWGEPZSA-N 0 1 406.330 4.409 20 0 HIADMN CN(C)Cc1ccnc(NC(=O)c2csc(-c3cc(Br)cs3)n2)c1 ZINC000482354006 897869065 /nfs/dbraw/zinc/86/90/65/897869065.db2.gz RHNCTICGSOQEMP-UHFFFAOYSA-N 0 1 423.361 4.343 20 0 HIADMN CN(C)Cc1ccnc(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000482360621 897878083 /nfs/dbraw/zinc/87/80/83/897878083.db2.gz PMAFKXOXXZWPHL-UHFFFAOYSA-N 0 1 414.303 4.076 20 0 HIADMN CN(C)Cc1ccnc(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c1 ZINC000482366409 897885274 /nfs/dbraw/zinc/88/52/74/897885274.db2.gz MFGGWWKFCGUMNX-UHFFFAOYSA-N 0 1 408.449 4.343 20 0 HIADMN CCCc1c(C(=O)Nc2cc(CN(C)C)ccn2)nnn1-c1cccc(C(C)C)c1 ZINC000482369403 897890018 /nfs/dbraw/zinc/89/00/18/897890018.db2.gz RHTWRSLVKRMXMO-UHFFFAOYSA-N 0 1 406.534 4.052 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)n[nH]1 ZINC000482374190 897898261 /nfs/dbraw/zinc/89/82/61/897898261.db2.gz CDJCQWKYRVHNNJ-JOYOIKCWSA-N 0 1 421.370 4.193 20 0 HIADMN CCc1nc([C@H](C)NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)n[nH]1 ZINC000482414168 897959662 /nfs/dbraw/zinc/95/96/62/897959662.db2.gz MQROWJTTWMDDBF-UFBFGSQYSA-N 0 1 409.334 4.050 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)c1ccsc1 ZINC000482418577 897966893 /nfs/dbraw/zinc/96/68/93/897966893.db2.gz VMQMBIWAAUVGIX-DZGCQCFKSA-N 0 1 407.408 4.232 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1F ZINC000482435005 897994513 /nfs/dbraw/zinc/99/45/13/897994513.db2.gz HNRAJTDSPCXCKO-KRWDZBQOSA-N 0 1 419.369 4.268 20 0 HIADMN CCOc1cc(CN2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1OCC(F)(F)F ZINC000482457001 898026588 /nfs/dbraw/zinc/02/65/88/898026588.db2.gz QDCHNISYFSPYNA-HXUWFJFHSA-N 0 1 417.468 4.186 20 0 HIADMN C[C@H](CNC(=O)N[C@H]1CCCc2cn[nH]c21)Sc1ccc(Br)cc1 ZINC000482473845 898049784 /nfs/dbraw/zinc/04/97/84/898049784.db2.gz IJKFLLTYJMMDTP-ABAIWWIYSA-N 0 1 409.353 4.030 20 0 HIADMN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000482489056 898068068 /nfs/dbraw/zinc/06/80/68/898068068.db2.gz JHEDPAOBIPHPGE-HOCLYGCPSA-N 0 1 400.500 4.099 20 0 HIADMN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1nc2ccc(F)cc2[nH]1 ZINC000482491001 898070185 /nfs/dbraw/zinc/07/01/85/898070185.db2.gz QVPKZCKNAWGELI-UHFFFAOYSA-N 0 1 400.866 4.338 20 0 HIADMN Cc1nc(-c2ccccc2)ncc1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000482490919 898070297 /nfs/dbraw/zinc/07/02/97/898070297.db2.gz OUVDFCGLUYLQGX-LJQANCHMSA-N 0 1 400.526 4.189 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(F)ccc3OCC3CC3)n2)cc1 ZINC000482490702 898070406 /nfs/dbraw/zinc/07/04/06/898070406.db2.gz ZLUOFOANOMKBKR-UHFFFAOYSA-N 0 1 412.490 4.439 20 0 HIADMN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000482509488 898092818 /nfs/dbraw/zinc/09/28/18/898092818.db2.gz LZNRUBIRXYGLFV-NSHDSACASA-N 0 1 422.273 4.141 20 0 HIADMN CCCN(CCC)C(=O)c1cccc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000482544760 898133264 /nfs/dbraw/zinc/13/32/64/898133264.db2.gz SECNASXFCKQJAW-FQEVSTJZSA-N 0 1 421.585 4.125 20 0 HIADMN CN(C)[C@H](CNC(=O)NCCc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000482572198 898167272 /nfs/dbraw/zinc/16/72/72/898167272.db2.gz ALPQSSUOCWMIOC-HXUWFJFHSA-N 0 1 412.534 4.094 20 0 HIADMN CC[C@H](CNC(=O)N[C@H]1CCCc2cn[nH]c21)Cc1cccc(Br)c1 ZINC000482593158 898192884 /nfs/dbraw/zinc/19/28/84/898192884.db2.gz BBGBQYCJOCAMSS-GUYCJALGSA-N 0 1 405.340 4.118 20 0 HIADMN CC[C@H](CNC(=O)N[C@@H]1CCCc2cn[nH]c21)Cc1cccc(Br)c1 ZINC000482593543 898194182 /nfs/dbraw/zinc/19/41/82/898194182.db2.gz BBGBQYCJOCAMSS-SUMWQHHRSA-N 0 1 405.340 4.118 20 0 HIADMN COc1ccc(CNc2cc(NC(=O)CN3CCCC[C@@H]3C)ccc2F)cc1OC ZINC000482630610 898233132 /nfs/dbraw/zinc/23/31/32/898233132.db2.gz BVOKSWRJXVIOFT-INIZCTEOSA-N 0 1 415.509 4.268 20 0 HIADMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NCc2ccc3c(c2)OCCO3)c1 ZINC000482639847 898244097 /nfs/dbraw/zinc/24/40/97/898244097.db2.gz WHOHTVJVHWBXQS-MRXNPFEDSA-N 0 1 413.493 4.022 20 0 HIADMN CC[C@H](CN[C@H](C(N)=O)c1ccc(Br)cc1)Oc1ccccc1Cl ZINC000482657455 898261118 /nfs/dbraw/zinc/26/11/18/898261118.db2.gz GKZMDOQHGQWPJC-PBHICJAKSA-N 0 1 411.727 4.076 20 0 HIADMN CCOc1cc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc(Cl)c1OC ZINC000482707260 898307112 /nfs/dbraw/zinc/30/71/12/898307112.db2.gz QWTDTCGTZROGSV-PXNSSMCTSA-N 0 1 424.875 4.087 20 0 HIADMN c1sc(C2CC2)nc1CNc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000482809919 898420226 /nfs/dbraw/zinc/42/02/26/898420226.db2.gz COWVZWLFNLULKM-UHFFFAOYSA-N 0 1 419.598 4.392 20 0 HIADMN C[C@H](c1ccccc1)n1cnnc1SCCCN1CCN(c2ccccc2)CC1 ZINC000505553708 914256961 /nfs/dbraw/zinc/25/69/61/914256961.db2.gz PKFXKTRROSUHMM-HXUWFJFHSA-N 0 1 407.587 4.192 20 0 HIADMN CC(C)CN(C(=O)NC1CCN(Cc2ccncc2)CC1)[C@@H]1CCCc2cccnc21 ZINC000482855640 898465470 /nfs/dbraw/zinc/46/54/70/898465470.db2.gz IJIOLVCYAXGITO-HSZRJFAPSA-N 0 1 421.589 4.186 20 0 HIADMN Cc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000482864931 898476423 /nfs/dbraw/zinc/47/64/23/898476423.db2.gz IVSXSMVSZSGOIX-SFHVURJKSA-N 0 1 402.542 4.350 20 0 HIADMN C[C@@H](NCCC(=O)N(C)Cc1ccccc1Br)c1cc(F)ccc1F ZINC000482887917 898504154 /nfs/dbraw/zinc/50/41/54/898504154.db2.gz LOKZUFJBVOYJDZ-CYBMUJFWSA-N 0 1 411.290 4.427 20 0 HIADMN CCOc1cc(Br)c(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1OCC ZINC000482922610 898540168 /nfs/dbraw/zinc/54/01/68/898540168.db2.gz PBBALUIRAKIENB-ZDUSSCGKSA-N 0 1 423.311 4.169 20 0 HIADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482924000 898543677 /nfs/dbraw/zinc/54/36/77/898543677.db2.gz BXMSDCFHMGJCDA-UXHICEINSA-N 0 1 415.537 4.309 20 0 HIADMN Cc1cc(Cc2cnc(NC(=O)CCc3cnc[nH]3)s2)ccc1Br ZINC000483028548 898689831 /nfs/dbraw/zinc/68/98/31/898689831.db2.gz ZKDUBAMHBZNAEF-UHFFFAOYSA-N 0 1 405.321 4.099 20 0 HIADMN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)N[C@H]2CCCc3cn[nH]c32)n1 ZINC000483039172 898707719 /nfs/dbraw/zinc/70/77/19/898707719.db2.gz BXMVHHBJQDTNEN-HNNXBMFYSA-N 0 1 418.423 4.430 20 0 HIADMN CN(Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000483081899 898764994 /nfs/dbraw/zinc/76/49/94/898764994.db2.gz BHEUECPBALBSTJ-HNNXBMFYSA-N 0 1 417.307 4.193 20 0 HIADMN FC(F)(F)Cn1ccnc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000483092206 898780476 /nfs/dbraw/zinc/78/04/76/898780476.db2.gz XAROOMNGKIUPRZ-UHFFFAOYSA-N 0 1 418.242 4.285 20 0 HIADMN O=C(CN1CC[C@@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000483105406 898799601 /nfs/dbraw/zinc/79/96/01/898799601.db2.gz PIFTUYJBGFFGQI-IFMALSPDSA-N 0 1 424.516 4.140 20 0 HIADMN OC[C@@H](NCCOc1ccccc1Br)c1ccccc1OC(F)(F)F ZINC000483111199 898803020 /nfs/dbraw/zinc/80/30/20/898803020.db2.gz ZWCJZXBZGLRUEH-CQSZACIVSA-N 0 1 420.225 4.050 20 0 HIADMN O=C(CN1CCC(c2cccc(Cl)c2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000483123900 898809909 /nfs/dbraw/zinc/80/99/09/898809909.db2.gz WGOYRKDXQSXKLK-IBGZPJMESA-N 0 1 411.977 4.162 20 0 HIADMN C[C@@H](NCc1cccc(-n2ccnc2)c1)c1ccccc1I ZINC000483127153 898812166 /nfs/dbraw/zinc/81/21/66/898812166.db2.gz MGRRYMZOFNTWJC-CQSZACIVSA-N 0 1 403.267 4.328 20 0 HIADMN CCn1c(CSc2nc(-c3ccc(OC)cc3OC)n[nH]2)nc2c1cccc2F ZINC000483146725 898824964 /nfs/dbraw/zinc/82/49/64/898824964.db2.gz BITZOJYOICZAPA-UHFFFAOYSA-N 0 1 413.478 4.290 20 0 HIADMN COc1ccc(C(=O)CCC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c(Cl)c1 ZINC000505581349 914289772 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O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cccc(COC2CCOCC2)c1 ZINC000485107140 900414142 /nfs/dbraw/zinc/41/41/42/900414142.db2.gz KQWGWSJSLNSRNK-UHFFFAOYSA-N 0 1 418.453 4.166 20 0 HIADMN O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485110528 900418042 /nfs/dbraw/zinc/41/80/42/900418042.db2.gz SOXLZINWOMHULV-UHFFFAOYSA-N 0 1 416.359 4.340 20 0 HIADMN COc1ccc(COCCCC(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1 ZINC000485112474 900418072 /nfs/dbraw/zinc/41/80/72/900418072.db2.gz HUBVWERGKGIMLM-UHFFFAOYSA-N 0 1 406.442 4.162 20 0 HIADMN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1 ZINC000485114068 900419223 /nfs/dbraw/zinc/41/92/23/900419223.db2.gz PPHMNBGMVLVWMZ-UHFFFAOYSA-N 0 1 417.469 4.085 20 0 HIADMN Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)c2c(n1)onc2C(C)C ZINC000485144624 900444353 /nfs/dbraw/zinc/44/43/53/900444353.db2.gz UHOXLBMTJSBCJT-UHFFFAOYSA-N 0 1 402.414 4.438 20 0 HIADMN COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c(Cl)c1 ZINC000505780541 914446564 /nfs/dbraw/zinc/44/65/64/914446564.db2.gz CMXTVRWZOMMDPQ-UHFFFAOYSA-N 0 1 419.268 4.389 20 0 HIADMN C[C@@H](Cc1ccc(O)cc1)N(C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000485212719 900501005 /nfs/dbraw/zinc/50/10/05/900501005.db2.gz WEVBLEUCHLRHDN-INIZCTEOSA-N 0 1 423.538 4.208 20 0 HIADMN CCC[C@H]1CN(C(=O)Nc2cccc(Cl)c2Br)CCN1CCOC ZINC000485217891 900505471 /nfs/dbraw/zinc/50/54/71/900505471.db2.gz LMPCQMZEDCRGGT-ZDUSSCGKSA-N 0 1 418.763 4.067 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C(F)F)cc3)CC2)c1C ZINC000485222436 900508428 /nfs/dbraw/zinc/50/84/28/900508428.db2.gz JIRJQPTYRBQFQH-UHFFFAOYSA-N 0 1 417.500 4.381 20 0 HIADMN CN(C)[C@H](CNC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc(F)cc1 ZINC000485259657 900543362 /nfs/dbraw/zinc/54/33/62/900543362.db2.gz JQZFWRWJLGMWHF-IAGOWNOFSA-N 0 1 401.379 4.170 20 0 HIADMN CC[C@@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1c(C)noc1C ZINC000505795466 914459219 /nfs/dbraw/zinc/45/92/19/914459219.db2.gz KMCLPKHXZQVWKY-HXUWFJFHSA-N 0 1 412.534 4.238 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000485296750 900574712 /nfs/dbraw/zinc/57/47/12/900574712.db2.gz VOSVWBICZNUEID-UHFFFAOYSA-N 0 1 412.509 4.319 20 0 HIADMN CCc1c(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1C ZINC000485327351 900610831 /nfs/dbraw/zinc/61/08/31/900610831.db2.gz FBKLAWCUFVOIIF-QGZVFWFLSA-N 0 1 419.533 4.150 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cccc3cccnc32)c1 ZINC000505796773 914461175 /nfs/dbraw/zinc/46/11/75/914461175.db2.gz QTCOKUBINPLVMP-UHFFFAOYSA-N 0 1 402.498 4.302 20 0 HIADMN Cc1c(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)oc2c1C(=O)CCC2 ZINC000505797688 914462885 /nfs/dbraw/zinc/46/28/85/914462885.db2.gz WKYWZFXZVXWTGJ-UHFFFAOYSA-N 0 1 423.513 4.174 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccc(C)c(Cl)c3)CC2)c1C ZINC000485388810 900685596 /nfs/dbraw/zinc/68/55/96/900685596.db2.gz XNOBHWNZETVUFJ-UHFFFAOYSA-N 0 1 415.965 4.405 20 0 HIADMN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485391744 900687159 /nfs/dbraw/zinc/68/71/59/900687159.db2.gz VYHCAPXULLWBEK-UHFFFAOYSA-N 0 1 415.342 4.488 20 0 HIADMN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2Cl)cccc1C(=O)N1CCCC1 ZINC000485393293 900690684 /nfs/dbraw/zinc/69/06/84/900690684.db2.gz LUEZBHWHZLXVFS-UHFFFAOYSA-N 0 1 413.326 4.339 20 0 HIADMN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1cc(Cl)ccc1Br ZINC000485403160 900700726 /nfs/dbraw/zinc/70/07/26/900700726.db2.gz WOHKXHONJPBTOZ-UHFFFAOYSA-N 0 1 412.696 4.089 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)CCc3ccc(C)cc3)CC2)c1C ZINC000485407852 900706733 /nfs/dbraw/zinc/70/67/33/900706733.db2.gz ORJSEOMATUFAKF-UHFFFAOYSA-N 0 1 409.574 4.071 20 0 HIADMN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(F)ccc1Cl ZINC000485429891 900726335 /nfs/dbraw/zinc/72/63/35/900726335.db2.gz SYGXFTOXCOPUIW-UHFFFAOYSA-N 0 1 420.897 4.265 20 0 HIADMN CCCCS[C@@H](C)C(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000485449280 900744626 /nfs/dbraw/zinc/74/46/26/900744626.db2.gz CSLPIBXYCPEMSN-SFHVURJKSA-N 0 1 407.624 4.052 20 0 HIADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@@H]1CCCCCC(=O)C1 ZINC000485589431 900852285 /nfs/dbraw/zinc/85/22/85/900852285.db2.gz ALCVZCRRAKFMDN-CYBMUJFWSA-N 0 1 424.519 4.166 20 0 HIADMN CC[C@H](C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1)N(C)Cc1ccccc1 ZINC000485595093 900856290 /nfs/dbraw/zinc/85/62/90/900856290.db2.gz WBGUAOTVBBNONI-JOCHJYFZSA-N 0 1 420.488 4.322 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000485621156 900875810 /nfs/dbraw/zinc/87/58/10/900875810.db2.gz NNNVXDUCOFOQLH-UHFFFAOYSA-N 0 1 412.965 4.468 20 0 HIADMN COc1ccc(NC(=O)CCN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1Cl ZINC000485679007 900931505 /nfs/dbraw/zinc/93/15/05/900931505.db2.gz NPAGIMBNTPRVAW-UHFFFAOYSA-N 0 1 418.765 4.494 20 0 HIADMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)[nH]1 ZINC000485710867 900959745 /nfs/dbraw/zinc/95/97/45/900959745.db2.gz OENCBASCUYRVGU-UHFFFAOYSA-N 0 1 423.473 4.109 20 0 HIADMN COc1cc(OC)c(NC(=O)CN[C@@H](C)c2ccc3ncsc3c2)cc1Cl ZINC000485795514 901047586 /nfs/dbraw/zinc/04/75/86/901047586.db2.gz HBSBPXAKOOCEMM-NSHDSACASA-N 0 1 405.907 4.256 20 0 HIADMN NC(=O)c1ccc(-c2nc(CSc3nc(C=Cc4ccccc4)n[nH]3)cs2)cc1 ZINC000505853683 914501332 /nfs/dbraw/zinc/50/13/32/914501332.db2.gz RHYDSVRBAQAHRD-WDZFZDKYSA-N 0 1 419.535 4.490 20 0 HIADMN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CC[C@H](COc2ccccc2)C1 ZINC000505855018 914501432 /nfs/dbraw/zinc/50/14/32/914501432.db2.gz AILHIAVXUQWWER-ROUUACIJSA-N 0 1 409.555 4.044 20 0 HIADMN C[C@@H](N[C@H](C)c1ccc2ncsc2c1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000485816026 901065079 /nfs/dbraw/zinc/06/50/79/901065079.db2.gz RQPPTPYBXUVYRL-HUUCEWRRSA-N 0 1 408.527 4.101 20 0 HIADMN C[C@H](NCc1nc2ccc(Br)cc2n1C)c1ccc(-n2cccn2)cc1 ZINC000485817733 901065932 /nfs/dbraw/zinc/06/59/32/901065932.db2.gz GKUNFUXPSQFDDK-AWEZNQCLSA-N 0 1 410.319 4.372 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000485824703 901071181 /nfs/dbraw/zinc/07/11/81/901071181.db2.gz CMYWQHOBPSABLD-HNNXBMFYSA-N 0 1 419.554 4.066 20 0 HIADMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cccc2c1CC(=O)CC2 ZINC000485840677 901085626 /nfs/dbraw/zinc/08/56/26/901085626.db2.gz KULICJCWKLBMPH-UHFFFAOYSA-N 0 1 408.461 4.449 20 0 HIADMN CC[C@@H](N[C@@H](C)C(=O)Nc1c(C)nn(C)c1C)c1cc(F)cc(Br)c1 ZINC000485840709 901085650 /nfs/dbraw/zinc/08/56/50/901085650.db2.gz KZCLIMFOUVTROO-MEDUHNTESA-N 0 1 411.319 4.006 20 0 HIADMN C[C@@H](NCC(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000485851233 901093480 /nfs/dbraw/zinc/09/34/80/901093480.db2.gz UFRDEEYNSIBNCU-CYBMUJFWSA-N 0 1 423.460 4.161 20 0 HIADMN CCOc1ccc([C@H](C)NC(=O)CN[C@H](C)c2ccc3ncsc3c2)cc1OC ZINC000485851215 901093665 /nfs/dbraw/zinc/09/36/65/901093665.db2.gz VDZUPWROBUTAJP-CABCVRRESA-N 0 1 413.543 4.232 20 0 HIADMN CCOc1ccc([C@H](C)NC(=O)CN[C@@H](C)c2ccc3ncsc3c2)cc1OC ZINC000485851216 901093865 /nfs/dbraw/zinc/09/38/65/901093865.db2.gz VDZUPWROBUTAJP-GJZGRUSLSA-N 0 1 413.543 4.232 20 0 HIADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCC(c3ccsc3)CC2)c1 ZINC000485890968 901124121 /nfs/dbraw/zinc/12/41/21/901124121.db2.gz UKQHXQZPKGZOIX-OAQYLSRUSA-N 0 1 414.571 4.308 20 0 HIADMN CN1CC[C@H](CNC(=O)[C@H]2COc3ccc(Cl)cc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000485955071 901174591 /nfs/dbraw/zinc/17/45/91/901174591.db2.gz HHDZSKFSUCQXMB-PSGMQZRDSA-N 0 1 423.315 4.418 20 0 HIADMN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(CC2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000485970567 901187653 /nfs/dbraw/zinc/18/76/53/901187653.db2.gz MZLUWKDFRQGVGG-DYVFJYSZSA-N 0 1 423.460 4.110 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000485972906 901189253 /nfs/dbraw/zinc/18/92/53/901189253.db2.gz JSYKRYDLNHKJGM-IBGZPJMESA-N 0 1 415.453 4.458 20 0 HIADMN COc1ccc([C@H]2CCCN2C(=O)CN2CCC(c3ccsc3)CC2)c(OC)c1 ZINC000485984783 901203966 /nfs/dbraw/zinc/20/39/66/901203966.db2.gz AHLHATFSRSEQDH-OAQYLSRUSA-N 0 1 414.571 4.308 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(Br)c2)CC1 ZINC000485990999 901209993 /nfs/dbraw/zinc/20/99/93/901209993.db2.gz PDCJMKMPMXOBTL-AWEZNQCLSA-N 0 1 403.324 4.191 20 0 HIADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cncc(C(F)(F)F)c1 ZINC000486006889 901219543 /nfs/dbraw/zinc/21/95/43/901219543.db2.gz STFUOPKDHFJTID-UHFFFAOYSA-N 0 1 421.400 4.154 20 0 HIADMN CC(C)CCn1ncc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c1C(C)C ZINC000486077391 901268862 /nfs/dbraw/zinc/26/88/62/901268862.db2.gz JAHBXXBVGNGHAO-UHFFFAOYSA-N 0 1 415.506 4.497 20 0 HIADMN O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@@H]1CCCc2cn[nH]c21 ZINC000486096966 901284113 /nfs/dbraw/zinc/28/41/13/901284113.db2.gz OZWVHBRQLJIFED-OAHLLOKOSA-N 0 1 421.448 4.429 20 0 HIADMN O=C(c1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1)C1CCC1 ZINC000486097978 901286104 /nfs/dbraw/zinc/28/61/04/901286104.db2.gz SZGBUYYPZJNHJM-UHFFFAOYSA-N 0 1 412.280 4.372 20 0 HIADMN COc1cccc([C@@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)c2cc(F)ccc2OC)c1 ZINC000486109036 901295062 /nfs/dbraw/zinc/29/50/62/901295062.db2.gz NDWBGJLSQMUCSX-PZJWPPBQSA-N 0 1 424.476 4.032 20 0 HIADMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)n[nH]1 ZINC000486129884 901316521 /nfs/dbraw/zinc/31/65/21/901316521.db2.gz QVGGBLBTEJOFMR-VXGBXAGGSA-N 0 1 421.427 4.405 20 0 HIADMN Cc1nc2ccc(NC(=O)[C@H]3CCO[C@@H]3c3c(C)nn(-c4ccccc4)c3C)cc2[nH]1 ZINC000486130231 901317351 /nfs/dbraw/zinc/31/73/51/901317351.db2.gz RPFACFVARANGPA-CVDCTZTESA-N 0 1 415.497 4.390 20 0 HIADMN COc1ccc([C@H](NCC(=O)N(C)Cc2ccccc2OC)c2ccc(C)cc2)cc1 ZINC000486139890 901327628 /nfs/dbraw/zinc/32/76/28/901327628.db2.gz WGNAFMYNYHQFNM-AREMUKBSSA-N 0 1 418.537 4.350 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc(F)ccc2OCC(F)(F)F)n[nH]1 ZINC000486151349 901338858 /nfs/dbraw/zinc/33/88/58/901338858.db2.gz BUQYXCLEFIBTFX-VHSXEESVSA-N 0 1 403.380 4.281 20 0 HIADMN C[C@H](NC(=O)c1cc(F)c(Cl)cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000486194459 901379364 /nfs/dbraw/zinc/37/93/64/901379364.db2.gz NAFJMBFFHLLOSL-LBPRGKRZSA-N 0 1 411.855 4.000 20 0 HIADMN O=C(Cc1ccc(F)cc1Br)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000486239452 901422066 /nfs/dbraw/zinc/42/20/66/901422066.db2.gz AJZYMZGGNFAIHR-QGZVFWFLSA-N 0 1 418.266 4.497 20 0 HIADMN O=C(Cc1ccc(F)cc1Br)Nc1cccc(CN2CCSCC2)c1 ZINC000486240262 901422313 /nfs/dbraw/zinc/42/23/13/901422313.db2.gz PUPPCWXKRFNXRQ-UHFFFAOYSA-N 0 1 423.351 4.318 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](C)c3c(F)cccc3F)CCN2C2CC2)c1 ZINC000486241176 901423429 /nfs/dbraw/zinc/42/34/29/901423429.db2.gz BQAUEQWPGOQPSP-UPNLOYSTSA-N 0 1 415.484 4.312 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C(C)C)C2CCCC2)cc1 ZINC000486246945 901429558 /nfs/dbraw/zinc/42/95/58/901429558.db2.gz AWEROOFZCFOFNQ-UHFFFAOYSA-N 0 1 416.543 4.289 20 0 HIADMN COc1ccccc1SCC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000486337878 901513125 /nfs/dbraw/zinc/51/31/25/901513125.db2.gz NKRNNAJSHKJJOH-KRWDZBQOSA-N 0 1 424.488 4.197 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000486341427 901516432 /nfs/dbraw/zinc/51/64/32/901516432.db2.gz FCARKPBAADAIFM-IBGZPJMESA-N 0 1 410.537 4.164 20 0 HIADMN 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COc1ccc(-c2nc(C)c(C(=O)NC[C@H](c3ccsc3)N(C)C)s2)c(F)c1 ZINC000500515153 909899266 /nfs/dbraw/zinc/89/92/66/909899266.db2.gz QOKRDRFCNHYCMG-QGZVFWFLSA-N 0 1 419.547 4.360 20 0 HIADMN O=C(NC1CCCCC1)NC1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000500550276 909921725 /nfs/dbraw/zinc/92/17/25/909921725.db2.gz OSZJDOUAIKHQJI-UHFFFAOYSA-N 0 1 408.546 4.470 20 0 HIADMN CCOc1c(CN2CCC(OCc3ccccc3OC)CC2)c(C)nn1CC(C)C ZINC000500778116 910072905 /nfs/dbraw/zinc/07/29/05/910072905.db2.gz GDRDKTZWTQDBQV-UHFFFAOYSA-N 0 1 415.578 4.436 20 0 HIADMN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000500875501 910148558 /nfs/dbraw/zinc/14/85/58/910148558.db2.gz LGLCASYSEYSHMX-LLVKDONJSA-N 0 1 418.462 4.452 20 0 HIADMN CN(Cc1cc(F)ccc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC000513106731 921553858 /nfs/dbraw/zinc/55/38/58/921553858.db2.gz QOBDYWPTZMBNMQ-UHFFFAOYSA-N 0 1 405.311 4.325 20 0 HIADMN C[C@@H](CN1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500934738 910194595 /nfs/dbraw/zinc/19/45/95/910194595.db2.gz BMVBXQYVZMZJQH-KRWDZBQOSA-N 0 1 405.464 4.065 20 0 HIADMN COc1ccc(OC)c(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000501006608 910228342 /nfs/dbraw/zinc/22/83/42/910228342.db2.gz HYKRBOSZVNUALW-LJQANCHMSA-N 0 1 403.910 4.316 20 0 HIADMN COc1cccc(CN(C)C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000501022438 910241040 /nfs/dbraw/zinc/24/10/40/910241040.db2.gz JTQQZLRRCAUVJS-NRFANRHFSA-N 0 1 401.938 4.327 20 0 HIADMN CC(C)(COc1ncccc1Br)NCc1ncc(Cl)cc1Cl ZINC000501069920 910274041 /nfs/dbraw/zinc/27/40/41/910274041.db2.gz QTHOMSQDSIXJNZ-UHFFFAOYSA-N 0 1 405.123 4.493 20 0 HIADMN C[C@H]1CN(C(=O)NCc2nnc(-c3ccccc3)s2)[C@@H](C)CN1Cc1ccccc1 ZINC000501087366 910285342 /nfs/dbraw/zinc/28/53/42/910285342.db2.gz YGPRDPFJIQDGKP-ROUUACIJSA-N 0 1 421.570 4.010 20 0 HIADMN O=C(c1cccc([C@@H]2CCCOC2)c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000501123939 910306662 /nfs/dbraw/zinc/30/66/62/910306662.db2.gz GTNORAVNXXGACN-JOCHJYFZSA-N 0 1 416.525 4.386 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)cc1 ZINC000501187146 910352274 /nfs/dbraw/zinc/35/22/74/910352274.db2.gz GGAOKLCDHROFLX-UHFFFAOYSA-N 0 1 410.562 4.118 20 0 HIADMN C[C@@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)c1cccs1 ZINC000501216489 910380369 /nfs/dbraw/zinc/38/03/69/910380369.db2.gz HGYHRVMLCNFKOI-CYBMUJFWSA-N 0 1 408.365 4.005 20 0 HIADMN CC(C)(O)CN1CCN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000513128481 921571780 /nfs/dbraw/zinc/57/17/80/921571780.db2.gz RAXFSPPJHQJAFB-UHFFFAOYSA-N 0 1 400.375 4.005 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Nc1c(C)cc(N(C)C)cc1C)N1CCCC1 ZINC000501260664 910422760 /nfs/dbraw/zinc/42/27/60/910422760.db2.gz UPYFDEBWPHXIJW-OAQYLSRUSA-N 0 1 410.562 4.337 20 0 HIADMN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000501270576 910432015 /nfs/dbraw/zinc/43/20/15/910432015.db2.gz CNBJOPGYDGSRTK-FQEVSTJZSA-N 0 1 404.510 4.219 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(CC(C)C)C2CC2)c1 ZINC000513141640 921581656 /nfs/dbraw/zinc/58/16/56/921581656.db2.gz STOUGNBLVFLSQG-UHFFFAOYSA-N 0 1 416.543 4.065 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)N(C)C3CCC(F)(F)CC3)CCN2C2CC2)c1 ZINC000501386078 910514484 /nfs/dbraw/zinc/51/44/84/910514484.db2.gz OZTJYVICRFMNJU-PMACEKPBSA-N 0 1 407.505 4.192 20 0 HIADMN Cc1cc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc2n[nH]cc21 ZINC000501384452 910514778 /nfs/dbraw/zinc/51/47/78/910514778.db2.gz LVFHWSGVDTZHIM-INIZCTEOSA-N 0 1 401.474 4.068 20 0 HIADMN CN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000501423540 910555292 /nfs/dbraw/zinc/55/52/92/910555292.db2.gz GELUGWUCONIQAN-MSOLQXFVSA-N 0 1 402.281 4.114 20 0 HIADMN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CN(C)C2CCCC2)nc1C ZINC000501453383 910579341 /nfs/dbraw/zinc/57/93/41/910579341.db2.gz MRGZRCBFOISBHW-UHFFFAOYSA-N 0 1 415.559 4.036 20 0 HIADMN CCCn1nccc1C1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000501550904 910656313 /nfs/dbraw/zinc/65/63/13/910656313.db2.gz LWKUAPQBYPDESR-FQEVSTJZSA-N 0 1 420.479 4.297 20 0 HIADMN CC[C@H](N[C@@H]1CCOc2c(Br)cccc21)C(=O)Nc1ccc(OC)cc1 ZINC000501562244 910669987 /nfs/dbraw/zinc/66/99/87/910669987.db2.gz WGCUNNDJYBJTBS-ZWKOTPCHSA-N 0 1 419.319 4.288 20 0 HIADMN Cc1ccc(-c2[nH]nc(NC(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)c2C)o1 ZINC000501640320 910732385 /nfs/dbraw/zinc/73/23/85/910732385.db2.gz JLBFPGFCWADDNW-QGZVFWFLSA-N 0 1 414.456 4.382 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)CCCC(=O)c3ccc4c(c3)OCCO4)c2C)o1 ZINC000501641452 910732590 /nfs/dbraw/zinc/73/25/90/910732590.db2.gz NJUBPNUESHUUIH-UHFFFAOYSA-N 0 1 409.442 4.049 20 0 HIADMN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c1OC ZINC000501714448 910781774 /nfs/dbraw/zinc/78/17/74/910781774.db2.gz NOWIDVQCQQKLGT-GOSISDBHSA-N 0 1 420.513 4.059 20 0 HIADMN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCN(C)CC2(C)C)cc1 ZINC000501773790 910829563 /nfs/dbraw/zinc/82/95/63/910829563.db2.gz LZKSCHTVJFVDOA-UHFFFAOYSA-N 0 1 401.938 4.405 20 0 HIADMN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(OCC)cc1C ZINC000501804901 910856505 /nfs/dbraw/zinc/85/65/05/910856505.db2.gz ZVKBKRMFPATPFC-UHFFFAOYSA-N 0 1 413.923 4.263 20 0 HIADMN COc1cccc(CN(C)C(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)c1OC ZINC000501874784 910898982 /nfs/dbraw/zinc/89/89/82/910898982.db2.gz ZHDLCTXIMIADPN-UHFFFAOYSA-N 0 1 421.541 4.023 20 0 HIADMN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cc(F)cc2nc[nH]c21 ZINC000501890203 910908810 /nfs/dbraw/zinc/90/88/10/910908810.db2.gz BDJHGKWOGDWFEF-UHFFFAOYSA-N 0 1 406.392 4.023 20 0 HIADMN C[C@@H](CC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000501904128 910913413 /nfs/dbraw/zinc/91/34/13/910913413.db2.gz NUDUEZMSHOPXJG-LJCCNALRSA-N 0 1 412.496 4.299 20 0 HIADMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-n3c(C)c[nH]c3=O)cc2)cc1 ZINC000501971585 910953998 /nfs/dbraw/zinc/95/39/98/910953998.db2.gz ONFJOCAFISDTEA-GBESFXJTSA-N 0 1 420.557 4.365 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Oc3ccc(C(C)C)c(C)c3)n2)c(OC)c1 ZINC000502065814 911010965 /nfs/dbraw/zinc/01/09/65/911010965.db2.gz KOZAGIVLOQPTCI-HNNXBMFYSA-N 0 1 424.501 4.327 20 0 HIADMN CN1CCN(Cc2ccc(C(=O)N3CC4(CCCC4)c4c3cccc4F)cc2)CC1 ZINC000502075793 911018443 /nfs/dbraw/zinc/01/84/43/911018443.db2.gz UNCOIRPYSIYOCA-UHFFFAOYSA-N 0 1 407.533 4.045 20 0 HIADMN Cc1cccc2nc(CCC(=O)N3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)[nH]c21 ZINC000502128484 911056689 /nfs/dbraw/zinc/05/66/89/911056689.db2.gz WOZFLCNVEUQKEQ-OAHLLOKOSA-N 0 1 406.461 4.490 20 0 HIADMN COc1cccc(C2(NC(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)CC2)c1 ZINC000502151913 911072959 /nfs/dbraw/zinc/07/29/59/911072959.db2.gz BQKCZZXVNCJRFV-IBGZPJMESA-N 0 1 421.463 4.305 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc1 ZINC000502178415 911103691 /nfs/dbraw/zinc/10/36/91/911103691.db2.gz XDNBSNVBJODNHA-DLBZAZTESA-N 0 1 416.543 4.004 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1 ZINC000502234482 911184428 /nfs/dbraw/zinc/18/44/28/911184428.db2.gz QDCKADUEWXYLNW-UHFFFAOYSA-N 0 1 420.488 4.441 20 0 HIADMN COc1cc([C@@H](C)NC(=O)c2cccc(-c3nnc[nH]3)c2)ccc1OC1CCCC1 ZINC000502235070 911184589 /nfs/dbraw/zinc/18/45/89/911184589.db2.gz GSKQGWCCJCEMBL-OAHLLOKOSA-N 0 1 406.486 4.293 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)C[C@@H](C)c1ccc(F)cc1F)N1CCCC1 ZINC000502308222 911271699 /nfs/dbraw/zinc/27/16/99/911271699.db2.gz GWUMFDWXBKKBES-IERDGZPVSA-N 0 1 402.485 4.420 20 0 HIADMN CC[C@@H](CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)c1ccc(OC)cc1 ZINC000502342804 911320562 /nfs/dbraw/zinc/32/05/62/911320562.db2.gz CKAJQRNTFAHRDP-NRFANRHFSA-N 0 1 410.558 4.322 20 0 HIADMN Cc1cc([C@H](C)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)oc1C ZINC000502369707 911356670 /nfs/dbraw/zinc/35/66/70/911356670.db2.gz CXZRBUBKKBONML-SFHVURJKSA-N 0 1 404.576 4.309 20 0 HIADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000502442510 911428655 /nfs/dbraw/zinc/42/86/55/911428655.db2.gz PXBHXZQRBFYWCW-HXUWFJFHSA-N 0 1 404.470 4.200 20 0 HIADMN Cc1nc([C@H]2CCCCN2C(=O)Cc2csc3ccc(Br)cc23)n[nH]1 ZINC000513258373 921662238 /nfs/dbraw/zinc/66/22/38/921662238.db2.gz SRNVDVVMCNCMML-OAHLLOKOSA-N 0 1 419.348 4.387 20 0 HIADMN C[C@@H](Sc1nc(-c2ccc3c(c2)OCCO3)n[nH]1)c1nnc(-c2cccs2)o1 ZINC000502467407 911456451 /nfs/dbraw/zinc/45/64/51/911456451.db2.gz WCQYZICHJJLHJB-SNVBAGLBSA-N 0 1 413.484 4.208 20 0 HIADMN Cc1nc([C@@H]2CCCCN2C(=O)COc2cc(Cl)c(Cl)cc2Cl)n[nH]1 ZINC000513256711 921663016 /nfs/dbraw/zinc/66/30/16/921663016.db2.gz LCTGQWQEVGTHTB-ZDUSSCGKSA-N 0 1 403.697 4.206 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000502498140 911501171 /nfs/dbraw/zinc/50/11/71/911501171.db2.gz YQJAELANZYOFAP-UHFFFAOYSA-N 0 1 424.936 4.230 20 0 HIADMN CC[C@H]1C[C@@]1(NCC(=O)N1CCC(OCc2ccccc2)CC1)c1cccc(C)c1 ZINC000502506689 911511253 /nfs/dbraw/zinc/51/12/53/911511253.db2.gz GSKWVRWYGZVQQZ-NVQXNPDNSA-N 0 1 406.570 4.418 20 0 HIADMN CCOc1cc(CN[C@]2(c3cccc(C)c3)C[C@H]2CC)nc2nc(C(F)(F)F)nn21 ZINC000502591866 911595009 /nfs/dbraw/zinc/59/50/09/911595009.db2.gz CTCZCDBYLBQMOS-JLTOFOAXSA-N 0 1 419.451 4.265 20 0 HIADMN CC[C@@H](C)N(CCC(=O)NC1CCCC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000502602088 911608665 /nfs/dbraw/zinc/60/86/65/911608665.db2.gz SPPFXRLSZQLIFL-OAHLLOKOSA-N 0 1 413.484 4.193 20 0 HIADMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc3cc(Br)cc(C)c3o2)n[nH]1 ZINC000513277967 921678341 /nfs/dbraw/zinc/67/83/41/921678341.db2.gz VRDQGDIVCUYSFH-AWEZNQCLSA-N 0 1 403.280 4.298 20 0 HIADMN Cc1noc(C)c1[C@@H](C)CNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000502628538 911657638 /nfs/dbraw/zinc/65/76/38/911657638.db2.gz RYSKRALELWKDTJ-AWEZNQCLSA-N 0 1 404.942 4.012 20 0 HIADMN Cc1noc(C)c1[C@@H](C)CNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000502648339 911687917 /nfs/dbraw/zinc/68/79/17/911687917.db2.gz MOMKQIWGOCANJT-LIRRHRJNSA-N 0 1 404.942 4.185 20 0 HIADMN CCCOc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1OC ZINC000502666440 911706824 /nfs/dbraw/zinc/70/68/24/911706824.db2.gz KOFHUUCBKREGMA-JXFKEZNVSA-N 0 1 417.525 4.286 20 0 HIADMN COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)Nc2nnc(C)[nH]2)s1 ZINC000502675678 911717281 /nfs/dbraw/zinc/71/72/81/911717281.db2.gz NJHOQLKUFXHOCM-UHFFFAOYSA-N 0 1 420.498 4.170 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)nc2)N2CCCC2)c1 ZINC000513287245 921686301 /nfs/dbraw/zinc/68/63/01/921686301.db2.gz OQRYVSKCTFDIEZ-HSZRJFAPSA-N 0 1 417.509 4.449 20 0 HIADMN O=C(NCc1ccco1)[C@@H]1CCCN1CCCCOc1cccc(C(F)(F)F)c1 ZINC000502728706 911756482 /nfs/dbraw/zinc/75/64/82/911756482.db2.gz YCNYYYBUCNFIML-IBGZPJMESA-N 0 1 410.436 4.238 20 0 HIADMN CCOc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)c(C)c1 ZINC000502791993 911813739 /nfs/dbraw/zinc/81/37/39/911813739.db2.gz CLZXZBZOILVWJB-UHFFFAOYSA-N 0 1 418.284 4.105 20 0 HIADMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)N1CCN(C2CCC2)CC1 ZINC000502793804 911816027 /nfs/dbraw/zinc/81/60/27/911816027.db2.gz GZGNQSFBAAOZSR-HNNXBMFYSA-N 0 1 402.539 4.198 20 0 HIADMN COc1cc([C@H](C)NC(=O)N2CCN(C3CCC3)CC2)ccc1OCCC(C)C ZINC000502799495 911821039 /nfs/dbraw/zinc/82/10/39/911821039.db2.gz RVFVGMVSRSIELZ-SFHVURJKSA-N 0 1 403.567 4.061 20 0 HIADMN CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000502809079 911826438 /nfs/dbraw/zinc/82/64/38/911826438.db2.gz QYSVYXJTVYKGEY-UXHICEINSA-N 0 1 419.635 4.069 20 0 HIADMN COc1ccc(COc2cccc(F)c2)cc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000502817909 911832141 /nfs/dbraw/zinc/83/21/41/911832141.db2.gz QGJJYEUPSPHQCQ-UHFFFAOYSA-N 0 1 418.428 4.451 20 0 HIADMN CC(C)(C)c1n[nH]c(SCCCOc2cccc(I)c2)n1 ZINC000513304443 921700046 /nfs/dbraw/zinc/70/00/46/921700046.db2.gz YNNDNYCCOGLZEQ-UHFFFAOYSA-N 0 1 417.316 4.268 20 0 HIADMN CC(C)(C)c1nc(SCCCOc2cccc(I)c2)n[nH]1 ZINC000513304443 921700050 /nfs/dbraw/zinc/70/00/50/921700050.db2.gz YNNDNYCCOGLZEQ-UHFFFAOYSA-N 0 1 417.316 4.268 20 0 HIADMN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)N1CCN(C2CCC2)CC1 ZINC000502835438 911848664 /nfs/dbraw/zinc/84/86/64/911848664.db2.gz ZXDOBXBXDZMTCD-NRFANRHFSA-N 0 1 401.913 4.448 20 0 HIADMN COc1ccc([C@H](NC(=O)NC[C@@H](c2ccco2)N2CCCC2)C(F)(F)F)cc1 ZINC000502843043 911854404 /nfs/dbraw/zinc/85/44/04/911854404.db2.gz KIHKRCDOXQSYMW-WMZOPIPTSA-N 0 1 411.424 4.028 20 0 HIADMN 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4.142 20 0 HIADMN Cc1ccccc1OCCCNC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000520560856 928641795 /nfs/dbraw/zinc/64/17/95/928641795.db2.gz PKIUBBBKGLXUAJ-UHFFFAOYSA-N 0 1 415.965 4.381 20 0 HIADMN C[C@@H](C(=O)N1CCC(c2nc3ccccc3s2)CC1)N1CCc2ccccc2C1 ZINC000520611723 928671669 /nfs/dbraw/zinc/67/16/69/928671669.db2.gz VESJVFRXTDJOAR-KRWDZBQOSA-N 0 1 405.567 4.449 20 0 HIADMN Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)cc1 ZINC000520629880 928685384 /nfs/dbraw/zinc/68/53/84/928685384.db2.gz LJZTYOFCELJVAX-MRXNPFEDSA-N 0 1 414.465 4.421 20 0 HIADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000520672142 928716927 /nfs/dbraw/zinc/71/69/27/928716927.db2.gz INXCDKZXMWITGS-UHFFFAOYSA-N 0 1 411.456 4.061 20 0 HIADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000520672142 928716962 /nfs/dbraw/zinc/71/69/62/928716962.db2.gz INXCDKZXMWITGS-UHFFFAOYSA-N 0 1 411.456 4.061 20 0 HIADMN Brc1c(-c2nc(Cn3cnc4ccccc43)no2)[nH]nc1-c1ccccc1 ZINC000520674968 928721465 /nfs/dbraw/zinc/72/14/65/928721465.db2.gz LZPSUJBAPMJHRF-UHFFFAOYSA-N 0 1 421.258 4.287 20 0 HIADMN CN1CC[C@H](CNC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520675671 928721723 /nfs/dbraw/zinc/72/17/23/928721723.db2.gz ZLCYZGGTECBFMV-TTYHFUOFSA-N 0 1 423.960 4.071 20 0 HIADMN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000520703947 928751417 /nfs/dbraw/zinc/75/14/17/928751417.db2.gz FTSSWANLVOZARY-UHFFFAOYSA-N 0 1 409.813 4.185 20 0 HIADMN C[C@H](CNC(=O)COC(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 ZINC000520708875 928758454 /nfs/dbraw/zinc/75/84/54/928758454.db2.gz VVUYIJGCXOZFTD-OAQYLSRUSA-N 0 1 414.549 4.356 20 0 HIADMN Cc1cccc(OCCNC(=O)[C@H](C)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000520741010 928790308 /nfs/dbraw/zinc/79/03/08/928790308.db2.gz HCZGLIIVKPPIQS-KXBFYZLASA-N 0 1 404.963 4.359 20 0 HIADMN CN1CCN(c2ncccc2CNC(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000520790403 928820474 /nfs/dbraw/zinc/82/04/74/928820474.db2.gz LJJVEPHKFKUKJJ-UHFFFAOYSA-N 0 1 415.497 4.055 20 0 HIADMN CCN1C[C@H](C)N(C(=O)c2csc(-c3ccc(Br)s3)n2)[C@@H](C)C1 ZINC000520882964 928858686 /nfs/dbraw/zinc/85/86/86/928858686.db2.gz TUCDAQMJAJTRSY-QWRGUYRKSA-N 0 1 414.394 4.189 20 0 HIADMN Cc1cc(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)nc(-c2ccccn2)n1 ZINC000520989575 928906801 /nfs/dbraw/zinc/90/68/01/928906801.db2.gz QXGKNBWPBCDQJK-OALUTQOASA-N 0 1 403.530 4.068 20 0 HIADMN COc1ccc([C@H]2CCCCCN2CCCOc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000521050091 928961217 /nfs/dbraw/zinc/96/12/17/928961217.db2.gz ZLSNNJWKYWTVKQ-HSZRJFAPSA-N 0 1 417.571 4.485 20 0 HIADMN CS(=O)(=O)c1ccc(OCCCN2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000521052703 928963259 /nfs/dbraw/zinc/96/32/59/928963259.db2.gz WCADKLOUXNFLPN-UHFFFAOYSA-N 0 1 412.555 4.220 20 0 HIADMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000521116089 929004963 /nfs/dbraw/zinc/00/49/63/929004963.db2.gz PNDVUYHVXLVHIA-UHFFFAOYSA-N 0 1 403.486 4.148 20 0 HIADMN Cn1cncc1CN[C@H]1CCCc2nc(-c3ccccc3Br)sc21 ZINC000521122595 929008287 /nfs/dbraw/zinc/00/82/87/929008287.db2.gz WBJLGKLMOPBVSK-HNNXBMFYSA-N 0 1 403.349 4.473 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc2ncccc2c1 ZINC000521137864 929018130 /nfs/dbraw/zinc/01/81/30/929018130.db2.gz XLZXMIZFUUPNDF-NRFANRHFSA-N 0 1 414.509 4.088 20 0 HIADMN COc1ccc(N(Cc2cccs2)C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)cc1 ZINC000521142648 929021189 /nfs/dbraw/zinc/02/11/89/929021189.db2.gz GSQRONVXTVXYLR-UHFFFAOYSA-N 0 1 421.526 4.344 20 0 HIADMN C[C@@H](C(=O)NCc1nc(-c2ccccc2)c[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000521179100 929046727 /nfs/dbraw/zinc/04/67/27/929046727.db2.gz CGSUKHPPZXTTON-IBGZPJMESA-N 0 1 402.542 4.036 20 0 HIADMN CCCOc1ccccc1NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000521206835 929060611 /nfs/dbraw/zinc/06/06/11/929060611.db2.gz IPXCZSWXDPKGBU-QGZVFWFLSA-N 0 1 414.525 4.249 20 0 HIADMN Cc1cc2cc(NC(=O)N[C@H](C)c3cc(F)ccc3N3CCN(C)CC3)ccc2[nH]1 ZINC000521231930 929069506 /nfs/dbraw/zinc/06/95/06/929069506.db2.gz SPLKYQYJVIMSLC-MRXNPFEDSA-N 0 1 409.509 4.250 20 0 HIADMN CN(CCCOc1ccc(F)cc1)CC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000521423310 929214715 /nfs/dbraw/zinc/21/47/15/929214715.db2.gz LRBNBUCEBLEFCW-HSZRJFAPSA-N 0 1 412.530 4.494 20 0 HIADMN Cc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1NC(=O)c1ccncc1 ZINC000521490687 929249458 /nfs/dbraw/zinc/24/94/58/929249458.db2.gz WQKMBGJKFCEGDP-UHFFFAOYSA-N 0 1 403.467 4.346 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccco1 ZINC000521509509 929261768 /nfs/dbraw/zinc/26/17/68/929261768.db2.gz JGXPOBAEYAWVAL-RHSMWYFYSA-N 0 1 419.476 4.468 20 0 HIADMN CN(C)C(=O)c1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1Cl ZINC000521519904 929272640 /nfs/dbraw/zinc/27/26/40/929272640.db2.gz JRWMEMRYQMMNHW-UHFFFAOYSA-N 0 1 403.269 4.338 20 0 HIADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(COc2ccccc2)cc1 ZINC000521558110 929295928 /nfs/dbraw/zinc/29/59/28/929295928.db2.gz FPASAOBGQPOWSU-UHFFFAOYSA-N 0 1 402.429 4.120 20 0 HIADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(COc2ccccc2)cc1 ZINC000521558110 929295941 /nfs/dbraw/zinc/29/59/41/929295941.db2.gz FPASAOBGQPOWSU-UHFFFAOYSA-N 0 1 402.429 4.120 20 0 HIADMN Cc1c(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cnn1-c1ccc(C)cc1 ZINC000521563161 929298663 /nfs/dbraw/zinc/29/86/63/929298663.db2.gz QLOVONIPBRCMPN-UHFFFAOYSA-N 0 1 423.948 4.147 20 0 HIADMN O=C(COCCOc1ccccc1)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000521581152 929308908 /nfs/dbraw/zinc/30/89/08/929308908.db2.gz WUTJLEGBAMYWJE-UHFFFAOYSA-N 0 1 405.429 4.403 20 0 HIADMN COCCN1CCC[C@@H]1CNC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000521582218 929310044 /nfs/dbraw/zinc/31/00/44/929310044.db2.gz MPFXBKMUVORONO-WIYYLYMNSA-N 0 1 418.990 4.400 20 0 HIADMN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(Br)c2O)c(OC)c1 ZINC000521610127 929327885 /nfs/dbraw/zinc/32/78/85/929327885.db2.gz BOPBLSYZROLTLO-INIZCTEOSA-N 0 1 406.276 4.149 20 0 HIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(N2CCCC2)c(F)c1 ZINC000521631845 929335487 /nfs/dbraw/zinc/33/54/87/929335487.db2.gz WKQMQKVDFCIOSV-UHFFFAOYSA-N 0 1 415.940 4.474 20 0 HIADMN C[C@H](NC(=O)c1cccc(Br)c1O)c1nc2ccccc2n1C(F)F ZINC000521647853 929342981 /nfs/dbraw/zinc/34/29/81/929342981.db2.gz CXKMYFJJGWGELS-VIFPVBQESA-N 0 1 410.218 4.391 20 0 HIADMN CSc1ccc(CN(C)C(=O)CN(C)CCc2ccc(Br)cc2)cc1 ZINC000521657254 929350167 /nfs/dbraw/zinc/35/01/67/929350167.db2.gz ACAYIUICWFTLEO-UHFFFAOYSA-N 0 1 421.404 4.304 20 0 HIADMN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cn[nH]c1-c1ccncc1 ZINC000521683580 929364065 /nfs/dbraw/zinc/36/40/65/929364065.db2.gz OJGRYXYZXRSVRO-UHFFFAOYSA-N 0 1 404.474 4.132 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)NCc3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000521777570 929437721 /nfs/dbraw/zinc/43/77/21/929437721.db2.gz UDWGMIYJKWKTJR-HOTGVXAUSA-N 0 1 419.928 4.088 20 0 HIADMN O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1cc(-c2ccoc2)n[nH]1 ZINC000521780205 929440559 /nfs/dbraw/zinc/44/05/59/929440559.db2.gz LFWNIMCGQBNTKX-UHFFFAOYSA-N 0 1 406.421 4.046 20 0 HIADMN COc1cccc(C(=O)NCCNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000521833652 929484896 /nfs/dbraw/zinc/48/48/96/929484896.db2.gz CJLZUJCVUQDKHJ-UHFFFAOYSA-N 0 1 418.415 4.494 20 0 HIADMN CCN(CC)[C@@H](C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000521835539 929489145 /nfs/dbraw/zinc/48/91/45/929489145.db2.gz MLYXGTDHVPCVBV-LJQANCHMSA-N 0 1 408.329 4.131 20 0 HIADMN CCCCc1nc2ccc(NC(=O)CSCC(=O)N(C)C3CCCCC3)cc2[nH]1 ZINC000521885334 929535137 /nfs/dbraw/zinc/53/51/37/929535137.db2.gz GEZOYSZKKIGWEP-UHFFFAOYSA-N 0 1 416.591 4.368 20 0 HIADMN C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000521964600 929603299 /nfs/dbraw/zinc/60/32/99/929603299.db2.gz FFZLDUOJJNCEMF-XUVXKRRUSA-N 0 1 412.599 4.340 20 0 HIADMN C[C@@H](C(=O)NCc1ncc(-c2ccccc2)o1)N1CCC(Cc2ccccc2)CC1 ZINC000521993822 929614925 /nfs/dbraw/zinc/61/49/25/929614925.db2.gz GKZAGTVSUBFUAR-IBGZPJMESA-N 0 1 403.526 4.301 20 0 HIADMN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(Cl)c1O ZINC000524501230 929647776 /nfs/dbraw/zinc/64/77/76/929647776.db2.gz ZBWJLKFNIBZIQF-CTEACUEPSA-N 0 1 404.938 4.341 20 0 HIADMN CC1(C)CN(C2(CNC(=O)N(Cc3cccs3)C3CC3)CCCCC2)CCO1 ZINC000524580444 929697537 /nfs/dbraw/zinc/69/75/37/929697537.db2.gz PAMHECPKUWRMTG-UHFFFAOYSA-N 0 1 405.608 4.236 20 0 HIADMN CN(CCC(=O)Nc1ccccc1Cl)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000524592153 929702863 /nfs/dbraw/zinc/70/28/63/929702863.db2.gz BPYHYXICOKARCO-OAQYLSRUSA-N 0 1 400.885 4.263 20 0 HIADMN CCc1ccc([C@H]2CCCCCN2CC(=O)NCCc2ccc(OC)c(OC)c2)o1 ZINC000524611207 929721954 /nfs/dbraw/zinc/72/19/54/929721954.db2.gz ZYFPBNITLUMHDB-HXUWFJFHSA-N 0 1 414.546 4.135 20 0 HIADMN CCCn1ccc2cc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)ccc21 ZINC000524630612 929741810 /nfs/dbraw/zinc/74/18/10/929741810.db2.gz YKGCMXTWGGZAQM-UHFFFAOYSA-N 0 1 406.891 4.277 20 0 HIADMN CSCc1cccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000524635612 929745457 /nfs/dbraw/zinc/74/54/57/929745457.db2.gz YRXQNINMJUWTOK-QZTJIDSGSA-N 0 1 413.587 4.481 20 0 HIADMN O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000524648225 929761415 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CC(C)c1ccccc1NC(=O)C[C@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000537965950 938438032 /nfs/dbraw/zinc/43/80/32/938438032.db2.gz NULLFEDQGAZMRA-INIZCTEOSA-N 0 1 422.978 4.244 20 0 HIADMN CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000537970694 938440843 /nfs/dbraw/zinc/44/08/43/938440843.db2.gz HLRBSQQNNORUIH-VLIAUNLRSA-N 0 1 404.532 4.236 20 0 HIADMN COc1ccc(CN2CC[C@H](N[C@H](C)c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000537984468 938447944 /nfs/dbraw/zinc/44/79/44/938447944.db2.gz WCUUVJCRFUGERJ-KUHUBIRLSA-N 0 1 408.420 4.046 20 0 HIADMN C[C@@H]1CN(C(=O)c2ccc(CN[C@@H]3CCSc4ccc(F)cc43)cc2)C[C@@H](C)O1 ZINC000537988129 938450577 /nfs/dbraw/zinc/45/05/77/938450577.db2.gz WWYVKICZKWCFSC-WHSLLNHNSA-N 0 1 414.546 4.402 20 0 HIADMN C[C@@H]1CN(C(=O)c2ccc(CN[C@H]3CCSc4ccc(F)cc43)cc2)C[C@@H](C)O1 ZINC000537988132 938450691 /nfs/dbraw/zinc/45/06/91/938450691.db2.gz WWYVKICZKWCFSC-ZOCZFRKYSA-N 0 1 414.546 4.402 20 0 HIADMN COCCc1nc(C)c([C@@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)s1 ZINC000537989355 938451463 /nfs/dbraw/zinc/45/14/63/938451463.db2.gz ANTCMFVZVRJGRV-OAHLLOKOSA-N 0 1 413.543 4.014 20 0 HIADMN COc1cc(CN[C@@H](C)c2cccc(Cl)c2Cl)ccc1OCC(=O)N(C)C ZINC000537989208 938451873 /nfs/dbraw/zinc/45/18/73/938451873.db2.gz AXSNKBDRVJKZEY-ZDUSSCGKSA-N 0 1 411.329 4.320 20 0 HIADMN CCSc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000538058815 938489738 /nfs/dbraw/zinc/48/97/38/938489738.db2.gz HUXGWVKLJUOMPA-LLVKDONJSA-N 0 1 418.469 4.428 20 0 HIADMN COCCOc1c(Cl)cc(NC(=O)c2cccc(-c3nnc[nH]3)c2)cc1Cl ZINC000538057529 938490077 /nfs/dbraw/zinc/49/00/77/938490077.db2.gz WRHVKUMYPPBMKQ-UHFFFAOYSA-N 0 1 407.257 4.056 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000538064158 938491846 /nfs/dbraw/zinc/49/18/46/938491846.db2.gz MRGBDDPHQANPBW-LBPRGKRZSA-N 0 1 418.831 4.109 20 0 HIADMN C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)[C@@H]1c1cccc(F)c1 ZINC000538066748 938492900 /nfs/dbraw/zinc/49/29/00/938492900.db2.gz ICVAIYWHXPOWRP-DIFFPNOSSA-N 0 1 416.403 4.188 20 0 HIADMN Cc1sc2nc([C@@H](C)N3CCCN(Cc4ccc(F)cc4)CC3)nc(N)c2c1C ZINC000538095742 938501020 /nfs/dbraw/zinc/50/10/20/938501020.db2.gz XDIPALXXWFKQHC-OAHLLOKOSA-N 0 1 413.566 4.298 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1F)c1ccc(OC(F)F)cc1 ZINC000538117927 938506685 /nfs/dbraw/zinc/50/66/85/938506685.db2.gz MIBRWFBKWGYLOA-SNVBAGLBSA-N 0 1 417.225 4.479 20 0 HIADMN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)cc1F ZINC000538121223 938508956 /nfs/dbraw/zinc/50/89/56/938508956.db2.gz SMHZTVJKZRPIGG-UONOGXRCSA-N 0 1 410.436 4.133 20 0 HIADMN C[C@@H](NCC(=O)NCCC(C)(C)C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000538127010 938512724 /nfs/dbraw/zinc/51/27/24/938512724.db2.gz WHBYPINEIALAMY-QGZVFWFLSA-N 0 1 413.537 4.210 20 0 HIADMN COc1ccc([C@H](C)NCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)cc1 ZINC000538129093 938514277 /nfs/dbraw/zinc/51/42/77/938514277.db2.gz DXCMJGQWENCDGM-KXBFYZLASA-N 0 1 409.511 4.378 20 0 HIADMN Cc1ccc([C@@H](CN2CCOCC2)NCc2ccccc2Oc2cccnc2)cc1 ZINC000538141696 938518762 /nfs/dbraw/zinc/51/87/62/938518762.db2.gz NFMSUXQMTRVUQG-XMMPIXPASA-N 0 1 403.526 4.345 20 0 HIADMN CC[C@@H](NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1cccc(Cl)c1 ZINC000538146332 938520684 /nfs/dbraw/zinc/52/06/84/938520684.db2.gz ZFSDHZZOCPZNEV-MRXNPFEDSA-N 0 1 415.342 4.076 20 0 HIADMN CCCN(Cc1ccc(C)cc1)C(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000538150136 938522118 /nfs/dbraw/zinc/52/21/18/938522118.db2.gz JGNXFQPUUCRBNX-LJQANCHMSA-N 0 1 407.558 4.433 20 0 HIADMN CCCOc1ccc([C@H](C)NCC(=O)N(C)c2nc3ccccc3s2)cc1OC ZINC000538150624 938522886 /nfs/dbraw/zinc/52/28/86/938522886.db2.gz DIKNVELONPUIOP-HNNXBMFYSA-N 0 1 413.543 4.407 20 0 HIADMN COc1cc([C@H](C)NCC(=O)N(C)c2nc3ccccc3s2)ccc1OC(C)C ZINC000538152536 938524690 /nfs/dbraw/zinc/52/46/90/938524690.db2.gz CPYOIHLOEVQSBG-HNNXBMFYSA-N 0 1 413.543 4.406 20 0 HIADMN COc1ccccc1[C@H](C)NC(=O)CN[C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000538153324 938525577 /nfs/dbraw/zinc/52/55/77/938525577.db2.gz QCEBZTCXWRVXNA-SJORKVTESA-N 0 1 400.519 4.019 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)NC2CCCCCC2)ccc1OCc1ccncc1 ZINC000538156422 938527157 /nfs/dbraw/zinc/52/71/57/938527157.db2.gz YLROPSSYDBMYHV-GOSISDBHSA-N 0 1 411.546 4.159 20 0 HIADMN C[C@@H](CS(C)(=O)=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC000538160646 938529504 /nfs/dbraw/zinc/52/95/04/938529504.db2.gz LAMDBFPCVNLSGJ-HNNXBMFYSA-N 0 1 413.992 4.034 20 0 HIADMN C[C@H](NCc1cc2c(cc1Br)OCCO2)c1ccccc1-n1cccn1 ZINC000538159971 938529510 /nfs/dbraw/zinc/52/95/10/938529510.db2.gz XOOVKNXRWBMAPJ-AWEZNQCLSA-N 0 1 414.303 4.257 20 0 HIADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000538162973 938531259 /nfs/dbraw/zinc/53/12/59/938531259.db2.gz HEHQIXANSHYFCO-GOSISDBHSA-N 0 1 411.546 4.245 20 0 HIADMN O=C(CN[C@@H](COc1ccccc1F)c1ccccc1)Nc1ccnn1C1CCCC1 ZINC000538167831 938534047 /nfs/dbraw/zinc/53/40/47/938534047.db2.gz HLPMPCAUJCFLDJ-NRFANRHFSA-N 0 1 422.504 4.486 20 0 HIADMN C[C@H](NCC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000538176163 938536913 /nfs/dbraw/zinc/53/69/13/938536913.db2.gz RYRQGGINZIAILS-HYFFOGBASA-N 0 1 411.521 4.424 20 0 HIADMN CC[C@@H](NCC(=O)Nc1ccc(C)cc1Br)c1ccc2c(c1)OCCO2 ZINC000538177331 938538398 /nfs/dbraw/zinc/53/83/98/938538398.db2.gz ULJMFFWONCZFCV-MRXNPFEDSA-N 0 1 419.319 4.208 20 0 HIADMN COc1cc([C@H](C)NCc2cc(=O)n3cccc(C)c3n2)ccc1OCCC(C)C ZINC000538178719 938539146 /nfs/dbraw/zinc/53/91/46/938539146.db2.gz AILBCWTZSSFUSQ-SFHVURJKSA-N 0 1 409.530 4.287 20 0 HIADMN C[C@H](NCc1cc2c(cc1Br)OCCO2)c1cccc(-n2cccn2)c1 ZINC000538186321 938542930 /nfs/dbraw/zinc/54/29/30/938542930.db2.gz ICMFIQVJGWBNAH-AWEZNQCLSA-N 0 1 414.303 4.257 20 0 HIADMN CC(NCC(=O)Nc1ccc2c(c1)OCCCO2)(c1ccccc1)c1ccccc1 ZINC000538204707 938553486 /nfs/dbraw/zinc/55/34/86/938553486.db2.gz MHDRFLXTULLVNH-UHFFFAOYSA-N 0 1 402.494 4.340 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000538209508 938556574 /nfs/dbraw/zinc/55/65/74/938556574.db2.gz IOVSQIHIVBWCNS-HXUWFJFHSA-N 0 1 422.978 4.374 20 0 HIADMN COCc1ccccc1CNC(=O)CN[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000538209705 938556713 /nfs/dbraw/zinc/55/67/13/938556713.db2.gz PUYQLURDFTVQLY-XMMPIXPASA-N 0 1 424.491 4.301 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)c1cccc(N2CCCC2=O)c1 ZINC000538209176 938556800 /nfs/dbraw/zinc/55/68/00/938556800.db2.gz XUUSPUAMEAKRJN-QRVBRYPASA-N 0 1 405.542 4.220 20 0 HIADMN O=C(Nc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538221767 938562734 /nfs/dbraw/zinc/56/27/34/938562734.db2.gz IRCWUCQFIKJCBR-VQTJNVASSA-N 0 1 418.459 4.404 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000538225361 938564986 /nfs/dbraw/zinc/56/49/86/938564986.db2.gz UPSVNCFYMQMDKA-CVEARBPZSA-N 0 1 402.485 4.451 20 0 HIADMN COc1ccc(OC)c([C@@H](C)NC(=O)CN[C@@H](c2ccc(F)cc2F)C(C)C)c1 ZINC000538225705 938565042 /nfs/dbraw/zinc/56/50/42/938565042.db2.gz IVBPHNAWOMSCBT-JLCFBVMHSA-N 0 1 406.473 4.146 20 0 HIADMN CCc1ccccc1NC(=O)CNC(=O)CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000538228014 938565598 /nfs/dbraw/zinc/56/55/98/938565598.db2.gz NESDJZJXQXAEKK-QHCPKHFHSA-N 0 1 407.558 4.215 20 0 HIADMN COC(=O)c1sc2[nH]c(CN[C@H](c3cccc(F)c3)C(C)(C)C)nc(=O)c2c1C ZINC000538232054 938566504 /nfs/dbraw/zinc/56/65/04/938566504.db2.gz MWECWMJSGWDXQF-QGZVFWFLSA-N 0 1 417.506 4.096 20 0 HIADMN Cc1ncsc1CN1CC(CN2CC(C)(C)c3cc(-c4cnn(C)c4)ccc32)C1 ZINC000563458532 945186506 /nfs/dbraw/zinc/18/65/06/945186506.db2.gz KGFGLLHZRYKYNG-UHFFFAOYSA-N 0 1 407.587 4.082 20 0 HIADMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CCC1)N1CCC(c2ccccc2)=N1 ZINC000538256551 938575487 /nfs/dbraw/zinc/57/54/87/938575487.db2.gz NTSVIGWRVOKLSB-UHFFFAOYSA-N 0 1 401.432 4.311 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)N(CC)C3CCCCC3)ccc2NC1=O ZINC000538257151 938576083 /nfs/dbraw/zinc/57/60/83/938576083.db2.gz JQTBDGDOSLMGHD-QINHECLXSA-N 0 1 401.551 4.016 20 0 HIADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000538261771 938577386 /nfs/dbraw/zinc/57/73/86/938577386.db2.gz YHZLYECNQLIIMH-HOTGVXAUSA-N 0 1 401.576 4.064 20 0 HIADMN Cc1c([C@H](C)N[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000538267555 938579537 /nfs/dbraw/zinc/57/95/37/938579537.db2.gz OOVVIHIUQGZBPF-SQNIBIBYSA-N 0 1 408.521 4.279 20 0 HIADMN CCOC(=O)c1cc(C)sc1NC(=O)CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000538277135 938581602 /nfs/dbraw/zinc/58/16/02/938581602.db2.gz OFPVBRNLVUJFRA-MRXNPFEDSA-N 0 1 415.559 4.123 20 0 HIADMN CN(C)Cc1cc(CNC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)ccc1F ZINC000538302004 938587620 /nfs/dbraw/zinc/58/76/20/938587620.db2.gz RUZXQOILRFYSEY-UHFFFAOYSA-N 0 1 418.362 4.020 20 0 HIADMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c(C)o1 ZINC000538451109 938625982 /nfs/dbraw/zinc/62/59/82/938625982.db2.gz CTPDJAVXGRSUDH-UHFFFAOYSA-N 0 1 410.923 4.413 20 0 HIADMN Cc1ccc(SC2CCCC2)c(C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c1 ZINC000538497585 938635660 /nfs/dbraw/zinc/63/56/60/938635660.db2.gz BVQQGPNASUHEAF-RTWAWAEBSA-N 0 1 424.610 4.395 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2c2ccccc2)N(C)C)cc1OC 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HIADMN CC[C@@H](N[C@@H]1CCN(C)C1=O)c1ccccc1OCc1ccccc1Br ZINC000540360471 939209396 /nfs/dbraw/zinc/20/93/96/939209396.db2.gz WPFYZFOWSKUWGN-RTBURBONSA-N 0 1 417.347 4.300 20 0 HIADMN CCOc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccco3)cs2)cc1OC ZINC000540364514 939211333 /nfs/dbraw/zinc/21/13/33/939211333.db2.gz BLKIHTGJPVOPMA-ZDUSSCGKSA-N 0 1 401.488 4.100 20 0 HIADMN CNS(=O)(=O)c1ccc([C@H](C)NCc2ccc(Oc3ccccc3)c(F)c2)cc1 ZINC000540366851 939211874 /nfs/dbraw/zinc/21/18/74/939211874.db2.gz PPRJPDURYNMXDX-INIZCTEOSA-N 0 1 414.502 4.377 20 0 HIADMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1OC ZINC000540367237 939212146 /nfs/dbraw/zinc/21/21/46/939212146.db2.gz WCXCDXGSVLXNSY-UONOGXRCSA-N 0 1 406.910 4.434 20 0 HIADMN C[C@@H](NCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCO2 ZINC000540370943 939214138 /nfs/dbraw/zinc/21/41/38/939214138.db2.gz VHZLJZHLEQHPEJ-LLVKDONJSA-N 0 1 417.437 4.106 20 0 HIADMN CSc1ccc(NC(=O)CN[C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000540387516 939225035 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4.028 20 0 HIADMN C[C@@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)C(=O)NC(=O)Nc1ccccc1F ZINC000540424236 939243625 /nfs/dbraw/zinc/24/36/25/939243625.db2.gz JWDQRVROWURIGD-ZIAGYGMSSA-N 0 1 417.456 4.141 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)c(OC)c1 ZINC000540425286 939244131 /nfs/dbraw/zinc/24/41/31/939244131.db2.gz YYNMTVPSCZVORK-HUUCEWRRSA-N 0 1 416.493 4.310 20 0 HIADMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n(C(C)(C)C)n1 ZINC000540425458 939244155 /nfs/dbraw/zinc/24/41/55/939244155.db2.gz ZAIYJYBHURRUJO-HNNXBMFYSA-N 0 1 402.514 4.164 20 0 HIADMN CCOc1ccccc1[C@H](CC(C)C)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000540433880 939247580 /nfs/dbraw/zinc/24/75/80/939247580.db2.gz AHOXQSZMUSMOPS-NRFANRHFSA-N 0 1 404.576 4.213 20 0 HIADMN COc1ccc(OC)c([C@H](C)NC(=O)CN[C@H](C)c2ccc(-c3ccncc3)cc2)c1 ZINC000540436289 939248242 /nfs/dbraw/zinc/24/82/42/939248242.db2.gz ZSCGEDXICYSQHD-MSOLQXFVSA-N 0 1 419.525 4.294 20 0 HIADMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000540458390 939259483 /nfs/dbraw/zinc/25/94/83/939259483.db2.gz PODRWNMXZJSHJN-LBPRGKRZSA-N 0 1 400.828 4.334 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000540461599 939262254 /nfs/dbraw/zinc/26/22/54/939262254.db2.gz AHDJJVIODQREBI-UHFFFAOYSA-N 0 1 410.783 4.083 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)c3ccc(C(F)(F)F)cc3Cl)n[nH]2)cc1 ZINC000540461599 939262258 /nfs/dbraw/zinc/26/22/58/939262258.db2.gz AHDJJVIODQREBI-UHFFFAOYSA-N 0 1 410.783 4.083 20 0 HIADMN COc1ccc(CNC(=O)CN[C@@H]2CCc3c2cc(Cl)cc3Br)cc1 ZINC000540469692 939265336 /nfs/dbraw/zinc/26/53/36/939265336.db2.gz ZMZAXPPAFGIPCT-GOSISDBHSA-N 0 1 423.738 4.004 20 0 HIADMN COc1ccc(CN(C)C(=O)CN[C@H](CC(C)C)c2ccccc2OC)cc1F ZINC000540477562 939268489 /nfs/dbraw/zinc/26/84/89/939268489.db2.gz PJIZQKZIVGZLGE-HXUWFJFHSA-N 0 1 402.510 4.178 20 0 HIADMN COc1ccc([C@H]2CCCCCN2C(=O)CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1 ZINC000540480437 939269419 /nfs/dbraw/zinc/26/94/19/939269419.db2.gz MTIZIFPGWNSNTE-FYYLOGMGSA-N 0 1 412.578 4.249 20 0 HIADMN Cc1cccc(S(=O)(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)c1Cl ZINC000540498136 939277444 /nfs/dbraw/zinc/27/74/44/939277444.db2.gz QOPGJJVWGUUSAZ-UHFFFAOYSA-N 0 1 416.886 4.340 20 0 HIADMN CCC[C@@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)CCN1Cc1ccccc1 ZINC000540535799 939294438 /nfs/dbraw/zinc/29/44/38/939294438.db2.gz ZDDDVILVDOJDGB-LJQANCHMSA-N 0 1 424.570 4.244 20 0 HIADMN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000540553463 939302537 /nfs/dbraw/zinc/30/25/37/939302537.db2.gz DYDLGYFPVRPVOH-SCWSEQNSSA-N 0 1 403.498 4.021 20 0 HIADMN CCCCO[C@@H]1C[C@@H](NCc2csc(CNC(=O)c3ccccc3)n2)C1(C)C ZINC000540593207 939313634 /nfs/dbraw/zinc/31/36/34/939313634.db2.gz CTGGDFOTRSWEAB-RTBURBONSA-N 0 1 401.576 4.147 20 0 HIADMN CC(C)(C)c1nn(Cc2ccccc2)cc1CN[C@H]1CCN(Cc2ccccc2)C1=O ZINC000540595741 939314164 /nfs/dbraw/zinc/31/41/64/939314164.db2.gz VGLYVRKBBQYMTI-QHCPKHFHSA-N 0 1 416.569 4.120 20 0 HIADMN CCOc1cccc2cc([C@H](C)NCc3ccccc3OCCN3CCOCC3)oc21 ZINC000540596659 939315132 /nfs/dbraw/zinc/31/51/32/939315132.db2.gz UYLIOXNGJKPGIG-IBGZPJMESA-N 0 1 424.541 4.393 20 0 HIADMN CCc1c(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)[nH]nc1-c1ccncc1 ZINC000540624944 939322994 /nfs/dbraw/zinc/32/29/94/939322994.db2.gz DSYYEPYIYSFDKZ-UHFFFAOYSA-N 0 1 424.354 4.489 20 0 HIADMN Cc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)nn1-c1ccc(Cl)cc1Cl ZINC000540660070 939333055 /nfs/dbraw/zinc/33/30/55/939333055.db2.gz SUWHZMVROALKQV-UHFFFAOYSA-N 0 1 403.229 4.118 20 0 HIADMN COc1cc(Br)c(CN[C@H](C)[C@@H](OC)c2ccccc2F)cc1OC ZINC000540686715 939338901 /nfs/dbraw/zinc/33/89/01/939338901.db2.gz XQDXVJWWMJRYRA-CWTRNNRKSA-N 0 1 412.299 4.471 20 0 HIADMN CC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)c(F)c1 ZINC000540734541 939352777 /nfs/dbraw/zinc/35/27/77/939352777.db2.gz ULCXKURYXQGNHP-UHFFFAOYSA-N 0 1 411.477 4.095 20 0 HIADMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540751740 939359654 /nfs/dbraw/zinc/35/96/54/939359654.db2.gz KXJYDTVUWVFLBX-MRXNPFEDSA-N 0 1 414.502 4.237 20 0 HIADMN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000540757882 939362258 /nfs/dbraw/zinc/36/22/58/939362258.db2.gz LWSMIZXFVODUGD-QFIPXVFZSA-N 0 1 421.029 4.090 20 0 HIADMN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540845451 939392252 /nfs/dbraw/zinc/39/22/52/939392252.db2.gz JYNNGWXWFPUYJE-KRWDZBQOSA-N 0 1 419.529 4.434 20 0 HIADMN Cc1c2ccccc2[nH]c(=O)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540845453 939392556 /nfs/dbraw/zinc/39/25/56/939392556.db2.gz JYNNGWXWFPUYJE-QGZVFWFLSA-N 0 1 419.529 4.434 20 0 HIADMN O=C(c1cccc(-n2ccnc2)c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000540846581 939393046 /nfs/dbraw/zinc/39/30/46/939393046.db2.gz UAMDMMQDLSGQKT-IBGZPJMESA-N 0 1 404.518 4.058 20 0 HIADMN Cc1cc(C2CCN(C(=O)CSc3nccn3-c3cc(C)ccc3C)CC2)n[nH]1 ZINC000540847838 939393573 /nfs/dbraw/zinc/39/35/73/939393573.db2.gz IUJPAEJUZMWIJS-UHFFFAOYSA-N 0 1 409.559 4.019 20 0 HIADMN O=C(CCCc1ccc(F)c(F)c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540851184 939394445 /nfs/dbraw/zinc/39/44/45/939394445.db2.gz VTAIPKRBOZOQHT-SFHVURJKSA-N 0 1 410.468 4.479 20 0 HIADMN O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540851545 939394702 /nfs/dbraw/zinc/39/47/02/939394702.db2.gz ULFDQKUMDZRGBE-LIXHSBQKSA-N 0 1 412.537 4.472 20 0 HIADMN O=C(c1cc(F)c(Cl)cc1F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540851088 939394767 /nfs/dbraw/zinc/39/47/67/939394767.db2.gz LVAINBWQKSHPCJ-CYBMUJFWSA-N 0 1 402.832 4.423 20 0 HIADMN CCn1cc(CC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)c2ccccc21 ZINC000540852302 939394961 /nfs/dbraw/zinc/39/49/61/939394961.db2.gz RQBFGZUMOCDJMN-IBGZPJMESA-N 0 1 413.525 4.395 20 0 HIADMN COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)n1 ZINC000540859285 939398501 /nfs/dbraw/zinc/39/85/01/939398501.db2.gz ZFJYSHPFLQWVIZ-UHFFFAOYSA-N 0 1 424.464 4.380 20 0 HIADMN COc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cc1OC ZINC000540861580 939399761 /nfs/dbraw/zinc/39/97/61/939399761.db2.gz INUDHDPVOWYCMP-INIZCTEOSA-N 0 1 413.522 4.281 20 0 HIADMN Cc1cc(N2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)nc(-c2ccccn2)n1 ZINC000540862543 939400559 /nfs/dbraw/zinc/40/05/59/939400559.db2.gz GLGQXMMFVXXITD-SFHVURJKSA-N 0 1 403.534 4.397 20 0 HIADMN Cc1cc(N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)nc(-c2ccccn2)n1 ZINC000540862543 939400560 /nfs/dbraw/zinc/40/05/60/939400560.db2.gz GLGQXMMFVXXITD-SFHVURJKSA-N 0 1 403.534 4.397 20 0 HIADMN CC1(C)Oc2ccc(NC(=O)N3CCC[C@H](c4nnc(-c5ccccc5)[nH]4)C3)cc2O1 ZINC000540863632 939401570 /nfs/dbraw/zinc/40/15/70/939401570.db2.gz OQDXMDGAQCTRQY-INIZCTEOSA-N 0 1 419.485 4.391 20 0 HIADMN O=C(Nc1ccc(C(F)(F)F)nc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540865526 939402629 /nfs/dbraw/zinc/40/26/29/939402629.db2.gz ROYADJKHBVKDAP-AWEZNQCLSA-N 0 1 416.407 4.297 20 0 HIADMN NC(=O)COc1cccc(CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000540912166 939416235 /nfs/dbraw/zinc/41/62/35/939416235.db2.gz YQJDEGJPHRFMJG-QFIPXVFZSA-N 0 1 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FPMFHBVHKZDRKH-UHFFFAOYSA-N 0 1 415.276 4.285 20 0 HIADMN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCc3noc(C)n3)cc2)c1 ZINC000560007938 944127529 /nfs/dbraw/zinc/12/75/29/944127529.db2.gz XRAFDGVBZAKJFX-UHFFFAOYSA-N 0 1 421.906 4.364 20 0 HIADMN COc1cc(NS(=O)(=O)c2cccc(Br)c2Cl)c(C)c(OC)c1 ZINC000560010327 944128731 /nfs/dbraw/zinc/12/87/31/944128731.db2.gz SEIWSVNGFMIBTL-UHFFFAOYSA-N 0 1 420.712 4.229 20 0 HIADMN Fc1cc(OCc2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)ccc1Cl ZINC000560036391 944135057 /nfs/dbraw/zinc/13/50/57/944135057.db2.gz LJIRLQYMPQAZCW-OAHLLOKOSA-N 0 1 402.857 4.216 20 0 HIADMN CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c1 ZINC000560061634 944145806 /nfs/dbraw/zinc/14/58/06/944145806.db2.gz HDYSMIQLOJJYES-HNNXBMFYSA-N 0 1 408.955 4.027 20 0 HIADMN CCn1cccc(CNCc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)c1=O ZINC000560073888 944149422 /nfs/dbraw/zinc/14/94/22/944149422.db2.gz BWMCMTWTBPZWOB-UHFFFAOYSA-N 0 1 416.500 4.458 20 0 HIADMN O=C(Nc1cccc(CNCc2cccc(I)c2)c1)C1CCC1 ZINC000560073577 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0 HIADMN CN(CCCN(C)C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)Cc1ccco1 ZINC000560806191 944338854 /nfs/dbraw/zinc/33/88/54/944338854.db2.gz SSFGKTPYSJAVTB-UHFFFAOYSA-N 0 1 405.470 4.275 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccc(I)cc1)c1cc2ccccc2o1 ZINC000560841175 944353574 /nfs/dbraw/zinc/35/35/74/944353574.db2.gz RQFVUSGJGDICJQ-GFCCVEGCSA-N 0 1 420.250 4.327 20 0 HIADMN COc1ccc(CN(CC(=O)Nc2nccs2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000560854184 944357880 /nfs/dbraw/zinc/35/78/80/944357880.db2.gz COCLIVYRQGGJIY-RDJZCZTQSA-N 0 1 403.548 4.180 20 0 HIADMN Cc1ccsc1[C@@H](Cc1ccccc1)NCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000560902421 944367631 /nfs/dbraw/zinc/36/76/31/944367631.db2.gz QWLNTZSIFJFURS-GOSISDBHSA-N 0 1 420.625 4.442 20 0 HIADMN CCCCO[C@@H](C)C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000561074058 944429299 /nfs/dbraw/zinc/42/92/99/944429299.db2.gz JZDDYOXYJBTSTJ-URXFXBBRSA-N 0 1 409.574 4.280 20 0 HIADMN O=C(CC1CCC(=O)CC1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000561075199 944431197 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ZINC000561420333 944587959 /nfs/dbraw/zinc/58/79/59/944587959.db2.gz CHUUMLBIBHRLNO-QFIPXVFZSA-N 0 1 417.553 4.348 20 0 HIADMN CC[C@H](NCc1cccc(NC(=O)COC)c1)c1cc(F)cc(Br)c1 ZINC000561454082 944610169 /nfs/dbraw/zinc/61/01/69/944610169.db2.gz DZMPIIDBQFMPIO-SFHVURJKSA-N 0 1 409.299 4.414 20 0 HIADMN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000561456406 944612564 /nfs/dbraw/zinc/61/25/64/944612564.db2.gz HOWOWHBFEJNXAK-IBGZPJMESA-N 0 1 421.541 4.418 20 0 HIADMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000561541989 944665101 /nfs/dbraw/zinc/66/51/01/944665101.db2.gz BERODEHQNOPSDI-INIZCTEOSA-N 0 1 411.468 4.393 20 0 HIADMN CC(=O)c1oc2cc(C)ccc2c1CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000561599950 944697692 /nfs/dbraw/zinc/69/76/92/944697692.db2.gz DJTZEOBDRFOLJI-UHFFFAOYSA-N 0 1 419.525 4.185 20 0 HIADMN C[C@@H](C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2)N1CCCCCC1 ZINC000561602760 944700788 /nfs/dbraw/zinc/70/07/88/944700788.db2.gz ZBPUNOYLINJKKQ-IBGZPJMESA-N 0 1 405.542 4.021 20 0 HIADMN C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)c1ccc(Br)cc1F ZINC000561711244 944757564 /nfs/dbraw/zinc/75/75/64/944757564.db2.gz VFALRORRZBRPLD-BZNIZROVSA-N 0 1 414.344 4.313 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000561714825 944760861 /nfs/dbraw/zinc/76/08/61/944760861.db2.gz FSAWPIZNMBDTMF-UHFFFAOYSA-N 0 1 408.527 4.343 20 0 HIADMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000561782362 944795662 /nfs/dbraw/zinc/79/56/62/944795662.db2.gz UTKARRRGMDVKDC-UHFFFAOYSA-N 0 1 415.858 4.353 20 0 HIADMN C[C@@H](NC(=O)CN(Cc1ccc(F)cc1)C1CCOCC1)c1ccc(Cl)cc1 ZINC000561884018 944836241 /nfs/dbraw/zinc/83/62/41/944836241.db2.gz TUKNQXPNRPKIDQ-MRXNPFEDSA-N 0 1 404.913 4.338 20 0 HIADMN O=C(CC(F)(F)F)NC[C@@H]1CCCN(Cc2cnc(C3CCCCC3)s2)C1 ZINC000561967100 944879095 /nfs/dbraw/zinc/87/90/95/944879095.db2.gz GHBDHUUKCNHCSU-AWEZNQCLSA-N 0 1 403.514 4.471 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(-n3nccc3C(F)(F)F)cc1)C2 ZINC000561999882 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XHQVZGUQLXGHMO-GOSISDBHSA-N 0 1 418.350 4.157 20 0 HIADMN CCSc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438451097 863876508 /nfs/dbraw/zinc/87/65/08/863876508.db2.gz GYOBXDHXMKWBGQ-INIZCTEOSA-N 0 1 406.433 4.455 20 0 HIADMN COc1cc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000438453174 863877712 /nfs/dbraw/zinc/87/77/12/863877712.db2.gz GEIIBBKFKQIMTB-HNNXBMFYSA-N 0 1 410.783 4.005 20 0 HIADMN C[C@H](CSc1ccccc1)C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438458793 863881796 /nfs/dbraw/zinc/88/17/96/863881796.db2.gz UDJARZQCGHJTDZ-DYVFJYSZSA-N 0 1 420.460 4.458 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc4ccn(C)c4c3)cc2)C[C@H](C)O1 ZINC000438461127 863884472 /nfs/dbraw/zinc/88/44/72/863884472.db2.gz DNLQGYHHRPLIKT-HDICACEKSA-N 0 1 406.530 4.109 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCc3ccccc3N(C)C(C)C)n2)cc1 ZINC000438476756 863893916 /nfs/dbraw/zinc/89/39/16/863893916.db2.gz QBONRLRPCHCBKH-UHFFFAOYSA-N 0 1 409.559 4.033 20 0 HIADMN C[C@H](NC(=O)Nc1ncc(C(C)(C)C)s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000438513824 863939682 /nfs/dbraw/zinc/93/96/82/863939682.db2.gz DIOAIJQCJFFTOX-AWEZNQCLSA-N 0 1 419.570 4.214 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@@H](C)C(=O)Nc2ccccc2Cl)c1 ZINC000438544683 863972061 /nfs/dbraw/zinc/97/20/61/863972061.db2.gz GFXRWBSIWDLUMQ-HNNXBMFYSA-N 0 1 406.910 4.085 20 0 HIADMN COc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1OCc1cn2ccccc2n1 ZINC000438558622 863991168 /nfs/dbraw/zinc/99/11/68/863991168.db2.gz KTDFXDLMMXDISY-UHFFFAOYSA-N 0 1 413.437 4.051 20 0 HIADMN C[C@@H](CNC(=O)Nc1c(F)cc(Br)cc1F)N1CCc2ccccc2C1 ZINC000438630480 864058505 /nfs/dbraw/zinc/05/85/05/864058505.db2.gz HRVXFSFCZHNRDE-LBPRGKRZSA-N 0 1 424.289 4.296 20 0 HIADMN O=C(Nc1ccc(OC2CCCC2)c(F)c1)NC1CCN(Cc2ccncc2)CC1 ZINC000438644610 864083020 /nfs/dbraw/zinc/08/30/20/864083020.db2.gz CCRVSMLXOWVMNV-UHFFFAOYSA-N 0 1 412.509 4.328 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000438666912 864121540 /nfs/dbraw/zinc/12/15/40/864121540.db2.gz JJDLROORYSDPEK-HSZRJFAPSA-N 0 1 408.546 4.110 20 0 HIADMN CC[C@H](C)[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1ccccc1 ZINC000438677699 864139546 /nfs/dbraw/zinc/13/95/46/864139546.db2.gz YLSHSFADMGUEGQ-JXFKEZNVSA-N 0 1 424.526 4.046 20 0 HIADMN CCC[C@H](CC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC000438682788 864148334 /nfs/dbraw/zinc/14/83/34/864148334.db2.gz SSZGBBGRTVRWNA-QGZVFWFLSA-N 0 1 416.547 4.213 20 0 HIADMN CCOCc1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)cc1 ZINC000438727619 864208899 /nfs/dbraw/zinc/20/88/99/864208899.db2.gz XJBOFQBQEHCOEY-UHFFFAOYSA-N 0 1 404.713 4.440 20 0 HIADMN CCc1[nH]nc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c1Br ZINC000467887059 881748736 /nfs/dbraw/zinc/74/87/36/881748736.db2.gz KJMNBYCXFUZGML-UHFFFAOYSA-N 0 1 414.706 4.489 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)cs1 ZINC000438813977 864305576 /nfs/dbraw/zinc/30/55/76/864305576.db2.gz NGEBWUQTPPLZJG-UHFFFAOYSA-N 0 1 402.497 4.388 20 0 HIADMN COc1cc(OC)c(NS(=O)(=O)c2ccc(F)c(Br)c2)cc1Cl ZINC000438814901 864307571 /nfs/dbraw/zinc/30/75/71/864307571.db2.gz OOLOCKRRBBTOOR-UHFFFAOYSA-N 0 1 424.675 4.060 20 0 HIADMN COCc1ccccc1S(=O)(=O)Nc1ccc(OC)cc1OCc1ccccc1 ZINC000438821901 864314940 /nfs/dbraw/zinc/31/49/40/864314940.db2.gz UKOGHZSVPKNGLL-UHFFFAOYSA-N 0 1 413.495 4.221 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000438866478 864359549 /nfs/dbraw/zinc/35/95/49/864359549.db2.gz JFLYRIMRHZTITR-YWZLYKJASA-N 0 1 414.937 4.083 20 0 HIADMN Cc1ccsc1CCCC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000438891589 864372397 /nfs/dbraw/zinc/37/23/97/864372397.db2.gz AFZTXWBXDIFNPF-RTBURBONSA-N 0 1 400.588 4.305 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)[C@H]3C[C@]34CCCc3ccccc34)CC2)cc1 ZINC000438903757 864384084 /nfs/dbraw/zinc/38/40/84/864384084.db2.gz KNJZZHZZUZLBQZ-RSXGOPAZSA-N 0 1 404.554 4.024 20 0 HIADMN CCCCOc1cccc(CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000438974628 864439932 /nfs/dbraw/zinc/43/99/32/864439932.db2.gz MNUKYONQWSMFAN-IBGZPJMESA-N 0 1 410.562 4.285 20 0 HIADMN CCN(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O)c1nc2ccccc2s1 ZINC000438993130 864451817 /nfs/dbraw/zinc/45/18/17/864451817.db2.gz ASZLIZWFVFMMLI-PIKOESSRSA-N 0 1 415.603 4.301 20 0 HIADMN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000439001367 864455403 /nfs/dbraw/zinc/45/54/03/864455403.db2.gz XUZPQCMRSXHIGI-KCMWZYNZSA-N 0 1 405.539 4.026 20 0 HIADMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000439001376 864456953 /nfs/dbraw/zinc/45/69/53/864456953.db2.gz XUZPQCMRSXHIGI-UWIFEVILSA-N 0 1 405.539 4.026 20 0 HIADMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000439001380 864457218 /nfs/dbraw/zinc/45/72/18/864457218.db2.gz XUZPQCMRSXHIGI-WCZJQEMASA-N 0 1 405.539 4.026 20 0 HIADMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000439003968 864458846 /nfs/dbraw/zinc/45/88/46/864458846.db2.gz GUOUCHLAIYZVMR-DNVJHFABSA-N 0 1 424.589 4.142 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@H](C)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000439009161 864462248 /nfs/dbraw/zinc/46/22/48/864462248.db2.gz XUXLYNSDVTZPNA-LIRRHRJNSA-N 0 1 415.921 4.153 20 0 HIADMN CN(C)Cc1cc(CNC(=O)Nc2ccccc2-c2ncc3n2CCCC3)ccc1F ZINC000439031339 864486873 /nfs/dbraw/zinc/48/68/73/864486873.db2.gz AXOVNUKCLNBDOK-UHFFFAOYSA-N 0 1 421.520 4.409 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1ccc(OCc2ccccn2)cc1 ZINC000439074769 864527260 /nfs/dbraw/zinc/52/72/60/864527260.db2.gz BTHMXMWSFCRDHQ-QGZVFWFLSA-N 0 1 405.498 4.478 20 0 HIADMN COc1cc(OC)c(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1Cl ZINC000439083180 864530940 /nfs/dbraw/zinc/53/09/40/864530940.db2.gz GCKVISAHKYRSBQ-CQSZACIVSA-N 0 1 418.925 4.099 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000439081716 864531146 /nfs/dbraw/zinc/53/11/46/864531146.db2.gz XWDLSHHVLDCARG-MRXNPFEDSA-N 0 1 418.497 4.152 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2C[C@]23CCc2ccccc23)CC1 ZINC000439139823 864571974 /nfs/dbraw/zinc/57/19/74/864571974.db2.gz NNZPIKDKNNHYHE-WMDMVVLCSA-N 0 1 421.560 4.049 20 0 HIADMN Brc1ccc([C@@H]([NH2+]Cc2nnc(COc3ccccc3)[n-]2)C2CC2)s1 ZINC000439143458 864576641 /nfs/dbraw/zinc/57/66/41/864576641.db2.gz URCPWAOZFPMTQT-SFHVURJKSA-N 0 1 419.348 4.449 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC000439189301 864617876 /nfs/dbraw/zinc/61/78/76/864617876.db2.gz IHOPTISGHJSKNP-INIZCTEOSA-N 0 1 418.488 4.050 20 0 HIADMN COc1cccc([C@@H]2CCCN2C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000439194636 864621125 /nfs/dbraw/zinc/62/11/25/864621125.db2.gz XHXOMOBTGJUXII-JPYJTQIMSA-N 0 1 408.546 4.162 20 0 HIADMN Cc1ccccc1OCCCN(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439194056 864621167 /nfs/dbraw/zinc/62/11/67/864621167.db2.gz UMWVJLDLTZYAOP-FQEVSTJZSA-N 0 1 410.562 4.026 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](c2nccs2)c2ccccc2)CC1 ZINC000439194370 864621506 /nfs/dbraw/zinc/62/15/06/864621506.db2.gz VQJAQCVHTNUQFN-UTKZUKDTSA-N 0 1 421.570 4.152 20 0 HIADMN O=S(=O)(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000439195518 864621525 /nfs/dbraw/zinc/62/15/25/864621525.db2.gz AJSXUCWKBZQMMG-NRFANRHFSA-N 0 1 410.543 4.115 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCSC3(CCCCC3)C2)CC1 ZINC000439196595 864622739 /nfs/dbraw/zinc/62/27/39/864622739.db2.gz GGGXKQHXXYZWHK-SFHVURJKSA-N 0 1 402.608 4.068 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000439200334 864624706 /nfs/dbraw/zinc/62/47/06/864624706.db2.gz QCNLUUFFQBLZQR-REHUZNOOSA-N 0 1 406.574 4.442 20 0 HIADMN CC(C)[C@@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)Nc1ccccc1 ZINC000439202246 864626293 /nfs/dbraw/zinc/62/62/93/864626293.db2.gz VKXHJGNIOOYVSD-AUSIDOKSSA-N 0 1 409.578 4.043 20 0 HIADMN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439205084 864629598 /nfs/dbraw/zinc/62/95/98/864629598.db2.gz LNNRPNILXINLHW-HOTGVXAUSA-N 0 1 402.489 4.288 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC000439207008 864631097 /nfs/dbraw/zinc/63/10/97/864631097.db2.gz BDDPYYTVSCXSRY-MRXNPFEDSA-N 0 1 420.479 4.467 20 0 HIADMN COc1ccc(Br)cc1-c1nc(CN(C)[C@H]2CC[C@H](O)CC2)cs1 ZINC000439275576 864694899 /nfs/dbraw/zinc/69/48/99/864694899.db2.gz LNSHZTCFJZPOCS-SHTZXODSSA-N 0 1 411.365 4.317 20 0 HIADMN O=C(CN1CCC([C@@H]2CCCO2)CC1)NCCC(c1ccccc1)c1ccccc1 ZINC000439275459 864695553 /nfs/dbraw/zinc/69/55/53/864695553.db2.gz RNNVYJAEKCENKX-VWLOTQADSA-N 0 1 406.570 4.216 20 0 HIADMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC([C@H]2CCCO2)CC1 ZINC000439277965 864699069 /nfs/dbraw/zinc/69/90/69/864699069.db2.gz XWCVOILVJBNWTM-NTKDMRAZSA-N 0 1 408.542 4.484 20 0 HIADMN O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000439283853 864703026 /nfs/dbraw/zinc/70/30/26/864703026.db2.gz ZPIIFLNYYYVXTK-UHFFFAOYSA-N 0 1 404.401 4.421 20 0 HIADMN C[C@@H](N[C@H](c1nnc[nH]1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000439288781 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4.094 20 0 HIADMN Cn1ncc(CSc2nc(-c3ccccc3Br)n[nH]2)c1C(F)(F)F ZINC000464886172 878183127 /nfs/dbraw/zinc/18/31/27/878183127.db2.gz ARHUTRJTCIAERO-UHFFFAOYSA-N 0 1 418.242 4.279 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000464938606 878271037 /nfs/dbraw/zinc/27/10/37/878271037.db2.gz MGDIWRCFGKGGJP-UHFFFAOYSA-N 0 1 413.587 4.420 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCCC(=O)c1ccccc1 ZINC000464939266 878271781 /nfs/dbraw/zinc/27/17/81/878271781.db2.gz WLHRBIXRUPRNCO-UHFFFAOYSA-N 0 1 423.557 4.219 20 0 HIADMN CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OCC)cc1 ZINC000464942797 878276793 /nfs/dbraw/zinc/27/67/93/878276793.db2.gz RNBHCDKRMFDQME-UHFFFAOYSA-N 0 1 411.546 4.268 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000464945194 878280328 /nfs/dbraw/zinc/28/03/28/878280328.db2.gz ZPNFGAJPOCLCLK-JKSUJKDBSA-N 0 1 413.484 4.144 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000464945190 878281005 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C[C@H](CCOc1ccccc1)C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000465165635 878547410 /nfs/dbraw/zinc/54/74/10/878547410.db2.gz CTCUDLSFAVIOBF-GOSISDBHSA-N 0 1 404.514 4.283 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)[nH]c2c1 ZINC000465187195 878579429 /nfs/dbraw/zinc/57/94/29/878579429.db2.gz REWLHAZGEAHOKL-UHFFFAOYSA-N 0 1 408.465 4.049 20 0 HIADMN Cc1ccc2nc(CNC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)[nH]c2c1 ZINC000465187270 878580173 /nfs/dbraw/zinc/58/01/73/878580173.db2.gz RXZRQBBPBMBPOK-UHFFFAOYSA-N 0 1 409.877 4.214 20 0 HIADMN Cc1ccc2nc(CNC(=O)C3CCC(NC(=O)CC4CCCCC4)CC3)[nH]c2c1 ZINC000465192289 878590442 /nfs/dbraw/zinc/59/04/42/878590442.db2.gz HITJMHNBWHGCCX-UHFFFAOYSA-N 0 1 410.562 4.133 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3ccoc3CN3c4ccccc4C[C@H]3C)[nH]c2c1 ZINC000465196530 878597727 /nfs/dbraw/zinc/59/77/27/878597727.db2.gz TXKXDORHBCLTDO-MRXNPFEDSA-N 0 1 400.482 4.346 20 0 HIADMN C[C@@H]1C[C@]1(NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000503381650 912365033 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HIADMN COc1ccc([C@@H](CNC(=O)N2CCOC[C@H]2c2ccccc2)N2CCCCC2)cc1 ZINC000465402766 878839973 /nfs/dbraw/zinc/83/99/73/878839973.db2.gz HEHOVOJZYRBWLV-RPWUZVMVSA-N 0 1 423.557 4.005 20 0 HIADMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000465410992 878844428 /nfs/dbraw/zinc/84/44/28/878844428.db2.gz PKAHPQDQIWTFHQ-WIYYLYMNSA-N 0 1 407.518 4.053 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C)c1ccccc1Cl ZINC000465423776 878852963 /nfs/dbraw/zinc/85/29/63/878852963.db2.gz RYHFKGUHDQWDKT-YCRPNKLZSA-N 0 1 420.001 4.004 20 0 HIADMN COc1ccc(C[C@@H]2CCCN(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)C2)cc1 ZINC000465425595 878854679 /nfs/dbraw/zinc/85/46/79/878854679.db2.gz RBCUSGUCIJNXGA-CVDCTZTESA-N 0 1 413.537 4.101 20 0 HIADMN COc1ccc(C[C@@H]2CCCN(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)C2)cc1 ZINC000465425596 878856450 /nfs/dbraw/zinc/85/64/50/878856450.db2.gz RBCUSGUCIJNXGA-WMZHIEFXSA-N 0 1 413.537 4.101 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1ccccc1Cl 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0 1 411.509 4.307 20 0 HIADMN CCc1ccc([C@H](COC)NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)o1 ZINC000465529117 878983691 /nfs/dbraw/zinc/98/36/91/878983691.db2.gz KQIJJUSSLSPBIW-VQTJNVASSA-N 0 1 419.953 4.319 20 0 HIADMN CN(C)[C@@H](CNC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)c1ccsc1 ZINC000465541283 879002208 /nfs/dbraw/zinc/00/22/08/879002208.db2.gz MFEREQAAVJGDRG-NRFANRHFSA-N 0 1 413.587 4.440 20 0 HIADMN CC[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000465542779 879004952 /nfs/dbraw/zinc/00/49/52/879004952.db2.gz OCDCAUGKRUBGRE-VXGBXAGGSA-N 0 1 406.499 4.277 20 0 HIADMN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)NC[C@H](c2ccsc2)N(C)C)cc1 ZINC000465550544 879015026 /nfs/dbraw/zinc/01/50/26/879015026.db2.gz UCVDUCOGISZGHT-FGZHOGPDSA-N 0 1 415.603 4.093 20 0 HIADMN CC(C)[C@H](CNC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000465566068 879039422 /nfs/dbraw/zinc/03/94/22/879039422.db2.gz GNCHKURXTLPLFI-RTWAWAEBSA-N 0 1 423.045 4.389 20 0 HIADMN CC(C)[C@@H](CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1)N1CCN(C)CC1 ZINC000465575247 879050960 /nfs/dbraw/zinc/05/09/60/879050960.db2.gz QODGWXMXWBBCDF-PXDATVDWSA-N 0 1 422.617 4.328 20 0 HIADMN C[C@@H]1CN(CCCNC(=O)N(Cc2ccccc2F)C2CCCCC2)C[C@H](C)O1 ZINC000465582257 879061564 /nfs/dbraw/zinc/06/15/64/879061564.db2.gz UWQPARUZGRTBBD-KDURUIRLSA-N 0 1 405.558 4.169 20 0 HIADMN O=C(NCCCN1CCN(c2ccccc2)CC1)N(Cc1ccoc1)C1CCCCC1 ZINC000465594296 879079610 /nfs/dbraw/zinc/07/96/10/879079610.db2.gz JEKMNPIDDSECMM-UHFFFAOYSA-N 0 1 424.589 4.336 20 0 HIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCOC[C@H]1c1ccccc1 ZINC000465615311 879115124 /nfs/dbraw/zinc/11/51/24/879115124.db2.gz JAYYIFKTJPYSGC-QFIPXVFZSA-N 0 1 413.949 4.088 20 0 HIADMN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000465662375 879192362 /nfs/dbraw/zinc/19/23/62/879192362.db2.gz OJLRSELYQKBZFM-ZEQRLZLVSA-N 0 1 406.574 4.332 20 0 HIADMN CCCCOC1CCN(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)CC1 ZINC000465683512 879228656 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O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)N1CCC(c2cnc[nH]2)CC1 ZINC000482436216 897996119 /nfs/dbraw/zinc/99/61/19/897996119.db2.gz ISVWLVWHHNSGIN-OAHLLOKOSA-N 0 1 418.366 4.204 20 0 HIADMN CCOc1cc(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1OCC(F)(F)F ZINC000482457000 898027685 /nfs/dbraw/zinc/02/76/85/898027685.db2.gz QDCHNISYFSPYNA-FQEVSTJZSA-N 0 1 417.468 4.186 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccccc3CC(=O)OC(C)(C)C)[nH]n2)cc1 ZINC000482494471 898073820 /nfs/dbraw/zinc/07/38/20/898073820.db2.gz DDEKQZOYOMJATJ-UHFFFAOYSA-N 0 1 407.470 4.222 20 0 HIADMN Brc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1Br ZINC000482508818 898091499 /nfs/dbraw/zinc/09/14/99/898091499.db2.gz JNTTXVFCVOHLLG-HNNXBMFYSA-N 0 1 422.124 4.209 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](Cc4ccccc4)[C@H]3C)n2)cc1 ZINC000482510758 898094662 /nfs/dbraw/zinc/09/46/62/898094662.db2.gz NFYLBSJABTYREF-YLJYHZDGSA-N 0 1 406.555 4.352 20 0 HIADMN COc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc1OCc1ccccc1 ZINC000482516217 898102461 /nfs/dbraw/zinc/10/24/61/898102461.db2.gz WVFTTZPDVHXXSG-QHCPKHFHSA-N 0 1 400.482 4.272 20 0 HIADMN COc1cc(CN[C@H](c2nnc[nH]2)c2ccccc2)ccc1OCc1cccs1 ZINC000482521710 898108690 /nfs/dbraw/zinc/10/86/90/898108690.db2.gz AWEOJGOXBITMBQ-NRFANRHFSA-N 0 1 406.511 4.333 20 0 HIADMN Cc1cccn2c(CNc3cc(NC(=O)CN4CCCC[C@@H]4C)ccc3F)cnc12 ZINC000482621933 898225474 /nfs/dbraw/zinc/22/54/74/898225474.db2.gz AWCZVEQRRJMUAV-KRWDZBQOSA-N 0 1 409.509 4.207 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(Cl)cc2OC)cc1 ZINC000482636762 898240704 /nfs/dbraw/zinc/24/07/04/898240704.db2.gz MNVQMGSWROCBLU-HNNXBMFYSA-N 0 1 410.967 4.230 20 0 HIADMN C[C@@H](Cn1ncc2ccccc2c1=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000482668516 898270950 /nfs/dbraw/zinc/27/09/50/898270950.db2.gz XJTFMJIDZTVESI-HNNXBMFYSA-N 0 1 416.506 4.445 20 0 HIADMN NC(=O)[C@H](NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(Br)cc1F ZINC000482670765 898273275 /nfs/dbraw/zinc/27/32/75/898273275.db2.gz NHNSHLWXMRLHJL-LJWDBELGSA-N 0 1 411.237 4.073 20 0 HIADMN CCc1c(NC(=O)c2ccc(Br)c(O)c2)cnn1-c1cccc(C)c1 ZINC000482686427 898286047 /nfs/dbraw/zinc/28/60/47/898286047.db2.gz IDEYMCBTTJFEAQ-UHFFFAOYSA-N 0 1 400.276 4.464 20 0 HIADMN Cc1ccc(-c2ncc(CN[C@@H]3CC(=O)N(C)[C@H]3c3ccc(F)c(F)c3)s2)o1 ZINC000482707205 898306675 /nfs/dbraw/zinc/30/66/75/898306675.db2.gz QIEUPDJOMDVNJQ-APWZRJJASA-N 0 1 403.454 4.051 20 0 HIADMN CCOc1c(Br)cc(Cl)cc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000482722271 898324476 /nfs/dbraw/zinc/32/44/76/898324476.db2.gz LODOJPKDFNBJFX-LBPRGKRZSA-N 0 1 413.703 4.423 20 0 HIADMN Cc1cc(Br)c(O)c(NC(=O)C(=O)c2ccc(Br)cc2)c1 ZINC000482735510 898338157 /nfs/dbraw/zinc/33/81/57/898338157.db2.gz LTTOLYQKSLEPRB-UHFFFAOYSA-N 0 1 413.065 4.047 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000482834343 898441797 /nfs/dbraw/zinc/44/17/97/898441797.db2.gz JCSFYLMZLOJZRF-SANMLTNESA-N 0 1 422.569 4.119 20 0 HIADMN CCCN(C(=O)NC[C@H](C)N1CCc2ccccc2C1)[C@@H]1CCCc2cccnc21 ZINC000482846488 898456437 /nfs/dbraw/zinc/45/64/37/898456437.db2.gz VELZZSJZXKOGAE-WMZHIEFXSA-N 0 1 406.574 4.327 20 0 HIADMN Cc1nc2ccccc2n1C1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000482867097 898479709 /nfs/dbraw/zinc/47/97/09/898479709.db2.gz HFUOMQIKJJMZHK-IAGOWNOFSA-N 0 1 408.521 4.387 20 0 HIADMN Cc1nc2ccccc2n1C1CCN([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000482873964 898486099 /nfs/dbraw/zinc/48/60/99/898486099.db2.gz MWHCQTQNBQBLGG-ZWKOTPCHSA-N 0 1 402.542 4.348 20 0 HIADMN Cc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000482886471 898500930 /nfs/dbraw/zinc/50/09/30/898500930.db2.gz OASIOYKZWWHIPN-INIZCTEOSA-N 0 1 410.949 4.340 20 0 HIADMN COc1cc([C@@H](C)NCc2ccnc(O[C@H](C)CC(C)C)c2)ccc1S(C)(=O)=O ZINC000482889621 898506408 /nfs/dbraw/zinc/50/64/08/898506408.db2.gz PDJUYUJXWZUOOI-IAGOWNOFSA-N 0 1 420.575 4.158 20 0 HIADMN Cc1nc2ccccc2n1C1CCN([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000482892627 898511907 /nfs/dbraw/zinc/51/19/07/898511907.db2.gz CBDWYDRHMNBJPQ-JOCHJYFZSA-N 0 1 408.933 4.441 20 0 HIADMN C[C@@H](c1nc2ccccc2o1)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482904371 898522504 /nfs/dbraw/zinc/52/25/04/898522504.db2.gz RAAWZDYVFGWHGG-INIZCTEOSA-N 0 1 401.466 4.207 20 0 HIADMN C[C@H](c1nc2ccccc2o1)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482904374 898522709 /nfs/dbraw/zinc/52/27/09/898522709.db2.gz RAAWZDYVFGWHGG-MRXNPFEDSA-N 0 1 401.466 4.207 20 0 HIADMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482924003 898543402 /nfs/dbraw/zinc/54/34/02/898543402.db2.gz BXMSDCFHMGJCDA-WOJBJXKFSA-N 0 1 415.537 4.309 20 0 HIADMN Cc1cccc(CC2(O)CCN([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)c1 ZINC000482939710 898561340 /nfs/dbraw/zinc/56/13/40/898561340.db2.gz YOQYBNISWUZLHL-XMMPIXPASA-N 0 1 406.570 4.118 20 0 HIADMN CC(=O)Nc1cccc([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)c1 ZINC000482942564 898565545 /nfs/dbraw/zinc/56/55/45/898565545.db2.gz IIEKRLOWDRAHHP-KRWDZBQOSA-N 0 1 417.513 4.213 20 0 HIADMN COc1ccc([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1F ZINC000482942844 898567018 /nfs/dbraw/zinc/56/70/18/898567018.db2.gz GDQRWOKLWAGVIZ-INIZCTEOSA-N 0 1 408.477 4.402 20 0 HIADMN O=C(NCc1ccncc1)Nc1cccc(CN[C@@H]2CCCOc3ccccc32)c1 ZINC000482961864 898591094 /nfs/dbraw/zinc/59/10/94/898591094.db2.gz OXGRWINYABORIQ-JOCHJYFZSA-N 0 1 402.498 4.407 20 0 HIADMN C[C@H](NCc1ccc(I)cc1)c1ccc(Br)cn1 ZINC000482966520 898599416 /nfs/dbraw/zinc/59/94/16/898599416.db2.gz WENIOIKKWXZRDV-JTQLQIEISA-N 0 1 417.088 4.300 20 0 HIADMN CO[C@@]1(C)CCCN(Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)CC1 ZINC000482999615 898649412 /nfs/dbraw/zinc/64/94/12/898649412.db2.gz MNLUJEIPFDHIHZ-QFIPXVFZSA-N 0 1 401.576 4.332 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)C1CCN(CC(F)F)CC1 ZINC000483013317 898668131 /nfs/dbraw/zinc/66/81/31/898668131.db2.gz RWLZXQATSDULIZ-UHFFFAOYSA-N 0 1 402.420 4.285 20 0 HIADMN Cc1cc(=O)c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cn1C1CC1 ZINC000483028635 898689380 /nfs/dbraw/zinc/68/93/80/898689380.db2.gz ZWHLFLYSXVSXSZ-UHFFFAOYSA-N 0 1 402.429 4.426 20 0 HIADMN O=C(CN1CC[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000483105408 898800088 /nfs/dbraw/zinc/80/00/88/898800088.db2.gz PIFTUYJBGFFGQI-RBBKRZOGSA-N 0 1 424.516 4.140 20 0 HIADMN CN(CCCN(C)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)Cc1ccco1 ZINC000483115822 898805842 /nfs/dbraw/zinc/80/58/42/898805842.db2.gz HSUZZDMGDUOIHE-UHFFFAOYSA-N 0 1 417.403 4.346 20 0 HIADMN CCC1(Cc2ccccc2)CCN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000483125607 898810898 /nfs/dbraw/zinc/81/08/98/898810898.db2.gz AGBDUTJTHCRGNW-UHFFFAOYSA-N 0 1 407.558 4.062 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2cccc(CN[C@H](C)c3ccc(C)o3)c2)cc1 ZINC000483139408 898819465 /nfs/dbraw/zinc/81/94/65/898819465.db2.gz DYFLVCKGBPBKJF-MRXNPFEDSA-N 0 1 400.500 4.248 20 0 HIADMN COCCNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)c1 ZINC000483159525 898831339 /nfs/dbraw/zinc/83/13/39/898831339.db2.gz OHEFQNHFMCPYQX-LJQANCHMSA-N 0 1 424.566 4.129 20 0 HIADMN CN(C)c1ccccc1CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483257016 898899169 /nfs/dbraw/zinc/89/91/69/898899169.db2.gz PEHTXMNTAOKIAE-INIZCTEOSA-N 0 1 417.269 4.357 20 0 HIADMN CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000483285057 898919949 /nfs/dbraw/zinc/91/99/49/898919949.db2.gz JFHPQTUDLSFBTC-GFCCVEGCSA-N 0 1 414.782 4.172 20 0 HIADMN C[C@H](CNC(=O)c1cccc(C(=O)Nc2ccccc2)c1)N1CCc2ccccc2C1 ZINC000505590387 914296795 /nfs/dbraw/zinc/29/67/95/914296795.db2.gz MLPZRHCERHHPMC-LJQANCHMSA-N 0 1 413.521 4.116 20 0 HIADMN COCCN(C)c1ccc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)cn1 ZINC000483297594 898931453 /nfs/dbraw/zinc/93/14/53/898931453.db2.gz PKBSOVPVELNHJA-IBGZPJMESA-N 0 1 403.954 4.109 20 0 HIADMN Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000483401666 899033456 /nfs/dbraw/zinc/03/34/56/899033456.db2.gz FWWGMPBJEWLUDT-ZDUSSCGKSA-N 0 1 413.440 4.201 20 0 HIADMN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000483412837 899041572 /nfs/dbraw/zinc/04/15/72/899041572.db2.gz SNEDZNQUJMNKOL-SIIHOXLZSA-N 0 1 417.941 4.001 20 0 HIADMN CC(C)c1nn(-c2ccccc2)cc1CN[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000483415918 899044886 /nfs/dbraw/zinc/04/48/86/899044886.db2.gz WVBBMFSWNZYOIF-QFIPXVFZSA-N 0 1 406.505 4.026 20 0 HIADMN CCOC(=O)c1nn(C)cc1CN[C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000483435036 899067050 /nfs/dbraw/zinc/06/70/50/899067050.db2.gz BRINRLOFAUJAKH-LJQANCHMSA-N 0 1 408.340 4.020 20 0 HIADMN COc1cccc2c1CC[C@@H]2N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000483434637 899067169 /nfs/dbraw/zinc/06/71/69/899067169.db2.gz ONSCCBZCFUEBIS-UPVQGACJSA-N 0 1 407.535 4.465 20 0 HIADMN COc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)CC2 ZINC000483435882 899068407 /nfs/dbraw/zinc/06/84/07/899068407.db2.gz SBMLQPOPXLWMLC-ZEQRLZLVSA-N 0 1 407.535 4.465 20 0 HIADMN CN(C)c1ccc(NC(=O)NCCN(C)Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000483468897 899110609 /nfs/dbraw/zinc/11/06/09/899110609.db2.gz GGBQAVZQYLZDKP-UHFFFAOYSA-N 0 1 412.431 4.164 20 0 HIADMN COCCn1cc(CN2CCC(c3nc(-c4ccccc4OC)cs3)CC2)cn1 ZINC000483482962 899132625 /nfs/dbraw/zinc/13/26/25/899132625.db2.gz DNQWRSKBMDPGGT-UHFFFAOYSA-N 0 1 412.559 4.041 20 0 HIADMN Cc1[nH]c2ccccc2c1C1CCN(C(=O)C(=O)Nc2cc3cn[nH]c3cc2C)CC1 ZINC000483483077 899133082 /nfs/dbraw/zinc/13/30/82/899133082.db2.gz URERUHKJIUKTRC-UHFFFAOYSA-N 0 1 415.497 4.006 20 0 HIADMN CCn1c(CNCc2cc(-n3ccnc3)cs2)nc2cc(Br)ccc21 ZINC000483497917 899156363 /nfs/dbraw/zinc/15/63/63/899156363.db2.gz CTDWAYPZGFTQMU-UHFFFAOYSA-N 0 1 416.348 4.356 20 0 HIADMN COc1ccc(Br)cc1[C@@H]1CCCN1CCC(=O)Nc1cccnc1 ZINC000483556287 899214509 /nfs/dbraw/zinc/21/45/09/899214509.db2.gz DZVQQGGJBROPRD-KRWDZBQOSA-N 0 1 404.308 4.018 20 0 HIADMN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000483583651 899235898 /nfs/dbraw/zinc/23/58/98/899235898.db2.gz RGUKUDYIIGSISF-ZDUSSCGKSA-N 0 1 419.510 4.119 20 0 HIADMN C[C@H](CCCOc1ccccc1C(N)=O)N[C@H](C)c1nc(C2CCCCC2)no1 ZINC000483654305 899312921 /nfs/dbraw/zinc/31/29/21/899312921.db2.gz OTYVAECPHLOPGB-HZPDHXFCSA-N 0 1 400.523 4.115 20 0 HIADMN COc1ccc(Cl)c(C[N@@H+](C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000483715258 899372249 /nfs/dbraw/zinc/37/22/49/899372249.db2.gz RHGIOSIMXOJZFY-HNNXBMFYSA-N 0 1 408.951 4.082 20 0 HIADMN COc1ccc(Cl)c(CN(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000483715258 899372267 /nfs/dbraw/zinc/37/22/67/899372267.db2.gz RHGIOSIMXOJZFY-HNNXBMFYSA-N 0 1 408.951 4.082 20 0 HIADMN CO[C@@H](C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(O)cc1 ZINC000483718428 899377202 /nfs/dbraw/zinc/37/72/02/899377202.db2.gz CZJFLVHEEXQKLU-JOCHJYFZSA-N 0 1 405.429 4.325 20 0 HIADMN Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)N2CCCC2)o1 ZINC000483724222 899383482 /nfs/dbraw/zinc/38/34/82/899383482.db2.gz BXSRMCSYEMUBIX-ZACQAIPSSA-N 0 1 401.473 4.393 20 0 HIADMN COc1cccc([C@@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000483731822 899391542 /nfs/dbraw/zinc/39/15/42/899391542.db2.gz RHWJZOGOSHVLHK-MRXNPFEDSA-N 0 1 412.511 4.137 20 0 HIADMN CC[C@@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccccc1OC(F)F ZINC000483741274 899403557 /nfs/dbraw/zinc/40/35/57/899403557.db2.gz CSKIERDFCUMNLQ-MJGOQNOKSA-N 0 1 401.457 4.167 20 0 HIADMN Cc1c2ccccc2oc1[C@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)C(C)C ZINC000483758929 899422355 /nfs/dbraw/zinc/42/23/55/899422355.db2.gz PEDBTJCYHYIVDY-SIKLNZKXSA-N 0 1 413.562 4.192 20 0 HIADMN Cc1cccc2nc(CNC(=O)N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)cn21 ZINC000483800151 899473688 /nfs/dbraw/zinc/47/36/88/899473688.db2.gz GAJYIQGOYMAWAU-GOSISDBHSA-N 0 1 408.893 4.219 20 0 HIADMN Cc1c2ccccc2oc1[C@H](NC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1)C(C)C ZINC000483827882 899505263 /nfs/dbraw/zinc/50/52/63/899505263.db2.gz APJANEOHOCDQLW-HTAPYJJXSA-N 0 1 413.562 4.333 20 0 HIADMN CCC1(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CCOCC1 ZINC000483850229 899533265 /nfs/dbraw/zinc/53/32/65/899533265.db2.gz WSEUKOWRROQPPF-UHFFFAOYSA-N 0 1 421.585 4.150 20 0 HIADMN COc1ccnc(N2CCN(C(=O)N[C@H](c3oc4ccccc4c3C)C(C)C)CC2)c1 ZINC000483859036 899542060 /nfs/dbraw/zinc/54/20/60/899542060.db2.gz SBESYNAFYRJWFC-QFIPXVFZSA-N 0 1 422.529 4.374 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000483870467 899550573 /nfs/dbraw/zinc/55/05/73/899550573.db2.gz ZBWKNIGDKYGFGY-MRXNPFEDSA-N 0 1 414.465 4.480 20 0 HIADMN Cc1ccc(NC(=O)N2CCC(CCCN3CCOCC3)CC2)c(Br)c1 ZINC000483873218 899551866 /nfs/dbraw/zinc/55/18/66/899551866.db2.gz RBZCXMHPWVMWBM-UHFFFAOYSA-N 0 1 424.383 4.114 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc(N4CCCC4)c3)cc2)C[C@H](C)O1 ZINC000505661674 914358813 /nfs/dbraw/zinc/35/88/13/914358813.db2.gz NQIPKDQUSBPQCH-PMACEKPBSA-N 0 1 422.573 4.218 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)nc2)[nH]n1 ZINC000483885552 899561548 /nfs/dbraw/zinc/56/15/48/899561548.db2.gz KSPBHOFRWSQIKP-UHFFFAOYSA-N 0 1 416.485 4.483 20 0 HIADMN O=C(Nc1ccccc1CC(F)(F)F)N1CCC(CCCN2CCOCC2)CC1 ZINC000483929376 899589182 /nfs/dbraw/zinc/58/91/82/899589182.db2.gz VLXJVWKCIRNJLO-UHFFFAOYSA-N 0 1 413.484 4.148 20 0 HIADMN CCCn1ccc2ccc(NC(=O)N3CCC(CCCN4CCOCC4)CC3)cc21 ZINC000483934227 899591932 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ZINC000537876568 938397122 /nfs/dbraw/zinc/39/71/22/938397122.db2.gz NRDQAOHWGKUJCQ-ONGXBYRLSA-N 0 1 419.953 4.027 20 0 HIADMN COc1ccc(CCCNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1OC ZINC000537878896 938397760 /nfs/dbraw/zinc/39/77/60/938397760.db2.gz MWQYMNUSDUIEII-UHFFFAOYSA-N 0 1 404.417 4.272 20 0 HIADMN O=C(NCc1ccc(N2CCCCC2)nc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000537878607 938397782 /nfs/dbraw/zinc/39/77/82/938397782.db2.gz IPKPVVBOFOZJJC-UHFFFAOYSA-N 0 1 400.433 4.208 20 0 HIADMN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000537881684 938398423 /nfs/dbraw/zinc/39/84/23/938398423.db2.gz SPFKYDPMUSLZEA-AWEZNQCLSA-N 0 1 416.428 4.187 20 0 HIADMN C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1noc(Cc2ccccc2)n1 ZINC000537881563 938398432 /nfs/dbraw/zinc/39/84/32/938398432.db2.gz PSNBECMPNIIORV-LLVKDONJSA-N 0 1 412.400 4.357 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000537882477 938398901 /nfs/dbraw/zinc/39/89/01/938398901.db2.gz TWDIIEWUFUPYEG-NSHDSACASA-N 0 1 419.819 4.081 20 0 HIADMN CCn1nc(C)c(NC(=O)NC[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)c1C ZINC000537895954 938403485 /nfs/dbraw/zinc/40/34/85/938403485.db2.gz DBJSIGHHKLKPDM-BEFAXECRSA-N 0 1 407.921 4.127 20 0 HIADMN O=C(NCCc1ccc(O)cc1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000537910206 938409073 /nfs/dbraw/zinc/40/90/73/938409073.db2.gz IRXKITSCOMEVRB-UHFFFAOYSA-N 0 1 414.334 4.287 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cc(C)n(-c3ccccc3)n2)N2CCCC2)c1 ZINC000537913386 938410675 /nfs/dbraw/zinc/41/06/75/938410675.db2.gz SJONPQXTIUAEHZ-JOCHJYFZSA-N 0 1 419.529 4.148 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000537913456 938410709 /nfs/dbraw/zinc/41/07/09/938410709.db2.gz VBVAVYYLESRSMY-GYSYKLTISA-N 0 1 418.366 4.296 20 0 HIADMN O=S(=O)(Cc1ccccc1CN[C@@H]1CCSc2ccc(F)cc21)N1CCCC1 ZINC000537944263 938427023 /nfs/dbraw/zinc/42/70/23/938427023.db2.gz UTPQVVOVOXFXSN-HXUWFJFHSA-N 0 1 420.575 4.078 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)s1 ZINC000537944840 938427677 /nfs/dbraw/zinc/42/76/77/938427677.db2.gz OVQXJLMYDKVCRE-VLIAUNLRSA-N 0 1 410.580 4.331 20 0 HIADMN C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000537947788 938428670 /nfs/dbraw/zinc/42/86/70/938428670.db2.gz KLVJGFZBVFIUCF-FOIQADDNSA-N 0 1 419.447 4.402 20 0 HIADMN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(-c2ccccc2Br)s1 ZINC000537952925 938430411 /nfs/dbraw/zinc/43/04/11/938430411.db2.gz YJMIPTPHCRSSAQ-LRDDRELGSA-N 0 1 406.349 4.295 20 0 HIADMN C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc(F)cc2)c2cccc(Br)c21 ZINC000537957380 938432853 /nfs/dbraw/zinc/43/28/53/938432853.db2.gz DEOAKKOWUGEMSS-YVEFUNNKSA-N 0 1 412.324 4.200 20 0 HIADMN C[C@@H](N[C@@H](CO)c1ccc(Br)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000537960767 938435098 /nfs/dbraw/zinc/43/50/98/938435098.db2.gz IPGTTZNFRIAVKM-XIKOKIGWSA-N 0 1 403.320 4.063 20 0 HIADMN Cc1ccc(C(=O)NCCN[C@H](C)c2ccc(OC(F)F)cc2OC(F)F)cc1 ZINC000537967795 938438542 /nfs/dbraw/zinc/43/85/42/938438542.db2.gz ARRURTSANWVQAR-CYBMUJFWSA-N 0 1 414.399 4.278 20 0 HIADMN Cc1c([C@H](C)NCCc2nc(-c3ccncc3)cs2)nnn1-c1ccc(C)cc1 ZINC000537969007 938439699 /nfs/dbraw/zinc/43/96/99/938439699.db2.gz IJXIUXLPIPTYAR-INIZCTEOSA-N 0 1 404.543 4.296 20 0 HIADMN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000537972549 938442039 /nfs/dbraw/zinc/44/20/39/938442039.db2.gz PCWOUVQYANLHJY-HZPDHXFCSA-N 0 1 400.548 4.230 20 0 HIADMN COc1cc(Br)c(CN[C@@H](C)CC(=O)Nc2ccccc2C)cc1OC ZINC000537975907 938443709 /nfs/dbraw/zinc/44/37/09/938443709.db2.gz GDVVRRKHLMHQTG-AWEZNQCLSA-N 0 1 421.335 4.282 20 0 HIADMN C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccccc1OC(F)F ZINC000537992344 938453741 /nfs/dbraw/zinc/45/37/41/938453741.db2.gz UCGPQRABRYMSGW-ZACQAIPSSA-N 0 1 418.484 4.388 20 0 HIADMN COCC1(C)CCN([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000537998229 938456804 /nfs/dbraw/zinc/45/68/04/938456804.db2.gz ODXPGHFBHSDBEK-MRXNPFEDSA-N 0 1 415.559 4.076 20 0 HIADMN C[C@H](NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1I ZINC000538017561 938463174 /nfs/dbraw/zinc/46/31/74/938463174.db2.gz GWOGILKEPDQIBG-NSHDSACASA-N 0 1 422.245 4.066 20 0 HIADMN C[C@H](NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1I ZINC000538017561 938463181 /nfs/dbraw/zinc/46/31/81/938463181.db2.gz GWOGILKEPDQIBG-NSHDSACASA-N 0 1 422.245 4.066 20 0 HIADMN COc1cc([C@H](C)N[C@@H]2CCN(CCCc3ccccc3)C2=O)ccc1OC(F)F ZINC000538017852 938463247 /nfs/dbraw/zinc/46/32/47/938463247.db2.gz ISTXSMQKRGOQKG-QFBILLFUSA-N 0 1 418.484 4.181 20 0 HIADMN Fc1ccc(F)c2c1CC[C@@H]2NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000538020903 938465562 /nfs/dbraw/zinc/46/55/62/938465562.db2.gz LTKBTRVCGNSSBM-HNNXBMFYSA-N 0 1 405.246 4.290 20 0 HIADMN Fc1ccc(F)c2c1CC[C@@H]2NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000538020903 938465566 /nfs/dbraw/zinc/46/55/66/938465566.db2.gz LTKBTRVCGNSSBM-HNNXBMFYSA-N 0 1 405.246 4.290 20 0 HIADMN COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H](C)c1nc2ccccc2n1C ZINC000538116331 938506241 /nfs/dbraw/zinc/50/62/41/938506241.db2.gz IJBMLSQKVPNBSK-AWEZNQCLSA-N 0 1 400.910 4.223 20 0 HIADMN O=C1CCCN1C[C@@H](NCc1cc(Br)cc2cccnc21)c1ccccc1 ZINC000538119047 938507491 /nfs/dbraw/zinc/50/74/91/938507491.db2.gz YUNHLLUMZXIAOP-HXUWFJFHSA-N 0 1 424.342 4.451 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000538118443 938507909 /nfs/dbraw/zinc/50/79/09/938507909.db2.gz FBTNSKLSASRRHP-CQSZACIVSA-N 0 1 414.456 4.380 20 0 HIADMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)c(C)c1 ZINC000538120923 938508767 /nfs/dbraw/zinc/50/87/67/938508767.db2.gz PVQPJJIQTLWDIA-LSDHHAIUSA-N 0 1 405.445 4.292 20 0 HIADMN Cc1ccc(CN(C(=O)CN[C@@H](C)c2ccc(OCc3cccnc3)cc2)C2CC2)o1 ZINC000538126072 938511803 /nfs/dbraw/zinc/51/18/03/938511803.db2.gz SVEUSUUPIGZSPB-IBGZPJMESA-N 0 1 419.525 4.404 20 0 HIADMN COc1ccc(CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccccc2OC(C)C)cc1OC ZINC000538126996 938512224 /nfs/dbraw/zinc/51/22/24/938512224.db2.gz VWBJXENLODAEFD-ZWKOTPCHSA-N 0 1 414.546 4.189 20 0 HIADMN Cc1cc(NC(=O)CN[C@H](C)c2cccc(OC(C)C)c2)n(-c2ccc(F)cc2)n1 ZINC000538127589 938513309 /nfs/dbraw/zinc/51/33/09/938513309.db2.gz OACLRWYHHMOMFJ-QGZVFWFLSA-N 0 1 410.493 4.396 20 0 HIADMN COc1ccc([C@@H](CCO)NCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000538129285 938513792 /nfs/dbraw/zinc/51/37/92/938513792.db2.gz MCJNXJKSPJCGKQ-OAQYLSRUSA-N 0 1 422.550 4.498 20 0 HIADMN COc1ccc([C@H](C)NCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000538129012 938513798 /nfs/dbraw/zinc/51/37/98/938513798.db2.gz QTRYGYCBCDKWIN-BXKMTCNYSA-N 0 1 412.530 4.021 20 0 HIADMN CC[C@H](NCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1cccc(Cl)c1 ZINC000538130421 938514863 /nfs/dbraw/zinc/51/48/63/938514863.db2.gz VNVHMAIRVOURHC-IBGZPJMESA-N 0 1 401.938 4.061 20 0 HIADMN Cc1sc2[nH]c(CNC3(c4ccc5c(c4)OCCO5)CCCC3)nc(=O)c2c1C ZINC000538140155 938517720 /nfs/dbraw/zinc/51/77/20/938517720.db2.gz SHSYJSZVZBNIEW-UHFFFAOYSA-N 0 1 411.527 4.344 20 0 HIADMN COc1ccc2c(c1)CCCN2C(=O)CN[C@H](C)c1ccc(Br)cc1 ZINC000538145280 938520010 /nfs/dbraw/zinc/52/00/10/938520010.db2.gz PQJHWKNQTYXJIR-CQSZACIVSA-N 0 1 403.320 4.088 20 0 HIADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2cccc(OCc3ccccn3)c2)C1=O ZINC000538149965 938522180 /nfs/dbraw/zinc/52/21/80/938522180.db2.gz GAYNVNHPMDEKFF-AVRDEDQJSA-N 0 1 417.509 4.125 20 0 HIADMN C[C@@H](N[C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000538150066 938522381 /nfs/dbraw/zinc/52/23/81/938522381.db2.gz GWIBLWJUSOGXAL-IAGOWNOFSA-N 0 1 419.481 4.067 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2ccccc2C)ccc1OCc1ccncc1 ZINC000538155070 938526025 /nfs/dbraw/zinc/52/60/25/938526025.db2.gz JSQRGSRNRVRGQY-GOSISDBHSA-N 0 1 405.498 4.267 20 0 HIADMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(Br)cc2)cc1OC ZINC000538165578 938532009 /nfs/dbraw/zinc/53/20/09/938532009.db2.gz OVMBEEMJBPCRDC-ZDUSSCGKSA-N 0 1 407.308 4.146 20 0 HIADMN CC[C@H](N[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O)c1ccc2c(c1)OCCO2 ZINC000538175083 938535829 /nfs/dbraw/zinc/53/58/29/938535829.db2.gz IVELGWRVZHPGQH-KSSFIOAISA-N 0 1 422.481 4.475 20 0 HIADMN C[C@H](NCC(=O)N[C@H]1CCCC[C@H]1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000538176164 938536734 /nfs/dbraw/zinc/53/67/34/938536734.db2.gz RYRQGGINZIAILS-JLHGSKIFSA-N 0 1 411.521 4.424 20 0 HIADMN CCC(CC)[C@H](NCc1nnc2n1c1ccc(C)cc1c(=O)n2C)c1cccs1 ZINC000538181729 938540863 /nfs/dbraw/zinc/54/08/63/938540863.db2.gz YAOKEUJMVNNEAI-FQEVSTJZSA-N 0 1 409.559 4.218 20 0 HIADMN COc1cc(NC(=O)CN[C@H](c2ccccc2Cl)C(C)C)cc(OC)c1OC ZINC000538186261 938542980 /nfs/dbraw/zinc/54/29/80/938542980.db2.gz GMQSWJXDIKNFPM-FQEVSTJZSA-N 0 1 406.910 4.291 20 0 HIADMN CC(C)(NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cccc(F)c1 ZINC000538211590 938558427 /nfs/dbraw/zinc/55/84/27/938558427.db2.gz ZTWQTNDSCFNULY-HXUWFJFHSA-N 0 1 412.505 4.175 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cc(F)c(Br)c(F)c1 ZINC000538217600 938560538 /nfs/dbraw/zinc/56/05/38/938560538.db2.gz DNXNEQMBDVPNIT-AWEZNQCLSA-N 0 1 414.250 4.279 20 0 HIADMN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000538219525 938562288 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HIADMN CO[C@H](c1noc(-c2cccc(-c3nnc[nH]3)c2)n1)c1ccc(Br)cc1 ZINC000545809885 940605700 /nfs/dbraw/zinc/60/57/00/940605700.db2.gz FCYPVVPELHHEOH-HNNXBMFYSA-N 0 1 412.247 4.020 20 0 HIADMN CC1=CCN(CCNC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000545864448 940643442 /nfs/dbraw/zinc/64/34/42/940643442.db2.gz VQTHHBPKBWCYNM-MRXNPFEDSA-N 0 1 419.978 4.385 20 0 HIADMN Cc1cc(N2CCC[C@@H](N3CCC(OC(C)C)CC3)C2=O)ccc1Br ZINC000545931016 940660367 /nfs/dbraw/zinc/66/03/67/940660367.db2.gz ZTSQJJKKASFYOH-LJQANCHMSA-N 0 1 409.368 4.142 20 0 HIADMN CN(C)c1ccncc1C(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000546150193 940713917 /nfs/dbraw/zinc/71/39/17/940713917.db2.gz PUSFCTPLGZNYCF-KRWDZBQOSA-N 0 1 411.550 4.063 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3scnc3C3CCCC3)cc2)C[C@H](C)O1 ZINC000546158241 940717127 /nfs/dbraw/zinc/71/71/27/940717127.db2.gz VLVMNUDOLDSIEN-CALCHBBNSA-N 0 1 413.587 4.340 20 0 HIADMN O=S(=O)(Cc1noc2ccccc12)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000546171390 940721254 /nfs/dbraw/zinc/72/12/54/940721254.db2.gz CVYLWIPEHANTDO-KRWDZBQOSA-N 0 1 416.890 4.024 20 0 HIADMN COCc1ccccc1CNC(=O)CNC(c1ccccc1C)c1ccccc1C ZINC000546180299 940722684 /nfs/dbraw/zinc/72/26/84/940722684.db2.gz XROJPGOFAKVIMD-UHFFFAOYSA-N 0 1 402.538 4.445 20 0 HIADMN CCCc1c(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cnn1-c1cc(C)ccn1 ZINC000546217625 940732067 /nfs/dbraw/zinc/73/20/67/940732067.db2.gz HISLJRTZXSPIPS-NRFANRHFSA-N 0 1 424.524 4.092 20 0 HIADMN Cc1ccccc1C(N[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1C ZINC000546227848 940735424 /nfs/dbraw/zinc/73/54/24/940735424.db2.gz DOLDADKXLFGAGQ-GOSISDBHSA-N 0 1 401.510 4.109 20 0 HIADMN Cc1ccccc1C(N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1C ZINC000546227849 940735721 /nfs/dbraw/zinc/73/57/21/940735721.db2.gz DOLDADKXLFGAGQ-SFHVURJKSA-N 0 1 401.510 4.109 20 0 HIADMN Cc1[nH]c2ccc(-c3noc(CNS(=O)(=O)c4ccc(Cl)s4)n3)cc2c1C ZINC000546354896 940800147 /nfs/dbraw/zinc/80/01/47/940800147.db2.gz NVQKGPSZFZNFKR-UHFFFAOYSA-N 0 1 422.919 4.028 20 0 HIADMN CCN1CCN(c2ccc(-c3noc(-c4cc(F)cc(C(F)(F)F)c4)n3)cn2)CC1 ZINC000546401929 940811598 /nfs/dbraw/zinc/81/15/98/940811598.db2.gz MMZZAFYKTVGCMM-UHFFFAOYSA-N 0 1 421.398 4.098 20 0 HIADMN CN1CCCN(c2ccc(-c3noc([C@H]4Cc5ccccc5O4)n3)cc2Cl)CC1 ZINC000546446133 940821714 /nfs/dbraw/zinc/82/17/14/940821714.db2.gz RJKVFYYFAJMZPU-HXUWFJFHSA-N 0 1 410.905 4.208 20 0 HIADMN CCOCCC1(c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)CCC1 ZINC000546450010 940822827 /nfs/dbraw/zinc/82/28/27/940822827.db2.gz ZVWFDKABARPCRF-UHFFFAOYSA-N 0 1 418.969 4.380 20 0 HIADMN C[C@@H]1CC[C@@H](CCc2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)O1 ZINC000546477413 940830859 /nfs/dbraw/zinc/83/08/59/940830859.db2.gz FQWAGUGLUGARFE-WBVHZDCISA-N 0 1 404.942 4.032 20 0 HIADMN CN1CCCN(c2ccc(-c3noc(CC4CCSCC4)n3)cc2Cl)CC1 ZINC000546481084 940831543 /nfs/dbraw/zinc/83/15/43/940831543.db2.gz CLRHLPPUWPBUHH-UHFFFAOYSA-N 0 1 406.983 4.218 20 0 HIADMN CC(C)Cn1cc(-c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)cn1 ZINC000546480427 940831572 /nfs/dbraw/zinc/83/15/72/940831572.db2.gz YVEQEMGORRDUNB-UHFFFAOYSA-N 0 1 414.941 4.051 20 0 HIADMN CN1CCN(c2ccnc(-c3noc([C@H]4C[C@@H]4c4cccc5ccccc54)n3)c2)CC1 ZINC000546505605 940838711 /nfs/dbraw/zinc/83/87/11/940838711.db2.gz WXGQNNBRPMCMDT-YADHBBJMSA-N 0 1 411.509 4.308 20 0 HIADMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccncc4N4CCCC4)no3)cc2)C[C@@H](C)O1 ZINC000546523709 940843104 /nfs/dbraw/zinc/84/31/04/940843104.db2.gz IJRIKJZDFMLWRA-QZTJIDSGSA-N 0 1 419.529 4.008 20 0 HIADMN CCOc1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc(Cl)c1[O-] ZINC000546561020 940853575 /nfs/dbraw/zinc/85/35/75/940853575.db2.gz ZDGHYNUWQJIIAH-UHFFFAOYSA-N 0 1 414.933 4.107 20 0 HIADMN CCOc1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc(Cl)c1[O-] ZINC000546561020 940853577 /nfs/dbraw/zinc/85/35/77/940853577.db2.gz ZDGHYNUWQJIIAH-UHFFFAOYSA-N 0 1 414.933 4.107 20 0 HIADMN CN1CCN(c2ncnc3cc(F)c(Br)cc32)[C@@H](c2ccccc2)C1 ZINC000546572733 940855823 /nfs/dbraw/zinc/85/58/23/940855823.db2.gz MTLURKXSVPBBEV-GOSISDBHSA-N 0 1 401.283 4.025 20 0 HIADMN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)C1 ZINC000546573432 940855886 /nfs/dbraw/zinc/85/58/86/940855886.db2.gz KPARAIITYWRJHW-OAHLLOKOSA-N 0 1 422.510 4.328 20 0 HIADMN COc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(CCN2CCOCC2)cc1)CC3 ZINC000546604350 940860367 /nfs/dbraw/zinc/86/03/67/940860367.db2.gz PWGOVMWSRCOPQI-FQEVSTJZSA-N 0 1 405.542 4.021 20 0 HIADMN C[C@@](O)(C1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1)C(F)(F)F ZINC000546638193 940864011 /nfs/dbraw/zinc/86/40/11/940864011.db2.gz ZTTSNQDOEMQLPU-IFMALSPDSA-N 0 1 423.475 4.119 20 0 HIADMN Cc1ccccc1-n1ncc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c1N ZINC000546685624 940869230 /nfs/dbraw/zinc/86/92/30/940869230.db2.gz CXOQKBHTCHOWNA-HSZRJFAPSA-N 0 1 422.492 4.159 20 0 HIADMN O=C(NCc1ccccc1N1CCOCC1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000546745884 940875679 /nfs/dbraw/zinc/87/56/79/940875679.db2.gz SSJMGZORMDQLIB-UHFFFAOYSA-N 0 1 418.522 4.058 20 0 HIADMN O=S(=O)(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccc(Br)o1 ZINC000546801671 940885419 /nfs/dbraw/zinc/88/54/19/940885419.db2.gz UREDYROBTKROLI-HNNXBMFYSA-N 0 1 416.293 4.311 20 0 HIADMN CC[C@H]1CN(C(=O)c2ccccc2COC2CCOCC2)CCN1Cc1ccccc1 ZINC000546818788 940887955 /nfs/dbraw/zinc/88/79/55/940887955.db2.gz ZYKCTTQKHSLKOJ-QHCPKHFHSA-N 0 1 422.569 4.119 20 0 HIADMN Cc1cc(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)n(C2CCOCC2)n1 ZINC000546830870 940890278 /nfs/dbraw/zinc/89/02/78/940890278.db2.gz BMQRSFUJEKFDDE-UHFFFAOYSA-N 0 1 407.499 4.400 20 0 HIADMN Cc1cc(Br)cn2cc(CN[C@H](C)c3ccc(-n4cccn4)cc3)nc12 ZINC000546874050 940899200 /nfs/dbraw/zinc/89/92/00/940899200.db2.gz GPGQJTODPMYVQZ-OAHLLOKOSA-N 0 1 410.319 4.442 20 0 HIADMN NC(=O)[C@H]1CCCN1Cc1ccccc1-c1noc(-c2csc3ccccc23)n1 ZINC000547105938 940998558 /nfs/dbraw/zinc/99/85/58/940998558.db2.gz VDUZRGXZRKWWHL-GOSISDBHSA-N 0 1 404.495 4.068 20 0 HIADMN Cc1c2cc(F)ccc2oc1-c1nc(-c2ccccc2CN2CCC[C@H]2C(N)=O)no1 ZINC000547106611 940999230 /nfs/dbraw/zinc/99/92/30/940999230.db2.gz KBPSNKYVAMPSIM-SFHVURJKSA-N 0 1 420.444 4.047 20 0 HIADMN CCN(CC)[C@H](CNC(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccco1 ZINC000564059751 945367261 /nfs/dbraw/zinc/36/72/61/945367261.db2.gz AHPRMHFRFYOVIN-OAHLLOKOSA-N 0 1 419.432 4.472 20 0 HIADMN Cc1cc(-c2noc(-c3csc(-c4ccc5c(c4)OCO5)n3)n2)cc2nc[nH]c21 ZINC000547140361 941009608 /nfs/dbraw/zinc/00/96/08/941009608.db2.gz SLNPPTJEWMFDTF-UHFFFAOYSA-N 0 1 403.423 4.441 20 0 HIADMN Cc1cc(-c2noc(COc3cccc(NC(=O)c4ccco4)c3)n2)cc2nc[nH]c21 ZINC000547144803 941010388 /nfs/dbraw/zinc/01/03/88/941010388.db2.gz UZBIHBIEDLHGGK-UHFFFAOYSA-N 0 1 415.409 4.346 20 0 HIADMN CCc1nc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)nn1-c1ccccc1Cl ZINC000547148713 941011883 /nfs/dbraw/zinc/01/18/83/941011883.db2.gz OTBYCUREXLEBEW-UHFFFAOYSA-N 0 1 405.849 4.385 20 0 HIADMN O=c1[nH]c2ccc(-c3noc(-c4cc(-c5ccc(Br)cc5)n[nH]4)n3)cc2[nH]1 ZINC000547151582 941012675 /nfs/dbraw/zinc/01/26/75/941012675.db2.gz WMDJYWXHYSGLOD-UHFFFAOYSA-N 0 1 423.230 4.138 20 0 HIADMN c1cc2c(ncnc2N2CCC[C@@H](c3nc(-c4ccc5[nH]cnc5c4)no3)C2)s1 ZINC000547159517 941015649 /nfs/dbraw/zinc/01/56/49/941015649.db2.gz KQZPZFDJFNTJDM-CYBMUJFWSA-N 0 1 403.471 4.002 20 0 HIADMN Cc1cc(C)n(Cc2cccc(-c3nc(-c4ccc(F)c(CN(C)C)c4)no3)c2)n1 ZINC000547164481 941017450 /nfs/dbraw/zinc/01/74/50/941017450.db2.gz PHEWSFQESUIXST-UHFFFAOYSA-N 0 1 405.477 4.466 20 0 HIADMN CO[C@H](c1noc(-c2cc(-c3ccoc3)n[nH]2)n1)c1ccc(Br)cc1 ZINC000547222846 941036938 /nfs/dbraw/zinc/03/69/38/941036938.db2.gz POSGWJGCQIFTFV-HNNXBMFYSA-N 0 1 401.220 4.218 20 0 HIADMN COCCOc1ccccc1S(=O)(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000547244936 941041742 /nfs/dbraw/zinc/04/17/42/941041742.db2.gz DSIMVNOWEVTPNR-UHFFFAOYSA-N 0 1 402.516 4.123 20 0 HIADMN CC(C)c1ccc([C@@H]2C[C@H]2c2nc(-c3cccc(N4CCN(C)CC4)n3)no2)cc1 ZINC000547249047 941043274 /nfs/dbraw/zinc/04/32/74/941043274.db2.gz BNOGDFOYAUBZAN-VQTJNVASSA-N 0 1 403.530 4.278 20 0 HIADMN CC(C)c1ccc(SCc2nc(-c3cccc(N4CCN(C)CC4)n3)no2)cc1 ZINC000547254118 941044476 /nfs/dbraw/zinc/04/44/76/941044476.db2.gz RSAYAVGYRFXBAU-UHFFFAOYSA-N 0 1 409.559 4.299 20 0 HIADMN Cc1cc(C(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c(C)n1Cc1ccncc1 ZINC000547283689 941051952 /nfs/dbraw/zinc/05/19/52/941051952.db2.gz WZDCYRUTUUJGLB-LEWJYISDSA-N 0 1 416.569 4.283 20 0 HIADMN Cc1c(-c2cc(CN[C@@H](C)c3ccc(OCc4cccnc4)cc3)on2)cnn1C ZINC000547351752 941057746 /nfs/dbraw/zinc/05/77/46/941057746.db2.gz ABHIPCCTHGLRFJ-INIZCTEOSA-N 0 1 403.486 4.208 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cc(COc2ccccc2F)on1)c1ccc(Cl)cc1 ZINC000547353733 941057981 /nfs/dbraw/zinc/05/79/81/941057981.db2.gz METCFYDHMDMKBP-IBGZPJMESA-N 0 1 417.868 4.079 20 0 HIADMN CC(C)N(Cc1ccccn1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000547423247 941061732 /nfs/dbraw/zinc/06/17/32/941061732.db2.gz JTUBIZIJNGISSF-LJQANCHMSA-N 0 1 408.468 4.323 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cncnc1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000547426068 941061949 /nfs/dbraw/zinc/06/19/49/941061949.db2.gz HABUNAWBTFBQEU-LJQANCHMSA-N 0 1 414.431 4.195 20 0 HIADMN COC(=O)c1ccccc1-c1ccc(CNCc2ccc(OCC(F)(F)F)nc2)o1 ZINC000547522373 941067393 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O=C([O-])C[C@H]([NH2+]Cc1ccc(-c2ccncc2)cc1F)c1cnn(-c2ccccc2)c1 ZINC000426762853 856464895 /nfs/dbraw/zinc/46/48/95/856464895.db2.gz OAAFTRWYEFNRTB-QHCPKHFHSA-N 0 1 416.456 4.379 20 0 HIADMN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)o1 ZINC000426801942 856487144 /nfs/dbraw/zinc/48/71/44/856487144.db2.gz WOGVVWFLQXLYRK-KRWDZBQOSA-N 0 1 418.291 4.150 20 0 HIADMN COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2csc(-c3ccc(C)cc3)n2)cc1OC ZINC000426806680 856489253 /nfs/dbraw/zinc/48/92/53/856489253.db2.gz KXKVJCCLPIAABH-GOSISDBHSA-N 0 1 412.511 4.441 20 0 HIADMN COc1cc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc(OC)c1OCc1ccccc1 ZINC000426809393 856491297 /nfs/dbraw/zinc/49/12/97/856491297.db2.gz DDOOPHAPBDYYEC-HXUWFJFHSA-N 0 1 413.495 4.260 20 0 HIADMN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(Br)c1O ZINC000426827165 856501750 /nfs/dbraw/zinc/50/17/50/856501750.db2.gz QYXGEBVIKOVTAU-ZDUSSCGKSA-N 0 1 414.683 4.122 20 0 HIADMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000426892195 856529422 /nfs/dbraw/zinc/52/94/22/856529422.db2.gz VGRHWTIRHCRVBO-FCHUYYIVSA-N 0 1 414.615 4.380 20 0 HIADMN COc1cccc2c(C(=O)Nc3cccc(-c4cn(Cc5ccccc5)nn4)c3)n[nH]c21 ZINC000426955508 856562554 /nfs/dbraw/zinc/56/25/54/856562554.db2.gz JRKWLCPILYKDTJ-UHFFFAOYSA-N 0 1 424.464 4.131 20 0 HIADMN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000426965657 856566637 /nfs/dbraw/zinc/56/66/37/856566637.db2.gz VGOMRLGEIWLTBK-WIBUTAKZSA-N 0 1 420.966 4.118 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000426978068 856575141 /nfs/dbraw/zinc/57/51/41/856575141.db2.gz PELWBSSBLQDHBT-AWEZNQCLSA-N 0 1 407.967 4.294 20 0 HIADMN Cc1nnc(SCCC(=O)N(Cc2ccccc2Br)C2CCCC2)[nH]1 ZINC000427091216 856629566 /nfs/dbraw/zinc/62/95/66/856629566.db2.gz CDRWAPFTSYLVFJ-UHFFFAOYSA-N 0 1 423.380 4.329 20 0 HIADMN CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCc3ccc(Cl)cc3F)c2C1 ZINC000427091790 856630973 /nfs/dbraw/zinc/63/09/73/856630973.db2.gz GAMRQKIOHYYEBP-CQSZACIVSA-N 0 1 417.912 4.094 20 0 HIADMN COc1ccc(-c2n[nH]c(NC(=O)c3c[nH]cc3-c3ccc(C)s3)n2)c(OC)c1 ZINC000427109322 856644025 /nfs/dbraw/zinc/64/40/25/856644025.db2.gz GSQITXLYFCJCHL-UHFFFAOYSA-N 0 1 409.471 4.106 20 0 HIADMN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(C)sc3c2)cc1Cl ZINC000427111628 856645010 /nfs/dbraw/zinc/64/50/10/856645010.db2.gz TZEZTUYDWJNQHM-UHFFFAOYSA-N 0 1 423.947 4.199 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H]3CCN(c4cccc(Cl)c4)C3=O)n2)cc1 ZINC000427124938 856653106 /nfs/dbraw/zinc/65/31/06/856653106.db2.gz XQPIVHSAJIPHPN-INIZCTEOSA-N 0 1 400.891 4.031 20 0 HIADMN Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OCc3cscn3)cc2s1 ZINC000427196709 856707064 /nfs/dbraw/zinc/70/70/64/856707064.db2.gz HWOIRSRXRGZQSV-UHFFFAOYSA-N 0 1 417.537 4.441 20 0 HIADMN C[C@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCN1Cc1ccccc1 ZINC000437464420 862827007 /nfs/dbraw/zinc/82/70/07/862827007.db2.gz XHAOPDSIZDTGSI-SFHVURJKSA-N 0 1 408.933 4.262 20 0 HIADMN Cc1cc(C[C@@H](C)NC(=O)c2ccccc2-c2nc(-c3cccc(Cl)c3)no2)n[nH]1 ZINC000427262925 856742214 /nfs/dbraw/zinc/74/22/14/856742214.db2.gz NXPIGYHKFQKWBV-CYBMUJFWSA-N 0 1 421.888 4.450 20 0 HIADMN CCN(CCNC(=O)c1cnn(-c2ccccc2C)c1C(C)C)CCC(F)(F)F ZINC000427289567 856753656 /nfs/dbraw/zinc/75/36/56/856753656.db2.gz VODORJUKQJTHJS-UHFFFAOYSA-N 0 1 410.484 4.308 20 0 HIADMN CN(Cc1ccccc1NC(=O)c1ncccc1O)C(=O)c1cc2ccccc2o1 ZINC000427474131 856835777 /nfs/dbraw/zinc/83/57/77/856835777.db2.gz PAMNEJPZLDKLEG-UHFFFAOYSA-N 0 1 401.422 4.058 20 0 HIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000427532850 856853366 /nfs/dbraw/zinc/85/33/66/856853366.db2.gz CKNYPQKWZSYKCK-AWEZNQCLSA-N 0 1 417.309 4.143 20 0 HIADMN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1F ZINC000427583610 856877574 /nfs/dbraw/zinc/87/75/74/856877574.db2.gz PPBKXSYPWBNQSO-UHFFFAOYSA-N 0 1 406.385 4.157 20 0 HIADMN Cc1cc(C)n(-c2ccc(CN[C@H]3CCCc4ncc(C(F)(F)F)cc43)cn2)n1 ZINC000427610907 856887157 /nfs/dbraw/zinc/88/71/57/856887157.db2.gz WVNZQKRIWHGKCC-SFHVURJKSA-N 0 1 401.436 4.465 20 0 HIADMN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000427623483 856890339 /nfs/dbraw/zinc/89/03/39/856890339.db2.gz NQLHEBBQVIDYKH-UHFFFAOYSA-N 0 1 416.474 4.022 20 0 HIADMN O=C(NCCOc1ncccc1C(F)(F)F)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427667616 856902039 /nfs/dbraw/zinc/90/20/39/856902039.db2.gz DJWWNXMZYGVKII-UHFFFAOYSA-N 0 1 416.812 4.014 20 0 HIADMN COc1ccccc1N1CCC(N[C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000427689332 856909575 /nfs/dbraw/zinc/90/95/75/856909575.db2.gz HTSZNJQWBZZRBU-ZDUSSCGKSA-N 0 1 408.315 4.311 20 0 HIADMN COc1cccc([C@@H]2CN(C(=O)c3cn[nH]c3-c3ccc(Cl)s3)CCO2)c1 ZINC000427749795 856937229 /nfs/dbraw/zinc/93/72/29/856937229.db2.gz VOLLTAVJFIGRTB-HNNXBMFYSA-N 0 1 403.891 4.014 20 0 HIADMN O=C(CNC(=O)c1c(F)cccc1Cl)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427797143 856959565 /nfs/dbraw/zinc/95/95/65/856959565.db2.gz KKUPLHNNTLCGDN-UHFFFAOYSA-N 0 1 422.847 4.391 20 0 HIADMN Cc1cc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2OCCc3sccc32)ccc1Br ZINC000427817266 856968392 /nfs/dbraw/zinc/96/83/92/856968392.db2.gz LHMSRMGWJNDRAJ-ZJNRKIDTSA-N 0 1 423.376 4.438 20 0 HIADMN COc1cccc(NC(=O)[C@@H](N[C@H]2CCN(c3ccccc3F)C2)c2ccccc2)c1 ZINC000427833062 856974439 /nfs/dbraw/zinc/97/44/39/856974439.db2.gz OFWSHEWFWOZURE-RDPSFJRHSA-N 0 1 419.500 4.383 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(Br)cc1)[C@@H]1OCCc2sccc21 ZINC000427856339 856983912 /nfs/dbraw/zinc/98/39/12/856983912.db2.gz NDOFFPAKGCTJCB-PEBVRCNWSA-N 0 1 409.349 4.130 20 0 HIADMN Cc1ccc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1OC(C)C ZINC000427858255 856984677 /nfs/dbraw/zinc/98/46/77/856984677.db2.gz KTKRVLZTOANKOF-UHFFFAOYSA-N 0 1 402.401 4.173 20 0 HIADMN COc1cc(C)cc(NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c1C ZINC000427880804 856991404 /nfs/dbraw/zinc/99/14/04/856991404.db2.gz WXUMIMCXQJVVBU-KRWDZBQOSA-N 0 1 409.530 4.249 20 0 HIADMN C[C@H](N(C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)C1(C)CC1 ZINC000437516207 862862453 /nfs/dbraw/zinc/86/24/53/862862453.db2.gz OSIRVCNJTPYSLX-INIZCTEOSA-N 0 1 400.544 4.173 20 0 HIADMN CCc1ccc([C@H](NC[C@@H]2CCC(C)(C)O2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000427965531 857026366 /nfs/dbraw/zinc/02/63/66/857026366.db2.gz QWKDURMXOOVWIO-UNMCSNQZSA-N 0 1 401.572 4.289 20 0 HIADMN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000428042203 857052774 /nfs/dbraw/zinc/05/27/74/857052774.db2.gz UKTLDVZBFRAHTM-JTQLQIEISA-N 0 1 404.239 4.312 20 0 HIADMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)c4ncc(F)cc4F)cc3)CC2)c1 ZINC000428172794 857096582 /nfs/dbraw/zinc/09/65/82/857096582.db2.gz AIBMMXDBYKQYOF-UHFFFAOYSA-N 0 1 422.479 4.243 20 0 HIADMN COc1ccc(-c2[nH]ncc2C(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1 ZINC000428253336 857127228 /nfs/dbraw/zinc/12/72/28/857127228.db2.gz BBVUGIPDZSSAGP-UHFFFAOYSA-N 0 1 413.890 4.453 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ncc(C)s1)N1CCCCC1 ZINC000428275081 857136112 /nfs/dbraw/zinc/13/61/12/857136112.db2.gz GCQLKJYKJXLTFV-AEFFLSMTSA-N 0 1 402.564 4.048 20 0 HIADMN COc1ccc(NC(=O)CC2(C)CC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000428351399 857167947 /nfs/dbraw/zinc/16/79/47/857167947.db2.gz HYVRVTMBHYBKQW-UHFFFAOYSA-N 0 1 408.907 4.278 20 0 HIADMN Cc1cnc([C@@H](C)NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000428393010 857188444 /nfs/dbraw/zinc/18/84/44/857188444.db2.gz LYUHZIYDUHBRGO-OAHLLOKOSA-N 0 1 406.983 4.377 20 0 HIADMN COc1c(C)ccc(NC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)c1C ZINC000437552997 862881997 /nfs/dbraw/zinc/88/19/97/862881997.db2.gz ALUQPHCTEDQTRF-QGZVFWFLSA-N 0 1 409.530 4.249 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C3(Cc4ccccc4)CC3)CC2)c1C ZINC000437555756 862883472 /nfs/dbraw/zinc/88/34/72/862883472.db2.gz IXBCZSNKNWGTKM-UHFFFAOYSA-N 0 1 421.585 4.153 20 0 HIADMN C[C@@H](CNC(=O)N1CCC(c2ncccc2Cl)CC1)N1CCc2ccccc2C1 ZINC000428482846 857221445 /nfs/dbraw/zinc/22/14/45/857221445.db2.gz IEWRSTBTEFIYDV-KRWDZBQOSA-N 0 1 412.965 4.071 20 0 HIADMN COCCOc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000428497080 857226416 /nfs/dbraw/zinc/22/64/16/857226416.db2.gz GNOYCNHUPQEGMB-FQEVSTJZSA-N 0 1 413.905 4.148 20 0 HIADMN CCN(CC)[C@@H](C(=O)N1CCC[C@@](CC)(CO)C1)c1cccc(C(F)(F)F)c1 ZINC000428515937 857235662 /nfs/dbraw/zinc/23/56/62/857235662.db2.gz LBNOKCGNWSOXBU-UYAOXDASSA-N 0 1 400.485 4.099 20 0 HIADMN COCCS(=O)(=O)c1ccc(CNCc2cc(Cl)cc(C(F)(F)F)c2)cc1 ZINC000428530704 857244806 /nfs/dbraw/zinc/24/48/06/857244806.db2.gz DHNZGDZHDYULEA-UHFFFAOYSA-N 0 1 421.868 4.069 20 0 HIADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H](C)Oc1ccc(Cl)cc1 ZINC000428558267 857265082 /nfs/dbraw/zinc/26/50/82/857265082.db2.gz LVMUVNQYKMQVIH-ZDUSSCGKSA-N 0 1 402.343 4.344 20 0 HIADMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000428584970 857272171 /nfs/dbraw/zinc/27/21/71/857272171.db2.gz QDIVTJUFWVIKFX-UHFFFAOYSA-N 0 1 417.874 4.151 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC(c2ncccc2Cl)CC1 ZINC000428694088 857299359 /nfs/dbraw/zinc/29/93/59/857299359.db2.gz RVFNCGRLVXWZKX-GOSISDBHSA-N 0 1 402.926 4.054 20 0 HIADMN COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000428722012 857310292 /nfs/dbraw/zinc/31/02/92/857310292.db2.gz VMUVOSRWAJBKMV-NQIIRXRSSA-N 0 1 418.921 4.094 20 0 HIADMN COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000428724592 857311101 /nfs/dbraw/zinc/31/11/01/857311101.db2.gz MZYCOETXYRUVJX-UHFFFAOYSA-N 0 1 407.655 4.149 20 0 HIADMN O=C(NCC1CC1)[C@@H]1CCCN([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000428776880 857332213 /nfs/dbraw/zinc/33/22/13/857332213.db2.gz GLCIOQQGPCQGCA-FGZHOGPDSA-N 0 1 416.525 4.064 20 0 HIADMN CCC(C)(C)OCc1cccc(NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1C ZINC000428779405 857333991 /nfs/dbraw/zinc/33/39/91/857333991.db2.gz FKOKFSBSPOSVBE-FQEVSTJZSA-N 0 1 417.594 4.276 20 0 HIADMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](CO)c1ccc(Br)cc1 ZINC000428781263 857335044 /nfs/dbraw/zinc/33/50/44/857335044.db2.gz JAVRCIWJFOKHAV-PXAZEXFGSA-N 0 1 411.727 4.061 20 0 HIADMN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000428789281 857339968 /nfs/dbraw/zinc/33/99/68/857339968.db2.gz YLLVVUZKGRFVIB-UHFFFAOYSA-N 0 1 401.457 4.080 20 0 HIADMN COC(=O)[C@@]1(c2ccccc2)CCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000428811864 857356226 /nfs/dbraw/zinc/35/62/26/857356226.db2.gz KYYFKTHETKHBTP-KOSHJBKYSA-N 0 1 405.498 4.231 20 0 HIADMN COC(=O)[C@]1(c2ccccc2)CCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000428811865 857356447 /nfs/dbraw/zinc/35/64/47/857356447.db2.gz KYYFKTHETKHBTP-MHECFPHRSA-N 0 1 405.498 4.231 20 0 HIADMN CCOc1ccc(-c2nc(CN3CC[C@@](C(=O)OC)(c4ccccc4)C3)co2)cc1 ZINC000428816284 857359211 /nfs/dbraw/zinc/35/92/11/857359211.db2.gz XCMHELYYXITIQG-DEOSSOPVSA-N 0 1 406.482 4.057 20 0 HIADMN C[C@@H](NCc1nc2ccc(F)cc2s1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000428859861 857375187 /nfs/dbraw/zinc/37/51/87/857375187.db2.gz JOBNICRARXNHQD-CQSZACIVSA-N 0 1 402.514 4.177 20 0 HIADMN CS(=O)(=O)CC[C@@H]1CCCCN1CCCCOc1cccc(C(F)(F)F)c1 ZINC000428869098 857379948 /nfs/dbraw/zinc/37/99/48/857379948.db2.gz AEVBDIXMLJBYKQ-KRWDZBQOSA-N 0 1 407.498 4.154 20 0 HIADMN COc1ccc(CN([C@@H]2CC[C@](C)(c3ccccc3)C2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000437593773 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0 1 406.530 4.102 20 0 HIADMN O=C1[C@@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000430748712 858287379 /nfs/dbraw/zinc/28/73/79/858287379.db2.gz RDCWGAQCLIZRDW-KNQAVFIVSA-N 0 1 413.537 4.023 20 0 HIADMN O=C1[C@H]2C[C@@H](C3CCCCC3)CN2C(=O)N1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000430748711 858287518 /nfs/dbraw/zinc/28/75/18/858287518.db2.gz RDCWGAQCLIZRDW-DENIHFKCSA-N 0 1 413.537 4.023 20 0 HIADMN Cc1nc(CN(C)[C@H]2CCCN(Cc3cc(Cl)ccc3OCC3CC3)CC2)no1 ZINC000430754455 858289962 /nfs/dbraw/zinc/28/99/62/858289962.db2.gz MSMSLIQWXSCUBC-FQEVSTJZSA-N 0 1 418.969 4.307 20 0 HIADMN CN1CCN(c2ccc(NC(=O)C3(Cc4ccccc4)CC3)c(C(F)(F)F)c2)CC1 ZINC000437672118 863014829 /nfs/dbraw/zinc/01/48/29/863014829.db2.gz IZVJUXKVFOJMIX-UHFFFAOYSA-N 0 1 417.475 4.419 20 0 HIADMN Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000437672773 863014972 /nfs/dbraw/zinc/01/49/72/863014972.db2.gz KAOHCVACWWJITM-UHFFFAOYSA-N 0 1 405.163 4.951 20 0 HIADMN CCOc1ccc(-c2nc(C[S@](=O)Cc3n[nH]c(C(C)(C)C)n3)cs2)cc1 ZINC000430915336 858368842 /nfs/dbraw/zinc/36/88/42/858368842.db2.gz CGFRQMLWXPGSPA-MHZLTWQESA-N 0 1 404.561 4.073 20 0 HIADMN O=C1N[C@@H](Cc2cccc3ccccc32)C(=O)N1C[C@@H](c1ccco1)N1CCCCC1 ZINC000430943141 858377842 /nfs/dbraw/zinc/37/78/42/858377842.db2.gz GKNNBBOKVWQIFN-VXKWHMMOSA-N 0 1 417.509 4.123 20 0 HIADMN O=C(NC[C@H]1CCC(F)(F)C1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000431056989 858424233 /nfs/dbraw/zinc/42/42/33/858424233.db2.gz MRJLIWBMDJPRQA-INIZCTEOSA-N 0 1 419.438 4.358 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H]2CCC(F)(F)C2)cc1 ZINC000431109143 858450267 /nfs/dbraw/zinc/45/02/67/858450267.db2.gz VZSCFYBSDLUTNP-CYBMUJFWSA-N 0 1 414.499 4.023 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)cc1 ZINC000431121978 858455710 /nfs/dbraw/zinc/45/57/10/858455710.db2.gz SIZWJZLFXAEEKS-UHFFFAOYSA-N 0 1 420.513 4.454 20 0 HIADMN Cc1ccc([C@@H](CN2C(=O)N[C@@H](Cc3cccc4ccccc43)C2=O)N2CCCC2)o1 ZINC000431148519 858471437 /nfs/dbraw/zinc/47/14/37/858471437.db2.gz HNPGJKZBATVLLO-FCHUYYIVSA-N 0 1 417.509 4.041 20 0 HIADMN Cc1noc(C[C@@H](N[C@@H](C)C(=O)Nc2cccc3ccccc32)c2ccccc2)n1 ZINC000431179182 858489573 /nfs/dbraw/zinc/48/95/73/858489573.db2.gz MDLUXMHXLPJMFK-KSFYIVLOSA-N 0 1 400.482 4.432 20 0 HIADMN COc1cc(NS(=O)(=O)c2cccc(Cl)c2Br)cc(OC)c1C ZINC000431179589 858490361 /nfs/dbraw/zinc/49/03/61/858490361.db2.gz NIOYIDGGXXDKRO-UHFFFAOYSA-N 0 1 420.712 4.229 20 0 HIADMN COc1cccc([C@@H](CNC(=O)CO[C@H]2CCCc3ccccc32)N2CCCC2)c1 ZINC000431471125 858632337 /nfs/dbraw/zinc/63/23/37/858632337.db2.gz NHZHQCYILZCNSX-RPWUZVMVSA-N 0 1 408.542 4.043 20 0 HIADMN COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(NC(=O)CN3CCCCCC3)cc1)CC2 ZINC000431484227 858638760 /nfs/dbraw/zinc/63/87/60/858638760.db2.gz QZUBXRREEMITIG-QFIPXVFZSA-N 0 1 421.541 4.178 20 0 HIADMN O=C(c1cc(O)ccc1Cl)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000431633130 858702737 /nfs/dbraw/zinc/70/27/37/858702737.db2.gz ZWMZGHPPUAPYQG-UHFFFAOYSA-N 0 1 412.839 4.413 20 0 HIADMN COc1cccc([C@H](CNC(=O)C[C@H](C)c2ccc(Br)cc2)N(C)C)c1 ZINC000431770166 858804182 /nfs/dbraw/zinc/80/41/82/858804182.db2.gz RUTHWVLUSPYWCZ-YWZLYKJASA-N 0 1 419.363 4.370 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)NC(C)(C)c1ncc(C)s1)N1CCCCC1 ZINC000431787002 858811540 /nfs/dbraw/zinc/81/15/40/858811540.db2.gz UBVMCBWVBYJRHJ-GOSISDBHSA-N 0 1 416.591 4.222 20 0 HIADMN O=C(NC1CCN(Cc2ccncc2)CC1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000431800146 858817601 /nfs/dbraw/zinc/81/76/01/858817601.db2.gz KOWTVGVACPKONE-XMMPIXPASA-N 0 1 404.558 4.298 20 0 HIADMN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000467530887 881350299 /nfs/dbraw/zinc/35/02/99/881350299.db2.gz IYZAXBGADJMKRE-OKILXGFUSA-N 0 1 400.350 4.043 20 0 HIADMN CC[C@@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 ZINC000467533490 881353732 /nfs/dbraw/zinc/35/37/32/881353732.db2.gz QDZFSYAEPOHYGP-QZTJIDSGSA-N 0 1 418.419 4.232 20 0 HIADMN CC[C@@H](c1ccccc1)N1CC(=O)N(C[C@@H]2CSCCN2Cc2ccccc2)C1=O ZINC000431953907 858885379 /nfs/dbraw/zinc/88/53/79/858885379.db2.gz OIBVDKXEJBLQSA-YADHBBJMSA-N 0 1 423.582 4.020 20 0 HIADMN C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000432006907 858921110 /nfs/dbraw/zinc/92/11/10/858921110.db2.gz MVZXFCBLKWCWQC-DNVCBOLYSA-N 0 1 400.906 4.126 20 0 HIADMN COc1ccc([C@H](CNC(=O)N[C@H]2CC(C)(C)c3ccccc32)N(C)C)cc1OC ZINC000432148907 859016675 /nfs/dbraw/zinc/01/66/75/859016675.db2.gz QBQPPYJDXUOAFQ-PMACEKPBSA-N 0 1 411.546 4.028 20 0 HIADMN O=C1CSc2ccc(NS(=O)(=O)c3csc4ccc(Cl)cc43)cc2N1 ZINC000432174697 859030533 /nfs/dbraw/zinc/03/05/33/859030533.db2.gz GYQSHNAHVCPNOH-UHFFFAOYSA-N 0 1 410.929 4.400 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OCc2ccccc2)c1 ZINC000432186036 859036057 /nfs/dbraw/zinc/03/60/57/859036057.db2.gz NYJRDJCMXUJOIC-UHFFFAOYSA-N 0 1 420.490 4.216 20 0 HIADMN Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cn2)c1C ZINC000432192496 859039607 /nfs/dbraw/zinc/03/96/07/859039607.db2.gz NDMLSKRMVWYLEU-UHFFFAOYSA-N 0 1 421.478 4.133 20 0 HIADMN O=c1ccc2cc(S(=O)(=O)Nc3cc(F)ccc3Oc3ccccc3)ccc2[nH]1 ZINC000432192083 859039690 /nfs/dbraw/zinc/03/96/90/859039690.db2.gz MDDWGDYRICITLV-UHFFFAOYSA-N 0 1 410.426 4.260 20 0 HIADMN O=C(C[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000432292963 859089352 /nfs/dbraw/zinc/08/93/52/859089352.db2.gz BBJKCTXJACFFBS-UYAOXDASSA-N 0 1 414.546 4.363 20 0 HIADMN CN1CCN(Cc2ccc(C(=O)N3CCCC[C@H]3c3cc4ccccc4[nH]3)cc2)CC1 ZINC000467560174 881383873 /nfs/dbraw/zinc/38/38/73/881383873.db2.gz OSURLEWGZXUBEL-VWLOTQADSA-N 0 1 416.569 4.283 20 0 HIADMN CCCCCOc1ccc(S(=O)(=O)Nc2nc(C(=O)OC)c(C3CC3)s2)cc1 ZINC000432362590 859121467 /nfs/dbraw/zinc/12/14/67/859121467.db2.gz MXNASSUJJXFKCN-UHFFFAOYSA-N 0 1 424.544 4.177 20 0 HIADMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432368009 859125867 /nfs/dbraw/zinc/12/58/67/859125867.db2.gz KJNPEXZKTOLEMC-UHFFFAOYSA-N 0 1 417.756 4.273 20 0 HIADMN C[NH+](C)[C@H]1CCOc2c([N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cccc21 ZINC000432489150 859189654 /nfs/dbraw/zinc/18/96/54/859189654.db2.gz NPJAIOUMINMISE-KRWDZBQOSA-N 0 1 415.342 4.321 20 0 HIADMN CC(C)Oc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)ccc1C(N)=O ZINC000432496308 859194483 /nfs/dbraw/zinc/19/44/83/859194483.db2.gz KWEGGTGOYFTJDE-UHFFFAOYSA-N 0 1 410.495 4.041 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N(C)Cc2cccc(N(C)C)c2)N2CCCCC2)cc1 ZINC000432560223 859226938 /nfs/dbraw/zinc/22/69/38/859226938.db2.gz UICZHYQHLLCZEZ-XMMPIXPASA-N 0 1 424.589 4.130 20 0 HIADMN COc1ccc([C@H](CNC(=O)N(C)Cc2cccc(N(C)C)c2)N2CCCCC2)cc1 ZINC000432560221 859227103 /nfs/dbraw/zinc/22/71/03/859227103.db2.gz UICZHYQHLLCZEZ-DEOSSOPVSA-N 0 1 424.589 4.130 20 0 HIADMN Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)N(C)Cc2nnc[nH]2)cc1 ZINC000467586766 881399925 /nfs/dbraw/zinc/39/99/25/881399925.db2.gz FHRRYQGXVOPNPY-UHFFFAOYSA-N 0 1 403.511 4.105 20 0 HIADMN COc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)cc1Cl ZINC000432771713 859351483 /nfs/dbraw/zinc/35/14/83/859351483.db2.gz MNOFPKHBFSAFAT-UHFFFAOYSA-N 0 1 418.906 4.120 20 0 HIADMN COc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)c1 ZINC000432780455 859357298 /nfs/dbraw/zinc/35/72/98/859357298.db2.gz NRVKTAFKIDECQI-UHFFFAOYSA-N 0 1 407.822 4.068 20 0 HIADMN Cc1ccc(CS(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)cc1F ZINC000432960723 859449517 /nfs/dbraw/zinc/44/95/17/859449517.db2.gz PKRJXMYTZIVLHY-UHFFFAOYSA-N 0 1 405.426 4.143 20 0 HIADMN COc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1Cl ZINC000432959313 859449593 /nfs/dbraw/zinc/44/95/93/859449593.db2.gz HFHRFBKJNXXUCB-UHFFFAOYSA-N 0 1 401.822 4.272 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccco1 ZINC000432991726 859466798 /nfs/dbraw/zinc/46/67/98/859466798.db2.gz GTEJRQDMTXXTHT-OAQYLSRUSA-N 0 1 405.498 4.089 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1ccco1 ZINC000432991725 859467009 /nfs/dbraw/zinc/46/70/09/859467009.db2.gz GTEJRQDMTXXTHT-NRFANRHFSA-N 0 1 405.498 4.089 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000433004981 859473620 /nfs/dbraw/zinc/47/36/20/859473620.db2.gz JCHQSRQMOKHIPZ-KRWDZBQOSA-N 0 1 424.536 4.174 20 0 HIADMN CCc1ccc([C@H]2CCN([C@@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)C2)cc1 ZINC000433052822 859501708 /nfs/dbraw/zinc/50/17/08/859501708.db2.gz NURPRQWZSDOGRV-JXFKEZNVSA-N 0 1 409.530 4.033 20 0 HIADMN CCOC(=O)c1csc(C2CCN(Cc3cn(C)nc3C3CCCCC3)CC2)n1 ZINC000433053248 859503004 /nfs/dbraw/zinc/50/30/04/859503004.db2.gz PTLADIKCSYGFHO-UHFFFAOYSA-N 0 1 416.591 4.481 20 0 HIADMN O=C(CN1CCC(CO)(c2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000433057143 859504158 /nfs/dbraw/zinc/50/41/58/859504158.db2.gz GAVMDOWFVKRELX-UHFFFAOYSA-N 0 1 414.549 4.246 20 0 HIADMN COC(=O)c1ccc(-c2nc(CN3CCC(CO)(c4ccccc4)CC3)cs2)cc1 ZINC000433075478 859511955 /nfs/dbraw/zinc/51/19/55/859511955.db2.gz KSMIHYKGZVNOMA-UHFFFAOYSA-N 0 1 422.550 4.123 20 0 HIADMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(CO)(c2ccccc2)CC1 ZINC000433078955 859513029 /nfs/dbraw/zinc/51/30/29/859513029.db2.gz UMVYKBRCDJWMKY-LEWJYISDSA-N 0 1 416.565 4.432 20 0 HIADMN CCc1c(NC(=O)Cc2cccc(OCC(F)(F)F)c2)[nH]nc1-c1ccncc1 ZINC000433082396 859514768 /nfs/dbraw/zinc/51/47/68/859514768.db2.gz KAFKLPYOXQDWKC-UHFFFAOYSA-N 0 1 404.392 4.156 20 0 HIADMN CCOc1ccc(S(=O)(=O)Nc2ncc(C)c(-c3ccccc3)n2)cc1OCC ZINC000433122699 859529130 /nfs/dbraw/zinc/52/91/30/859529130.db2.gz RMAQONHJXWMTEW-UHFFFAOYSA-N 0 1 413.499 4.050 20 0 HIADMN CCC(C)(C)c1ccc(S(=O)(=O)Nc2nccc(-c3cncc(F)c3)n2)cc1 ZINC000433128647 859532384 /nfs/dbraw/zinc/53/23/84/859532384.db2.gz MBLCVEHZHHMRSX-UHFFFAOYSA-N 0 1 400.479 4.166 20 0 HIADMN COC(=O)c1ccc([C@@H](C)N2CCC(c3nc(-c4ccccc4OC)no3)CC2)o1 ZINC000433136488 859535331 /nfs/dbraw/zinc/53/53/31/859535331.db2.gz LYTGXYZGYUUHNB-CQSZACIVSA-N 0 1 411.458 4.065 20 0 HIADMN Cc1cnc(NS(=O)(=O)c2ccc(F)cc2Br)nc1-c1ccccc1 ZINC000433145166 859539050 /nfs/dbraw/zinc/53/90/50/859539050.db2.gz PHRHDQGMVMTNOP-UHFFFAOYSA-N 0 1 422.279 4.154 20 0 HIADMN Cc1cnc(C2CCN(C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)s1 ZINC000433149012 859541277 /nfs/dbraw/zinc/54/12/77/859541277.db2.gz HUUAVNIJJPMALW-HNNXBMFYSA-N 0 1 401.359 4.378 20 0 HIADMN Cc1nc2ccccc2n1CCCCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000433192395 859561383 /nfs/dbraw/zinc/56/13/83/859561383.db2.gz LAGPEZAKXDXBHD-UHFFFAOYSA-N 0 1 400.530 4.154 20 0 HIADMN CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1CCCN(c2ccccc2)C1 ZINC000433198771 859564943 /nfs/dbraw/zinc/56/49/43/859564943.db2.gz HVBKGNCASRBSMO-QGZVFWFLSA-N 0 1 406.979 4.140 20 0 HIADMN O=C(NCc1ccco1)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000433217239 859572689 /nfs/dbraw/zinc/57/26/89/859572689.db2.gz DJWNBJYRZFRFJF-NRFANRHFSA-N 0 1 410.518 4.337 20 0 HIADMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433293681 859622142 /nfs/dbraw/zinc/62/21/42/859622142.db2.gz GVOYRKYIRNCXKY-VGSWGCGISA-N 0 1 400.950 4.353 20 0 HIADMN Cc1oc2nc(CN3CC[C@H](Cc4ccc(Br)cc4)C3)nc(N)c2c1C ZINC000433299010 859624443 /nfs/dbraw/zinc/62/44/43/859624443.db2.gz BCIXBRAWQHZOQG-OAHLLOKOSA-N 0 1 415.335 4.249 20 0 HIADMN COc1ccc([C@H](NC(=O)CN[C@H](c2ccccc2)C2(CO)CCC2)C(C)C)cc1 ZINC000433322316 859640633 /nfs/dbraw/zinc/64/06/33/859640633.db2.gz ZVUPOGMNWZENKX-DNQXCXABSA-N 0 1 410.558 4.002 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CC(=O)N2C)c1ccccc1Cl ZINC000433433464 859699868 /nfs/dbraw/zinc/69/98/68/859699868.db2.gz LWEREAFPLNZIRT-FQEVSTJZSA-N 0 1 414.937 4.064 20 0 HIADMN Cc1cc(CCC(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1Br ZINC000433521596 859752464 /nfs/dbraw/zinc/75/24/64/859752464.db2.gz NLANKXHOGAMDBG-GOSISDBHSA-N 0 1 405.336 4.236 20 0 HIADMN CCOc1cccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)c1 ZINC000433528233 859758422 /nfs/dbraw/zinc/75/84/22/859758422.db2.gz BSCCMQVZUALPFU-UHFFFAOYSA-N 0 1 420.712 4.311 20 0 HIADMN COc1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)cc1F ZINC000433530019 859759306 /nfs/dbraw/zinc/75/93/06/859759306.db2.gz WTBKSCSNGMLVGP-UHFFFAOYSA-N 0 1 424.675 4.060 20 0 HIADMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000433615158 859810820 /nfs/dbraw/zinc/81/08/20/859810820.db2.gz GBXBBAFEUPZUBT-UHFFFAOYSA-N 0 1 424.975 4.433 20 0 HIADMN O=C(Nc1ccc2cc[nH]c2c1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000433626345 859815723 /nfs/dbraw/zinc/81/57/23/859815723.db2.gz XAQFCCUMNVLFHH-INIZCTEOSA-N 0 1 400.364 4.216 20 0 HIADMN COc1cc(NC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)ccc1Cl ZINC000433626764 859815846 /nfs/dbraw/zinc/81/58/46/859815846.db2.gz SVPGPIDBVJKNMB-GOSISDBHSA-N 0 1 403.910 4.316 20 0 HIADMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CCN1C ZINC000433667280 859830783 /nfs/dbraw/zinc/83/07/83/859830783.db2.gz OOFDWZVEXPRVQS-NEPJUHHUSA-N 0 1 410.305 4.132 20 0 HIADMN Cc1c(Br)ccc(NC(=O)NC[C@@H](c2cccs2)N(C)C)c1F ZINC000433737622 859866258 /nfs/dbraw/zinc/86/62/58/859866258.db2.gz YNDYEUSNYIDPLI-ZDUSSCGKSA-N 0 1 400.317 4.383 20 0 HIADMN Cc1cc(N2CC[C@H](N[C@@H](c3cccs3)c3ccc(C(C)C)cc3)C2=O)n(C)n1 ZINC000433740064 859868297 /nfs/dbraw/zinc/86/82/97/859868297.db2.gz OIXSWMBCXNOCHL-SIKLNZKXSA-N 0 1 408.571 4.398 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)n[nH]1 ZINC000433748947 859874003 /nfs/dbraw/zinc/87/40/03/859874003.db2.gz UAKXBWTYXUEECB-LLVKDONJSA-N 0 1 402.405 4.276 20 0 HIADMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2cc(Cl)ccc2Br)n1 ZINC000433828393 859917137 /nfs/dbraw/zinc/91/71/37/859917137.db2.gz KYNKFJUPJOJSON-UHFFFAOYSA-N 0 1 421.682 4.077 20 0 HIADMN Cc1ccc([C@H](CNC(=O)Nc2noc(-c3ccccc3F)c2C)N2CCCC2)o1 ZINC000433899109 859957692 /nfs/dbraw/zinc/95/76/92/859957692.db2.gz YBPBFSZYHXHPKK-SFHVURJKSA-N 0 1 412.465 4.649 20 0 HIADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000433915293 859966943 /nfs/dbraw/zinc/96/69/43/859966943.db2.gz OJNOFIJEEBGOPA-HSZRJFAPSA-N 0 1 423.532 4.267 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](CC(F)(F)F)C1)N1CCCCC1 ZINC000433919975 859970934 /nfs/dbraw/zinc/97/09/34/859970934.db2.gz OGNLRIIZMKYGES-SJLPKXTDSA-N 0 1 413.484 4.206 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000433982364 860015739 /nfs/dbraw/zinc/01/57/39/860015739.db2.gz WLNHIQSHFNORSC-RBBKRZOGSA-N 0 1 410.562 4.022 20 0 HIADMN CCc1c(NC(=O)Cc2cc(Br)ccc2F)[nH]nc1-c1ccncc1 ZINC000433990667 860022040 /nfs/dbraw/zinc/02/20/40/860022040.db2.gz QPVAJVZHVIVFST-UHFFFAOYSA-N 0 1 403.255 4.117 20 0 HIADMN O=C(Cc1cc(Br)ccc1F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000433995811 860026211 /nfs/dbraw/zinc/02/62/11/860026211.db2.gz AQGBHUCJXZVOTD-UHFFFAOYSA-N 0 1 423.301 4.051 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)N2CCCC2)o1 ZINC000434057667 860069269 /nfs/dbraw/zinc/06/92/69/860069269.db2.gz FARKUNVNQBEQNL-LJQANCHMSA-N 0 1 421.501 4.474 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(F)c3)[nH]n2)cc1OC ZINC000434191991 860180019 /nfs/dbraw/zinc/18/00/19/860180019.db2.gz SSVCLHOJJCLLMS-UHFFFAOYSA-N 0 1 407.348 4.087 20 0 HIADMN CN1CC[C@@H](CNC(=O)Nc2cccc3c2CCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000434229358 860214214 /nfs/dbraw/zinc/21/42/14/860214214.db2.gz RSXJBYHHPGLXQU-XOBRGWDASA-N 0 1 403.885 4.229 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCCCC[C@H]3c3ccncc3)n[nH]2)cc1OC ZINC000434230710 860215352 /nfs/dbraw/zinc/21/53/52/860215352.db2.gz HWUQFVRTWDZVCA-FQEVSTJZSA-N 0 1 406.486 4.246 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3C[C@H](c4ccc(F)cc4)C[C@H]3C)n[nH]2)cc1OC ZINC000434275972 860245553 /nfs/dbraw/zinc/24/55/53/860245553.db2.gz SFGOKLSNXUMEMR-RHSMWYFYSA-N 0 1 409.461 4.251 20 0 HIADMN Cc1ccc(-n2ncc(C(=O)N3CCC(c4cnc[nH]4)CC3)c2C2CC2)cc1Cl ZINC000434292137 860257689 /nfs/dbraw/zinc/25/76/89/860257689.db2.gz JSANJAIZSUHFPI-UHFFFAOYSA-N 0 1 409.921 4.454 20 0 HIADMN CN(C)[C@@H](CNC(=O)N(C)Cc1cc(F)cc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000434339513 860300171 /nfs/dbraw/zinc/30/01/71/860300171.db2.gz YKONGSXMYWVSDO-SFHVURJKSA-N 0 1 415.406 4.428 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3C[C@H](c4ccccc4C)OC[C@@H]3C)n[nH]2)cc1OC ZINC000434359299 860309681 /nfs/dbraw/zinc/30/96/81/860309681.db2.gz KTVSDLXGGQIOQD-QMHKHESXSA-N 0 1 421.497 4.005 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000434363323 860311987 /nfs/dbraw/zinc/31/19/87/860311987.db2.gz ITLQMRCPKJGDCM-UHFFFAOYSA-N 0 1 415.433 4.278 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)c2C)o1 ZINC000434440869 860353884 /nfs/dbraw/zinc/35/38/84/860353884.db2.gz LVPOQYVSFGSLCI-KGLIPLIRSA-N 0 1 405.376 4.927 20 0 HIADMN Cc1ccn(C2CCN(CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000434496226 860373480 /nfs/dbraw/zinc/37/34/80/860373480.db2.gz GRZRBTDSWWQPAJ-HXUWFJFHSA-N 0 1 421.372 4.499 20 0 HIADMN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC(c5cnc[nH]5)CC4)cc3)o2)cc1 ZINC000434504781 860378195 /nfs/dbraw/zinc/37/81/95/860378195.db2.gz MTOSIGBDVYDXIH-UHFFFAOYSA-N 0 1 413.481 4.455 20 0 HIADMN O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCC(c2cnc[nH]2)CC1 ZINC000434505800 860378525 /nfs/dbraw/zinc/37/85/25/860378525.db2.gz RRJWDCURSIRTIU-UHFFFAOYSA-N 0 1 417.538 4.370 20 0 HIADMN Cc1ccn(C2CCN([C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000434506740 860379570 /nfs/dbraw/zinc/37/95/70/860379570.db2.gz DSRALTMPOHPZAY-HXUWFJFHSA-N 0 1 402.542 4.123 20 0 HIADMN CCc1ccc(C(=O)Nc2sccc2C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000434508494 860380620 /nfs/dbraw/zinc/38/06/20/860380620.db2.gz CJDLTEAHMOFMEG-UHFFFAOYSA-N 0 1 408.527 4.306 20 0 HIADMN Cc1ccn(C2CCN(CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC2)n1 ZINC000434513261 860382806 /nfs/dbraw/zinc/38/28/06/860382806.db2.gz ZMUQOOPEKYWQIV-DEOSSOPVSA-N 0 1 420.582 4.064 20 0 HIADMN CC[C@H](C)c1ncc(NC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cn1 ZINC000434522577 860385210 /nfs/dbraw/zinc/38/52/10/860385210.db2.gz HQVIHDDXAYJCPV-NHYWBVRUSA-N 0 1 419.411 4.038 20 0 HIADMN CC[C@H](C)c1ncc(NC(=O)N[C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)cn1 ZINC000434529306 860387375 /nfs/dbraw/zinc/38/73/75/860387375.db2.gz JANCSKRUHQCDSK-JHVJFLLYSA-N 0 1 409.534 4.098 20 0 HIADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC4(CC4)c4ccccc43)c2C1 ZINC000434533202 860389248 /nfs/dbraw/zinc/38/92/48/860389248.db2.gz QOVWRIHXASSLNI-KRWDZBQOSA-N 0 1 403.526 4.064 20 0 HIADMN CN1CCN(Cc2cccc(C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)c2)CC1 ZINC000434566937 860405173 /nfs/dbraw/zinc/40/51/73/860405173.db2.gz VTTLEJSAOMEULM-UHFFFAOYSA-N 0 1 409.961 4.017 20 0 HIADMN COc1ccc(CCn2c(C)cc(C(=O)CN(C[C@H]3CCOC3)C3CC3)c2C)cc1 ZINC000434575600 860410321 /nfs/dbraw/zinc/41/03/21/860410321.db2.gz RFIRAHSDDQZUNR-OAQYLSRUSA-N 0 1 410.558 4.040 20 0 HIADMN Cc1cc(C)cc(CN(C)C(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000434595324 860418226 /nfs/dbraw/zinc/41/82/26/860418226.db2.gz KABMMEFLBNICKY-LJQANCHMSA-N 0 1 407.558 4.261 20 0 HIADMN CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC4(CCC4)c4ccccc43)c2C1 ZINC000434616358 860431213 /nfs/dbraw/zinc/43/12/13/860431213.db2.gz HRWXUBKTCNZDLF-SFHVURJKSA-N 0 1 417.553 4.454 20 0 HIADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000434632360 860440231 /nfs/dbraw/zinc/44/02/31/860440231.db2.gz WJPUVCSINWJPQL-UHFFFAOYSA-N 0 1 416.421 4.090 20 0 HIADMN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000434632385 860440552 /nfs/dbraw/zinc/44/05/52/860440552.db2.gz WPYPQTNVSSMBQW-SJLPKXTDSA-N 0 1 406.530 4.294 20 0 HIADMN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000434632445 860441234 /nfs/dbraw/zinc/44/12/34/860441234.db2.gz XFAXKAACOVGLJX-UHFFFAOYSA-N 0 1 424.522 4.043 20 0 HIADMN C[C@H](C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)N(C)CCCCCO ZINC000434678773 860455883 /nfs/dbraw/zinc/45/58/83/860455883.db2.gz KKZFHIIFKHUPFP-UZLBHIALSA-N 0 1 417.937 4.094 20 0 HIADMN CCn1nccc1C1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000434758948 860484591 /nfs/dbraw/zinc/48/45/91/860484591.db2.gz RPFQHXNUFNFXBO-UHFFFAOYSA-N 0 1 400.542 4.049 20 0 HIADMN CCC(C)(C)c1ccc(CNC(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000434814685 860505796 /nfs/dbraw/zinc/50/57/96/860505796.db2.gz MKUZHNSXFSTRNZ-OAQYLSRUSA-N 0 1 423.557 4.014 20 0 HIADMN CC(C)C(=O)Nc1ccc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1 ZINC000467744872 881547009 /nfs/dbraw/zinc/54/70/09/881547009.db2.gz VRPPQLNOYBXCCG-YADHBBJMSA-N 0 1 415.965 4.096 20 0 HIADMN CC(C)C(=O)Nc1ccc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1 ZINC000467744869 881547703 /nfs/dbraw/zinc/54/77/03/881547703.db2.gz VRPPQLNOYBXCCG-FCHUYYIVSA-N 0 1 415.965 4.096 20 0 HIADMN Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434885919 860535403 /nfs/dbraw/zinc/53/54/03/860535403.db2.gz JZCGTUHZPKFQDE-HZPDHXFCSA-N 0 1 414.493 4.398 20 0 HIADMN Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c(C)c1 ZINC000434885604 860535868 /nfs/dbraw/zinc/53/58/68/860535868.db2.gz ISMMGNHLBRXEPA-CVEARBPZSA-N 0 1 414.493 4.398 20 0 HIADMN CCCCC1CCC(CNC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)CC1 ZINC000434955055 860573082 /nfs/dbraw/zinc/57/30/82/860573082.db2.gz LEYYCHBTFGTERH-NGICGMGXSA-N 0 1 415.578 4.123 20 0 HIADMN COc1cc(CN2CCN(C)C[C@@H]2c2ccccc2)ccc1OCc1ccncc1 ZINC000434991031 860588354 /nfs/dbraw/zinc/58/83/54/860588354.db2.gz KEJPROGXGNGYFB-HSZRJFAPSA-N 0 1 403.526 4.158 20 0 HIADMN Cc1nc(COc2ccc(CN3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)no1 ZINC000435055451 860618052 /nfs/dbraw/zinc/61/80/52/860618052.db2.gz IKCJAGUSGIPBRM-UHFFFAOYSA-N 0 1 409.461 4.191 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H]3CCC[C@@H](C(C)(C)C)CC3)cccc21 ZINC000435103737 860643453 /nfs/dbraw/zinc/64/34/53/860643453.db2.gz NVMUEGNJRACNRO-MBOZVWFJSA-N 0 1 415.578 4.122 20 0 HIADMN O=S(=O)(Nc1ccccc1N1CCCCC1)c1cc(F)ccc1Br ZINC000435132936 860656559 /nfs/dbraw/zinc/65/65/59/860656559.db2.gz NEMDUKHNJZXHLD-UHFFFAOYSA-N 0 1 413.312 4.379 20 0 HIADMN Cc1cc(CN(Cc2ccc(-c3cc[nH]n3)o2)CC(C)C)nc(N2CCCCC2)n1 ZINC000435132753 860656764 /nfs/dbraw/zinc/65/67/64/860656764.db2.gz LLYFSJYALDUIOO-UHFFFAOYSA-N 0 1 408.550 4.417 20 0 HIADMN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000435134919 860657279 /nfs/dbraw/zinc/65/72/79/860657279.db2.gz ZPRWIANFHZBTSO-SSEXGKCCSA-N 0 1 422.554 4.270 20 0 HIADMN Cc1cc(Br)ccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435138578 860660245 /nfs/dbraw/zinc/66/02/45/860660245.db2.gz KUBHWTVNBOJTSS-UHFFFAOYSA-N 0 1 423.101 4.460 20 0 HIADMN CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccnc1 ZINC000435464706 860807809 /nfs/dbraw/zinc/80/78/09/860807809.db2.gz RXMVIASQWPCGAC-PMACEKPBSA-N 0 1 405.464 4.231 20 0 HIADMN CC(C)[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccnc1 ZINC000435464708 860807873 /nfs/dbraw/zinc/80/78/73/860807873.db2.gz RXMVIASQWPCGAC-VQTJNVASSA-N 0 1 405.464 4.231 20 0 HIADMN O=C1NC2(CCCC2)C(=O)N1CCN[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000467765408 881583498 /nfs/dbraw/zinc/58/34/98/881583498.db2.gz AOFGGTZPETVQRW-LJQANCHMSA-N 0 1 415.896 4.023 20 0 HIADMN CC[C@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000435571697 860891044 /nfs/dbraw/zinc/89/10/44/860891044.db2.gz XXNXZPMGPSCHMO-MRXNPFEDSA-N 0 1 410.440 4.175 20 0 HIADMN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000435577420 860892992 /nfs/dbraw/zinc/89/29/92/860892992.db2.gz ULGGTFRISZYROS-UHFFFAOYSA-N 0 1 406.452 4.439 20 0 HIADMN CCOc1ccc([C@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)C(C)C)cc1OCC ZINC000435585994 860897784 /nfs/dbraw/zinc/89/77/84/860897784.db2.gz XARMZICHQMKICU-JOCHJYFZSA-N 0 1 414.550 4.493 20 0 HIADMN O=C([C@H]1CCCc2cccnc21)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000435655516 860937644 /nfs/dbraw/zinc/93/76/44/860937644.db2.gz NOSDSRFMCZOTFA-FQEVSTJZSA-N 0 1 417.475 4.255 20 0 HIADMN Cc1nn(CC(=O)Nc2cc(CN3CCSCC3)ccc2C)cc1-c1ccccc1 ZINC000435693000 860973871 /nfs/dbraw/zinc/97/38/71/860973871.db2.gz HYCZXVOUPKKNEM-UHFFFAOYSA-N 0 1 420.582 4.354 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000435744607 861025847 /nfs/dbraw/zinc/02/58/47/861025847.db2.gz XZJVWTQLRZJLGC-OXQOHEQNSA-N 0 1 416.928 4.217 20 0 HIADMN O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000435746338 861027170 /nfs/dbraw/zinc/02/71/70/861027170.db2.gz WGVLMODSRAXHDX-NSHDSACASA-N 0 1 407.417 4.023 20 0 HIADMN CN(c1ccccc1)c1ccc(CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 ZINC000435776761 861051685 /nfs/dbraw/zinc/05/16/85/861051685.db2.gz ANEYMOZSDUXFTA-QHCPKHFHSA-N 0 1 416.525 4.257 20 0 HIADMN CCOC(=O)[C@@H]1CC[C@H](N[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)C1 ZINC000435785535 861060289 /nfs/dbraw/zinc/06/02/89/861060289.db2.gz CKKYVZAZPGAMDR-DXIQSLLYSA-N 0 1 410.514 4.005 20 0 HIADMN C[C@@H]1[C@H](C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000435817884 861084454 /nfs/dbraw/zinc/08/44/54/861084454.db2.gz KJSXBEGWUKBZTC-PSMGESJCSA-N 0 1 400.404 4.079 20 0 HIADMN Cc1nn(CC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1-c1ccccc1 ZINC000435878704 861137532 /nfs/dbraw/zinc/13/75/32/861137532.db2.gz FHGKWWUHADSFIV-UHFFFAOYSA-N 0 1 408.465 4.436 20 0 HIADMN O=S(=O)(Nc1ncccc1Br)c1c(Cl)cc(F)cc1Cl ZINC000435894979 861151431 /nfs/dbraw/zinc/15/14/31/861151431.db2.gz WMBPVQNVOXCZOC-UHFFFAOYSA-N 0 1 400.056 4.091 20 0 HIADMN CSc1cccc([C@H](NC(=O)NCc2cn[nH]c2C)c2ccc(F)c(F)c2)c1 ZINC000467795220 881619704 /nfs/dbraw/zinc/61/97/04/881619704.db2.gz LSPYOSRYRUJVSV-IBGZPJMESA-N 0 1 402.470 4.307 20 0 HIADMN O=C(NCCN1CCc2ccccc2C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000435924351 861183217 /nfs/dbraw/zinc/18/32/17/861183217.db2.gz VVARKIIEWJNMOE-UHFFFAOYSA-N 0 1 406.423 4.051 20 0 HIADMN CCOc1cccc2[nH]cc(CC(=O)Nc3cccc(CN4CCSCC4)c3)c21 ZINC000437796949 863116031 /nfs/dbraw/zinc/11/60/31/863116031.db2.gz HSJYXRNKKAUHLF-UHFFFAOYSA-N 0 1 409.555 4.297 20 0 HIADMN COC(=O)c1ccc(COc2ccccc2CNCc2ccnc(SC)c2)cc1 ZINC000437799228 863119603 /nfs/dbraw/zinc/11/96/03/863119603.db2.gz VZVFAEMHKFJUQH-UHFFFAOYSA-N 0 1 408.523 4.459 20 0 HIADMN CCc1c(NC(=O)[C@@H](O)C2CCCCC2)[nH]nc1-c1ccc(Br)cc1 ZINC000437831163 863181894 /nfs/dbraw/zinc/18/18/94/863181894.db2.gz AFPUFFIENGHOFA-KRWDZBQOSA-N 0 1 406.324 4.281 20 0 HIADMN O=C(c1cc(COc2c(Cl)cccc2Cl)on1)N1CCN(C2CCCC2)CC1 ZINC000467810203 881636710 /nfs/dbraw/zinc/63/67/10/881636710.db2.gz SRERKJXEJARAHH-UHFFFAOYSA-N 0 1 424.328 4.261 20 0 HIADMN COCC[C@@H]1CCCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000467810996 881637672 /nfs/dbraw/zinc/63/76/72/881637672.db2.gz YIMDYRFHMXIHIU-RXVVDRJESA-N 0 1 407.986 4.325 20 0 HIADMN CC(C)(C)Oc1cccc(CCC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000467822932 881653976 /nfs/dbraw/zinc/65/39/76/881653976.db2.gz CTJALSRGFMQBJY-UHFFFAOYSA-N 0 1 413.537 4.111 20 0 HIADMN Cc1ccc2cc(CNCc3ccccc3S(=O)(=O)N3CCCCC3)ccc2n1 ZINC000438081297 863473991 /nfs/dbraw/zinc/47/39/91/863473991.db2.gz YTHVFKQPZWQAJW-UHFFFAOYSA-N 0 1 409.555 4.008 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000438186971 863612342 /nfs/dbraw/zinc/61/23/42/863612342.db2.gz GLRJOZBOSAZOTR-FGTMMUONSA-N 0 1 419.472 4.263 20 0 HIADMN COC(=O)c1ccc(COc2ccccc2CNCc2ccc3c(c2)COC3)cc1 ZINC000438198650 863626744 /nfs/dbraw/zinc/62/67/44/863626744.db2.gz KCVOYAPULFRIMZ-UHFFFAOYSA-N 0 1 403.478 4.372 20 0 HIADMN CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1OC(F)F ZINC000467842240 881682490 /nfs/dbraw/zinc/68/24/90/881682490.db2.gz XNSGJCHWDSDLMO-KSSFIOAISA-N 0 1 412.502 4.340 20 0 HIADMN CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1OC(F)F ZINC000467842238 881683717 /nfs/dbraw/zinc/68/37/17/881683717.db2.gz XNSGJCHWDSDLMO-KDOFPFPSSA-N 0 1 412.502 4.340 20 0 HIADMN CCc1ncsc1NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000438246106 863707854 /nfs/dbraw/zinc/70/78/54/863707854.db2.gz KLLMGMMWKNGUKI-UHFFFAOYSA-N 0 1 415.540 4.375 20 0 HIADMN CC(C)Sc1c(Cl)cccc1NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000438250905 863714594 /nfs/dbraw/zinc/71/45/94/863714594.db2.gz UOWSYXNXRSMZRM-SFHVURJKSA-N 0 1 413.031 4.234 20 0 HIADMN CCCOc1ccc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000467844813 881688766 /nfs/dbraw/zinc/68/87/66/881688766.db2.gz VNWFQFAPFILNJD-IAGOWNOFSA-N 0 1 420.575 4.146 20 0 HIADMN CC(C)N1CCN(C(=O)Nc2ccnc(Oc3ccccc3Br)c2)CC1 ZINC000438395320 863845425 /nfs/dbraw/zinc/84/54/25/863845425.db2.gz JIRXENSAENLVJE-UHFFFAOYSA-N 0 1 419.323 4.194 20 0 HIADMN O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1CCSc2ccccc21 ZINC000438438811 863866291 /nfs/dbraw/zinc/86/62/91/863866291.db2.gz YFZAXWDRTXELAF-RDJZCZTQSA-N 0 1 418.444 4.309 20 0 HIADMN C[C@@H](C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000438440826 863867322 /nfs/dbraw/zinc/86/73/22/863867322.db2.gz WFQZEZQMODUYOH-BDJLRTHQSA-N 0 1 408.811 4.486 20 0 HIADMN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438451164 863876370 /nfs/dbraw/zinc/87/63/70/863876370.db2.gz HKISMTHMGAJJMN-SKDZVZGDSA-N 0 1 410.440 4.015 20 0 HIADMN Cc1cc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000438453002 863877490 /nfs/dbraw/zinc/87/74/90/863877490.db2.gz YBNIPNCKTVDWNW-GOSISDBHSA-N 0 1 411.387 4.200 20 0 HIADMN CC(C)COc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438459178 863881965 /nfs/dbraw/zinc/88/19/65/863881965.db2.gz UTRAXWSLKSVKSL-GOSISDBHSA-N 0 1 418.419 4.378 20 0 HIADMN COc1cc(CN(C)[C@H]2CCOc3ccc(Br)cc32)cc(OC)c1OC ZINC000438474941 863892890 /nfs/dbraw/zinc/89/28/90/863892890.db2.gz XANKLKAJAUWXDD-INIZCTEOSA-N 0 1 422.319 4.431 20 0 HIADMN CCOc1ccc(Oc2c(CN3CC[C@@H](CO)C3)c(C)nn2-c2ccccc2)cc1 ZINC000438484526 863900992 /nfs/dbraw/zinc/90/09/92/863900992.db2.gz RCSSNLCQIBSHSJ-LJQANCHMSA-N 0 1 407.514 4.186 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1nc2ccsc2s1 ZINC000438500418 863920525 /nfs/dbraw/zinc/92/05/25/863920525.db2.gz ZCXWTXYOXFJPNQ-UHFFFAOYSA-N 0 1 417.560 4.152 20 0 HIADMN CCc1cnc(NC(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000438520475 863946676 /nfs/dbraw/zinc/94/66/76/863946676.db2.gz WHXRNAJYVAMFJI-UHFFFAOYSA-N 0 1 412.481 4.464 20 0 HIADMN C[C@@H]1CCN(c2cc(C(=O)N[C@@H](c3ccccc3)c3ccc4nc[nH]c4c3)ccn2)C1 ZINC000438539011 863965284 /nfs/dbraw/zinc/96/52/84/863965284.db2.gz GYRLBSHJFZRCJT-OSPHWJPCSA-N 0 1 411.509 4.324 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000438543946 863972836 /nfs/dbraw/zinc/97/28/36/863972836.db2.gz CNGZUANWGZKDHR-AWEZNQCLSA-N 0 1 424.900 4.224 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@H](C)C(=O)Nc2ccc(C)cc2C)c1 ZINC000438553394 863983988 /nfs/dbraw/zinc/98/39/88/863983988.db2.gz QWHSWGGCBIVHQS-GOSISDBHSA-N 0 1 400.519 4.049 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccccc1CC(F)(F)F ZINC000438621945 864047997 /nfs/dbraw/zinc/04/79/97/864047997.db2.gz KIEJDZKJSPCEOO-UHFFFAOYSA-N 0 1 406.452 4.496 20 0 HIADMN COc1ccc([C@H](C)NCc2cccc(NC(=O)NCc3ccncc3)c2)cc1OC ZINC000467868087 881725633 /nfs/dbraw/zinc/72/56/33/881725633.db2.gz RJSQALNTIQKKFU-KRWDZBQOSA-N 0 1 420.513 4.271 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1c(F)cc(Br)cc1F)c1cccs1 ZINC000438651404 864092551 /nfs/dbraw/zinc/09/25/51/864092551.db2.gz JGJPAJAVLWWBDK-GFCCVEGCSA-N 0 1 404.280 4.213 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000438654302 864096131 /nfs/dbraw/zinc/09/61/31/864096131.db2.gz HLSLIDKSKSJLBS-FPOVZHCZSA-N 0 1 422.573 4.247 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)c1ccc(C)cc1 ZINC000438661911 864111031 /nfs/dbraw/zinc/11/10/31/864111031.db2.gz QFACTUMBLICYMY-LJQANCHMSA-N 0 1 410.562 4.370 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)c1ccc(C)cc1 ZINC000438661910 864111362 /nfs/dbraw/zinc/11/13/62/864111362.db2.gz QFACTUMBLICYMY-IBGZPJMESA-N 0 1 410.562 4.370 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1cccc(C)c1C ZINC000438665434 864118596 /nfs/dbraw/zinc/11/85/96/864118596.db2.gz PZKXPOFXCYSEJJ-IBGZPJMESA-N 0 1 410.562 4.337 20 0 HIADMN CCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000438668352 864124248 /nfs/dbraw/zinc/12/42/48/864124248.db2.gz XSXUOMUIQNYHBS-UHFFFAOYSA-N 0 1 410.562 4.281 20 0 HIADMN Cc1ccnc(Oc2cc(NC(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)ccc2C)c1 ZINC000438680946 864143876 /nfs/dbraw/zinc/14/38/76/864143876.db2.gz MIWCKOVQVYEICP-OALUTQOASA-N 0 1 412.534 4.112 20 0 HIADMN CC(C)C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1ccccc1 ZINC000438691304 864158349 /nfs/dbraw/zinc/15/83/49/864158349.db2.gz MDGAVYFVRNEUSR-FQEVSTJZSA-N 0 1 424.526 4.046 20 0 HIADMN O=S(=O)(Nc1ccc(Oc2ccc(Cl)cn2)cc1)c1cccc2c1OCCO2 ZINC000438769448 864264315 /nfs/dbraw/zinc/26/43/15/864264315.db2.gz FJSVGFOWMNJIGS-UHFFFAOYSA-N 0 1 418.858 4.099 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3ccccc3OC)c2)cs1 ZINC000438770511 864265600 /nfs/dbraw/zinc/26/56/00/864265600.db2.gz KELPRXKONPQWTH-UHFFFAOYSA-N 0 1 403.481 4.011 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(CSCc3ccccc3)c2)c[nH]1 ZINC000438776869 864270715 /nfs/dbraw/zinc/27/07/15/864270715.db2.gz JJDAXFJNAWRWMP-UHFFFAOYSA-N 0 1 416.524 4.036 20 0 HIADMN CC(=O)c1cccc(OC[C@H](O)CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000438788757 864281168 /nfs/dbraw/zinc/28/11/68/864281168.db2.gz HCGKOWVYHSIYEE-HXUWFJFHSA-N 0 1 408.473 4.039 20 0 HIADMN CCCOc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1Cl ZINC000438805569 864295912 /nfs/dbraw/zinc/29/59/12/864295912.db2.gz NCPVYVXCPXZFKU-UHFFFAOYSA-N 0 1 417.270 4.018 20 0 HIADMN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)NCCN2CCCCC2)cc1 ZINC000438817152 864310883 /nfs/dbraw/zinc/31/08/83/864310883.db2.gz FSYWBAVTAQGLOS-GOSISDBHSA-N 0 1 411.571 4.081 20 0 HIADMN CC[C@H](c1ccc(F)cc1F)N1CCN(CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000438822615 864316495 /nfs/dbraw/zinc/31/64/95/864316495.db2.gz WFYNKMVDOFJWFH-JOCHJYFZSA-N 0 1 417.500 4.071 20 0 HIADMN C[C@H]1CCCN1C(=O)CCN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000438825283 864319545 /nfs/dbraw/zinc/31/95/45/864319545.db2.gz BNYWCBJCCCDDCK-SFHVURJKSA-N 0 1 415.578 4.073 20 0 HIADMN COc1ccc(NC(=O)[C@H](N[C@@H]2C[C@H]3OCCC[C@H]23)c2ccccc2)cc1Cl ZINC000438834992 864328760 /nfs/dbraw/zinc/32/87/60/864328760.db2.gz BNBQYRJWYZYBFU-KRZXBLKESA-N 0 1 400.906 4.186 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000438841230 864334441 /nfs/dbraw/zinc/33/44/41/864334441.db2.gz KSMSGXHAMAZQTM-FOVJLYNBSA-N 0 1 422.573 4.044 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000438841633 864335695 /nfs/dbraw/zinc/33/56/95/864335695.db2.gz LYUVUXXIERNKNH-LSDHHAIUSA-N 0 1 404.917 4.460 20 0 HIADMN CC(C)c1ccccc1OCCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000438844416 864338506 /nfs/dbraw/zinc/33/85/06/864338506.db2.gz YICHLYDREFRSJV-LJQANCHMSA-N 0 1 410.562 4.109 20 0 HIADMN C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)Oc1ccccc1Cl ZINC000438844404 864338995 /nfs/dbraw/zinc/33/89/95/864338995.db2.gz YGTPDTKUCRFWRK-IAGOWNOFSA-N 0 1 416.953 4.027 20 0 HIADMN CCOCc1ccc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000438861766 864354594 /nfs/dbraw/zinc/35/45/94/864354594.db2.gz UIBOILLJUVGOAO-UHFFFAOYSA-N 0 1 405.502 4.420 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000438866476 864359426 /nfs/dbraw/zinc/35/94/26/864359426.db2.gz JFLYRIMRHZTITR-QRWLVFNGSA-N 0 1 414.937 4.083 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000438866668 864359691 /nfs/dbraw/zinc/35/96/91/864359691.db2.gz VTYNQXSOEMAIGY-UCFCWBNQSA-N 0 1 406.574 4.318 20 0 HIADMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000438877518 864367022 /nfs/dbraw/zinc/36/70/22/864367022.db2.gz AOXXUXIWGOOLPE-SFHVURJKSA-N 0 1 401.495 4.053 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000438887048 864371048 /nfs/dbraw/zinc/37/10/48/864371048.db2.gz OZEWXWPQKIOCIW-LSDHHAIUSA-N 0 1 414.310 4.235 20 0 HIADMN Cc1ccc(Cl)c(S(=O)(=O)NCc2noc(-c3ccccc3C)n2)c1Cl ZINC000438895360 864378013 /nfs/dbraw/zinc/37/80/13/864378013.db2.gz JNJRSVHFASRGGM-UHFFFAOYSA-N 0 1 412.298 4.139 20 0 HIADMN Cc1[nH]c(SCC(=O)N2CCS[C@@H]3CCCC[C@H]32)nc1Cc1ccccc1 ZINC000438953101 864425674 /nfs/dbraw/zinc/42/56/74/864425674.db2.gz YOUOHVIMQZHJRA-RTBURBONSA-N 0 1 401.601 4.288 20 0 HIADMN Cc1ccc(CSCCNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000438973767 864438765 /nfs/dbraw/zinc/43/87/65/864438765.db2.gz YWUNXTLGSSIZLE-LJQANCHMSA-N 0 1 412.603 4.148 20 0 HIADMN O=S(=O)(Nc1ccc2c(c1)CN(CC(F)F)C2)c1ccccc1C(F)(F)F ZINC000438981124 864445306 /nfs/dbraw/zinc/44/53/06/864445306.db2.gz BGZRBVMAQMOEFT-UHFFFAOYSA-N 0 1 406.376 4.087 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN([C@@H](C)c4ncc(Br)cn4)C3)[nH]c2c1 ZINC000438988555 864448857 /nfs/dbraw/zinc/44/88/57/864448857.db2.gz XGIDABXSDAJGHW-KBPBESRZSA-N 0 1 400.324 4.364 20 0 HIADMN C[C@H](c1ncc(Br)cn1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000439000080 864455384 /nfs/dbraw/zinc/45/53/84/864455384.db2.gz NDFJSXFFJMCFET-MRXNPFEDSA-N 0 1 411.347 4.271 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000439009159 864462332 /nfs/dbraw/zinc/46/23/32/864462332.db2.gz XUXLYNSDVTZPNA-KUHUBIRLSA-N 0 1 415.921 4.153 20 0 HIADMN CC(C)c1c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cnn1-c1cccc(Cl)c1 ZINC000439012908 864465013 /nfs/dbraw/zinc/46/50/13/864465013.db2.gz VODVZLLSGMKPJH-UHFFFAOYSA-N 0 1 407.865 4.082 20 0 HIADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000439070621 864524005 /nfs/dbraw/zinc/52/40/05/864524005.db2.gz WIXAEQLMGYNPMO-RBUKOAKNSA-N 0 1 412.449 4.138 20 0 HIADMN CCn1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(C(F)(F)F)n1 ZINC000439078920 864528466 /nfs/dbraw/zinc/52/84/66/864528466.db2.gz NLVWSVNDYYMKNG-CQSZACIVSA-N 0 1 411.815 4.429 20 0 HIADMN COCCn1cc2c(n1)[C@H](N[C@@H](c1ccc(Br)s1)C1CC1)CCC2 ZINC000439136164 864568227 /nfs/dbraw/zinc/56/82/27/864568227.db2.gz RQAHFHCFPIDZDK-RDTXWAMCSA-N 0 1 410.381 4.472 20 0 HIADMN COCCCCN(Cc1ccccc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439192897 864619001 /nfs/dbraw/zinc/61/90/01/864619001.db2.gz PTOCLSXEKRWCJS-OAQYLSRUSA-N 0 1 424.589 4.245 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]2CCc2ccccc2)CC1 ZINC000439193878 864621136 /nfs/dbraw/zinc/62/11/36/864621136.db2.gz YNWBNHPBTIMCEZ-RDPSFJRHSA-N 0 1 406.574 4.414 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000439202376 864626176 /nfs/dbraw/zinc/62/61/76/864626176.db2.gz FNXMXZUVJRPHOI-XXBNENTESA-N 0 1 406.574 4.442 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000439253065 864669940 /nfs/dbraw/zinc/66/99/40/864669940.db2.gz AVUCUNNFJPIHCA-IXDOHACOSA-N 0 1 401.473 4.475 20 0 HIADMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc(C)cc1Br)Cc1ccccc1 ZINC000439254476 864672313 /nfs/dbraw/zinc/67/23/13/864672313.db2.gz DYAIQXLWQNFBDI-OAQYLSRUSA-N 0 1 419.363 4.359 20 0 HIADMN Brc1cccc(-c2cnc(CN[C@@H](c3nnc[nH]3)c3ccccc3)o2)c1 ZINC000439274397 864693742 /nfs/dbraw/zinc/69/37/42/864693742.db2.gz OVZKQHBGKUMSLN-GOSISDBHSA-N 0 1 410.275 4.101 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000439292697 864714267 /nfs/dbraw/zinc/71/42/67/864714267.db2.gz FSWDYAOVIJTWAT-OAHLLOKOSA-N 0 1 405.502 4.447 20 0 HIADMN CN(C(=O)CN1CCC([C@@H]2CCCO2)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000439295427 864720250 /nfs/dbraw/zinc/72/02/50/864720250.db2.gz NFKXKKWPPMXPCY-ZCYQVOJMSA-N 0 1 410.533 4.265 20 0 HIADMN Cc1cc(Br)ccc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439296915 864721730 /nfs/dbraw/zinc/72/17/30/864721730.db2.gz NSOULSCOGYSFJJ-HNNXBMFYSA-N 0 1 417.351 4.500 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000439304722 864733510 /nfs/dbraw/zinc/73/35/10/864733510.db2.gz NTXKZMIKDKSCSQ-QGZVFWFLSA-N 0 1 422.529 4.470 20 0 HIADMN COc1ccc(OC(F)F)c(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000439307486 864734462 /nfs/dbraw/zinc/73/44/62/864734462.db2.gz WVDAJVFGBRXLBY-AWEZNQCLSA-N 0 1 420.460 4.039 20 0 HIADMN Cc1cc(C)n(-c2ccccc2NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)n1 ZINC000439311322 864742459 /nfs/dbraw/zinc/74/24/59/864742459.db2.gz DFMXQQWZKIOZSP-IBGZPJMESA-N 0 1 418.545 4.231 20 0 HIADMN Cc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c(Br)c1 ZINC000439313194 864747249 /nfs/dbraw/zinc/74/72/49/864747249.db2.gz GSXHVRJSTDGLMW-HNNXBMFYSA-N 0 1 417.351 4.500 20 0 HIADMN C[C@H]1C[C@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000439316161 864748730 /nfs/dbraw/zinc/74/87/30/864748730.db2.gz JRGIDGHDOZPCGI-FUHWJXTLSA-N 0 1 409.921 4.127 20 0 HIADMN C[C@@H]1C[C@H](c2ccccc2)CCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000439316162 864749350 /nfs/dbraw/zinc/74/93/50/864749350.db2.gz JRGIDGHDOZPCGI-SJLPKXTDSA-N 0 1 409.921 4.127 20 0 HIADMN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439329276 864766546 /nfs/dbraw/zinc/76/65/46/864766546.db2.gz XNQSGGHYGHXYBY-KRWDZBQOSA-N 0 1 421.545 4.086 20 0 HIADMN CCOCCN1CCN(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)C[C@@H]1CC ZINC000439332561 864770622 /nfs/dbraw/zinc/77/06/22/864770622.db2.gz RDQWEXLRTQOLCW-FQEVSTJZSA-N 0 1 414.550 4.430 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cc(Br)ccc2F)CC1 ZINC000439390423 864815384 /nfs/dbraw/zinc/81/53/84/864815384.db2.gz YZFNICMJHRLKER-ZDUSSCGKSA-N 0 1 421.314 4.330 20 0 HIADMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CCC[C@H](O)C1 ZINC000439412362 864823432 /nfs/dbraw/zinc/82/34/32/864823432.db2.gz TXJGOWXZBCDSNK-JTDSTZFVSA-N 0 1 417.431 4.338 20 0 HIADMN Cc1ccc(NC(=O)[C@H](C)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1C ZINC000439446845 864834426 /nfs/dbraw/zinc/83/44/26/864834426.db2.gz YBSFYGUDCAYCHM-KSSFIOAISA-N 0 1 417.435 4.147 20 0 HIADMN Fc1cc2cccnc2c(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000439448449 864834854 /nfs/dbraw/zinc/83/48/54/864834854.db2.gz GYVRQWGTYPZYJS-SFHVURJKSA-N 0 1 401.367 4.390 20 0 HIADMN Brc1ccccc1-c1cnc(CN[C@@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000439452635 864836768 /nfs/dbraw/zinc/83/67/68/864836768.db2.gz NBEDSNIPONGEGW-GOSISDBHSA-N 0 1 410.275 4.101 20 0 HIADMN Cc1cccc(NC(=O)[C@@H](C)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1C ZINC000439454122 864837207 /nfs/dbraw/zinc/83/72/07/864837207.db2.gz QNTNAEICLJCJHQ-KDOFPFPSSA-N 0 1 417.435 4.147 20 0 HIADMN CSc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000439474660 864844772 /nfs/dbraw/zinc/84/47/72/864844772.db2.gz XWJPBUXSMKEWLQ-CQSZACIVSA-N 0 1 407.377 4.480 20 0 HIADMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CN[C@H](C)c2ccc(SC)cc2)c1 ZINC000439476512 864845791 /nfs/dbraw/zinc/84/57/91/864845791.db2.gz HZAQYOVLCOUNJF-IIBYNOLFSA-N 0 1 414.571 4.440 20 0 HIADMN Cc1nc(CC(C)C)c(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 ZINC000439488107 864849509 /nfs/dbraw/zinc/84/95/09/864849509.db2.gz WAIFYCSYWILJHW-HNNXBMFYSA-N 0 1 401.580 4.392 20 0 HIADMN CCOC(=O)[C@]1(COC)CCCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000439496477 864853336 /nfs/dbraw/zinc/85/33/36/864853336.db2.gz SAATYFGTNGKAKC-OAQYLSRUSA-N 0 1 406.910 4.095 20 0 HIADMN COc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1F ZINC000439552829 864878447 /nfs/dbraw/zinc/87/84/47/864878447.db2.gz SZXGDOJHKNYBAD-SCLBCKFNSA-N 0 1 408.420 4.282 20 0 HIADMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000439557037 864882249 /nfs/dbraw/zinc/88/22/49/864882249.db2.gz KAUYEQJXNKJZMV-HOTGVXAUSA-N 0 1 423.454 4.232 20 0 HIADMN CN(C(=O)c1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1)c1ccccc1 ZINC000439566557 864890392 /nfs/dbraw/zinc/89/03/92/864890392.db2.gz GERXXWRPJDIBOR-UHFFFAOYSA-N 0 1 423.519 4.374 20 0 HIADMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000439569341 864891739 /nfs/dbraw/zinc/89/17/39/864891739.db2.gz IBGKDZLNMOPRKZ-HZPDHXFCSA-N 0 1 423.454 4.232 20 0 HIADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(c2ccccc2Br)CC1 ZINC000439575999 864897414 /nfs/dbraw/zinc/89/74/14/864897414.db2.gz BEACXJWWHFBJNB-QGZVFWFLSA-N 0 1 403.324 4.139 20 0 HIADMN O=S(=O)(Nc1ccc(OCc2ccccn2)c(F)c1)c1cnc2ccsc2c1 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DJWXBSSOVWGYIP-UHFFFAOYSA-N 0 1 419.553 4.204 20 0 HIADMN CCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CC)c(Cl)c2)c1 ZINC000443405840 867988221 /nfs/dbraw/zinc/98/82/21/867988221.db2.gz KNLVMQNEYFUJJH-UHFFFAOYSA-N 0 1 424.950 4.458 20 0 HIADMN COCc1ccc(S(=O)(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 ZINC000443422621 868005921 /nfs/dbraw/zinc/00/59/21/868005921.db2.gz MEYVYXIQXQPZLV-UHFFFAOYSA-N 0 1 423.494 4.186 20 0 HIADMN O=C1CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)ccc2N1 ZINC000443469184 868057619 /nfs/dbraw/zinc/05/76/19/868057619.db2.gz WJBNRTNCWWYJEJ-UHFFFAOYSA-N 0 1 404.797 4.044 20 0 HIADMN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccccc3N[C@@H](C)c3ccccc3)cc12 ZINC000443523028 868082412 /nfs/dbraw/zinc/08/24/12/868082412.db2.gz RBPZEDYVXPVACF-HNNXBMFYSA-N 0 1 421.526 4.251 20 0 HIADMN CN(C)Cc1cc(CNC(=O)Nc2cc(F)cc(F)c2Br)ccc1F ZINC000443532993 868091722 /nfs/dbraw/zinc/09/17/22/868091722.db2.gz SWOSHNRUALUEEF-UHFFFAOYSA-N 0 1 416.241 4.250 20 0 HIADMN COCCc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1 ZINC000443534241 868091797 /nfs/dbraw/zinc/09/17/97/868091797.db2.gz XRTNWYAXRCWUIS-UHFFFAOYSA-N 0 1 421.412 4.147 20 0 HIADMN CC(C)c1cccc(O[C@H](C(=O)N2CCC[C@H](c3nc[nH]n3)C2)c2ccccc2)c1 ZINC000443599986 868154883 /nfs/dbraw/zinc/15/48/83/868154883.db2.gz DIFSMWXXERGIHT-UNMCSNQZSA-N 0 1 404.514 4.454 20 0 HIADMN Cc1cc(CN(C)C[C@@H](O)COCc2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000443599048 868154949 /nfs/dbraw/zinc/15/49/49/868154949.db2.gz BFQBIFXLFSQCAJ-JOCHJYFZSA-N 0 1 411.933 4.115 20 0 HIADMN CN(C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000443614448 868182353 /nfs/dbraw/zinc/18/23/53/868182353.db2.gz KMUKJXNLPMRMOO-FPOVZHCZSA-N 0 1 421.438 4.203 20 0 HIADMN CN(C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000443614446 868182957 /nfs/dbraw/zinc/18/29/57/868182957.db2.gz KMUKJXNLPMRMOO-CTNGQTDRSA-N 0 1 421.438 4.203 20 0 HIADMN C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443636771 868216936 /nfs/dbraw/zinc/21/69/36/868216936.db2.gz GKZCQMYELZMFMS-NVXWUHKLSA-N 0 1 413.468 4.333 20 0 HIADMN O=C(CN1CCC[C@@H](c2nc3ccc(F)cc3o2)C1)NC1(c2ccccc2)CCC1 ZINC000443645855 868234494 /nfs/dbraw/zinc/23/44/94/868234494.db2.gz BDIYSQRJUNHKOL-QGZVFWFLSA-N 0 1 407.489 4.342 20 0 HIADMN O=C(CN1CCC[C@H](c2nc3ccc(F)cc3o2)C1)NC1(c2ccccc2)CCC1 ZINC000443645852 868235278 /nfs/dbraw/zinc/23/52/78/868235278.db2.gz BDIYSQRJUNHKOL-KRWDZBQOSA-N 0 1 407.489 4.342 20 0 HIADMN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443647219 868238395 /nfs/dbraw/zinc/23/83/95/868238395.db2.gz XMDHGESQBSDTGE-JTDSTZFVSA-N 0 1 423.488 4.175 20 0 HIADMN Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443650488 868247099 /nfs/dbraw/zinc/24/70/99/868247099.db2.gz PUYWTFJCUUPTKH-MJGOQNOKSA-N 0 1 409.505 4.202 20 0 HIADMN COc1ccc(Br)cc1-c1nc(CN(C)CC2(O)CCCC2)cs1 ZINC000443884502 868419906 /nfs/dbraw/zinc/41/99/06/868419906.db2.gz WQEIWRKBKSNXMS-UHFFFAOYSA-N 0 1 411.365 4.318 20 0 HIADMN COc1ccc(CNCc2ccc(-n3ccnc3)c(F)c2)c(OCc2cccnc2)c1 ZINC000443976039 868504860 /nfs/dbraw/zinc/50/48/60/868504860.db2.gz CKLPXCLSGVRDJZ-UHFFFAOYSA-N 0 1 418.472 4.284 20 0 HIADMN COc1ccc(Oc2ccc(CNCc3ccc(C)c(S(C)(=O)=O)c3)cc2)cc1 ZINC000443982149 868507693 /nfs/dbraw/zinc/50/76/93/868507693.db2.gz CCXAGVYSIWHWOH-UHFFFAOYSA-N 0 1 411.523 4.489 20 0 HIADMN CCOC(=O)Cc1csc(NC(=O)c2[nH]c(-c3ccc(Cl)cc3)nc2CC)n1 ZINC000444037897 868573812 /nfs/dbraw/zinc/57/38/12/868573812.db2.gz GTVGMHZTIQQXMP-UHFFFAOYSA-N 0 1 418.906 4.107 20 0 HIADMN CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(SC3CCCCC3)cc2C)CC1 ZINC000444037998 868576177 /nfs/dbraw/zinc/57/61/77/868576177.db2.gz XJGZYDISDDUPSP-SFHVURJKSA-N 0 1 405.608 4.340 20 0 HIADMN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000444046281 868584794 /nfs/dbraw/zinc/58/47/94/868584794.db2.gz CTIOWNLNBHFYJN-HNNXBMFYSA-N 0 1 414.424 4.018 20 0 HIADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@H](COCc2ccccc2)C1 ZINC000444168830 868645522 /nfs/dbraw/zinc/64/55/22/868645522.db2.gz PEYIIDFUMOMIEJ-FPOVZHCZSA-N 0 1 406.526 4.491 20 0 HIADMN O=C(Nc1ccc(F)cc1I)c1c[nH]nc1-c1ccsc1 ZINC000444176209 868650641 /nfs/dbraw/zinc/65/06/41/868650641.db2.gz ODXFCEKSWFHKIL-UHFFFAOYSA-N 0 1 413.215 4.134 20 0 HIADMN Cc1ccc([C@H]2CCC[C@H]2N(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000444234897 868683337 /nfs/dbraw/zinc/68/33/37/868683337.db2.gz HKXGAGJTXDMKJR-DHIUTWEWSA-N 0 1 421.585 4.243 20 0 HIADMN CC[C@H](Cc1ccc(C)cc1)N(CC)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000444240032 868688876 /nfs/dbraw/zinc/68/88/76/868688876.db2.gz LFCWDKNDRSNUOW-HXUWFJFHSA-N 0 1 417.557 4.041 20 0 HIADMN COc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1Oc1ccc(C)nn1 ZINC000444282922 868712212 /nfs/dbraw/zinc/71/22/12/868712212.db2.gz CNZNQHUJFKJYTL-UHFFFAOYSA-N 0 1 407.455 4.290 20 0 HIADMN CCCc1c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cnn1-c1cccc(C)c1 ZINC000444295391 868724259 /nfs/dbraw/zinc/72/42/59/868724259.db2.gz SMKRHRCKPLZBAJ-UHFFFAOYSA-N 0 1 405.477 4.121 20 0 HIADMN O=C(N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000444299435 868728288 /nfs/dbraw/zinc/72/82/88/868728288.db2.gz UYLMBBVULXMAQU-AWEZNQCLSA-N 0 1 404.436 4.139 20 0 HIADMN CN(C)Cc1ccc(CNC(=O)c2ccc(Br)c(Cl)c2F)cc1F ZINC000444331327 868756277 /nfs/dbraw/zinc/75/62/77/868756277.db2.gz ZSLBXDISXVFIGD-UHFFFAOYSA-N 0 1 417.681 4.372 20 0 HIADMN CC(C)[C@H](CNC(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1)N1CCN(C)CC1 ZINC000444337327 868764923 /nfs/dbraw/zinc/76/49/23/868764923.db2.gz LRUZJLQZUPJHLT-NLFFAJNJSA-N 0 1 422.617 4.347 20 0 HIADMN COc1ccc(-c2ncc(C(=O)Nc3[nH]nc4c3cccc4Cl)s2)cc1OC ZINC000444337133 868765271 /nfs/dbraw/zinc/76/52/71/868765271.db2.gz PHQKJSRITGUKEU-UHFFFAOYSA-N 0 1 414.874 4.609 20 0 HIADMN CCOC(=O)c1cnc(C)c(NC(=O)c2[nH]c(-c3ccc(Cl)cc3)nc2CC)c1 ZINC000444359164 868785638 /nfs/dbraw/zinc/78/56/38/868785638.db2.gz VVTRASNSRZLPQO-UHFFFAOYSA-N 0 1 412.877 4.425 20 0 HIADMN CCc1nc(-c2ccc(Cl)cc2)[nH]c1C(=O)Nc1ccccc1C[S@](C)=O ZINC000444364975 868790237 /nfs/dbraw/zinc/79/02/37/868790237.db2.gz AYHKOEIRCRJTPL-MHZLTWQESA-N 0 1 401.919 4.423 20 0 HIADMN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]nnc2c1 ZINC000444429941 868826453 /nfs/dbraw/zinc/82/64/53/868826453.db2.gz DEOWIGGMAAASMR-CQSZACIVSA-N 0 1 402.298 4.400 20 0 HIADMN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000444477194 868845218 /nfs/dbraw/zinc/84/52/18/868845218.db2.gz HQHSZFNFNNEQBA-VFZGTOFNSA-N 0 1 407.845 4.005 20 0 HIADMN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cn[nH]c1-c1ccccc1 ZINC000444533225 868871259 /nfs/dbraw/zinc/87/12/59/868871259.db2.gz IWMOEGNOUYJCGV-UHFFFAOYSA-N 0 1 420.513 4.343 20 0 HIADMN Fc1ccc(-c2nc(CN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)no2)c(F)c1 ZINC000444622722 868915235 /nfs/dbraw/zinc/91/52/35/868915235.db2.gz QRAXNLVNAYWZAY-KRWDZBQOSA-N 0 1 408.412 4.137 20 0 HIADMN Fc1ccc(-c2nc(CN3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)no2)c(F)c1 ZINC000444622722 868915248 /nfs/dbraw/zinc/91/52/48/868915248.db2.gz QRAXNLVNAYWZAY-KRWDZBQOSA-N 0 1 408.412 4.137 20 0 HIADMN O=C(c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)N1CCCC12CCC2 ZINC000444628607 868920174 /nfs/dbraw/zinc/92/01/74/868920174.db2.gz IQQDGVMJPSGGNO-UHFFFAOYSA-N 0 1 420.918 4.005 20 0 HIADMN C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000444702590 868964068 /nfs/dbraw/zinc/96/40/68/868964068.db2.gz JHJUHAABUNEZMF-IAGOWNOFSA-N 0 1 414.525 4.167 20 0 HIADMN C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000444702599 868964217 /nfs/dbraw/zinc/96/42/17/868964217.db2.gz JHJUHAABUNEZMF-SJORKVTESA-N 0 1 414.525 4.167 20 0 HIADMN Cc1csc2nc(CN[C@@H](C)c3cccc(OCc4ccccc4)c3)cc(=O)n12 ZINC000444713762 868970837 /nfs/dbraw/zinc/97/08/37/868970837.db2.gz ZRZGDTGCXNCSDG-KRWDZBQOSA-N 0 1 405.523 4.494 20 0 HIADMN C[C@H](NCC(=O)NCCc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000444728438 868979502 /nfs/dbraw/zinc/97/95/02/868979502.db2.gz FFOSDXLMRVJMGB-ZDUSSCGKSA-N 0 1 418.360 4.068 20 0 HIADMN O[C@@H]([C@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1)C(F)(F)F ZINC000444726841 868979670 /nfs/dbraw/zinc/97/96/70/868979670.db2.gz IXSWLGWYHYWUBG-LRDDRELGSA-N 0 1 403.242 4.133 20 0 HIADMN Cc1cc2c(ncnc2N2CCN(CCCC(=O)Nc3c(C)cccc3C)CC2)s1 ZINC000444732571 868981508 /nfs/dbraw/zinc/98/15/08/868981508.db2.gz WGWXKYAOIHABKH-UHFFFAOYSA-N 0 1 423.586 4.157 20 0 HIADMN C[C@H](NCC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(Br)cc1 ZINC000444743888 868984314 /nfs/dbraw/zinc/98/43/14/868984314.db2.gz NFEZTORHJLEENV-LBPRGKRZSA-N 0 1 413.262 4.018 20 0 HIADMN C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000444748954 868985981 /nfs/dbraw/zinc/98/59/81/868985981.db2.gz NQJSJQVRKOKGJR-IFIJOSMWSA-N 0 1 421.328 4.151 20 0 HIADMN C[C@H](N[C@@H](C)c1cccc(O)c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000444750439 868986165 /nfs/dbraw/zinc/98/61/65/868986165.db2.gz DKKTVUDLMJKCIB-GJZGRUSLSA-N 0 1 409.511 4.384 20 0 HIADMN CC(C)CN(CC(F)(F)F)C(=O)CN[C@@H](C)c1ccc(Br)s1 ZINC000444766708 868992572 /nfs/dbraw/zinc/99/25/72/868992572.db2.gz OOPWZYMODIPLPZ-JTQLQIEISA-N 0 1 401.292 4.208 20 0 HIADMN Cc1cccc2nc(C3CCN([C@H](C)C(=O)N4CCc5ccccc5C4)CC3)oc21 ZINC000444769969 868994735 /nfs/dbraw/zinc/99/47/35/868994735.db2.gz BKGPBDAEUKLDLU-GOSISDBHSA-N 0 1 403.526 4.289 20 0 HIADMN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc(Br)s2)C2CC2)cc1 ZINC000444771397 868995403 /nfs/dbraw/zinc/99/54/03/868995403.db2.gz JAHXETGHSBPVTA-BUXKBTBVSA-N 0 1 423.376 4.437 20 0 HIADMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000444776229 868998363 /nfs/dbraw/zinc/99/83/63/868998363.db2.gz OUGWDMDIUCHAIH-IBGZPJMESA-N 0 1 414.977 4.177 20 0 HIADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCCC34CCC4)cc2)cc1 ZINC000444781603 869000788 /nfs/dbraw/zinc/00/07/88/869000788.db2.gz HGQGGERDDKAYQJ-UHFFFAOYSA-N 0 1 407.514 4.295 20 0 HIADMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000444788289 869006110 /nfs/dbraw/zinc/00/61/10/869006110.db2.gz UCYJLCXLYDQGCO-FQEVSTJZSA-N 0 1 420.553 4.269 20 0 HIADMN COc1ccc(-c2noc([C@@H](C)N3CCC(CO)(Cc4ccccc4)CC3)n2)cc1 ZINC000444792292 869008464 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ZINC000463269062 876328301 /nfs/dbraw/zinc/32/83/01/876328301.db2.gz XKRDCCFXQCCRQQ-KRWDZBQOSA-N 0 1 415.965 4.308 20 0 HIADMN Fc1ccc(-c2nc(CN3CCN(CCCC4CCOCC4)CC3)cs2)cc1 ZINC000463284638 876343629 /nfs/dbraw/zinc/34/36/29/876343629.db2.gz ICTNJAXZQLQMSM-UHFFFAOYSA-N 0 1 403.567 4.274 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)[C@H]1SCCc2sccc21)N1CCCCC1 ZINC000463293901 876354492 /nfs/dbraw/zinc/35/44/92/876354492.db2.gz OSSDAZJEUCCCFH-NQIIRXRSSA-N 0 1 416.612 4.431 20 0 HIADMN CCO[C@H](C)c1ncc(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)s1 ZINC000463295142 876357140 /nfs/dbraw/zinc/35/71/40/876357140.db2.gz IXXZWQLWHUTIHQ-UZLBHIALSA-N 0 1 415.603 4.443 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2SCCc3ccccc32)CC1 ZINC000463335604 876391479 /nfs/dbraw/zinc/39/14/79/876391479.db2.gz QMYCTXKKKRMMAD-NRFANRHFSA-N 0 1 415.990 4.451 20 0 HIADMN COc1c(Br)c(C)sc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000463367393 876421367 /nfs/dbraw/zinc/42/13/67/876421367.db2.gz KLKMUWLYTIUNID-UHFFFAOYSA-N 0 1 423.376 4.176 20 0 HIADMN C[C@H](NC(=O)[C@H](C)N1CC[C@](CO)(c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000463372910 876428524 /nfs/dbraw/zinc/42/85/24/876428524.db2.gz ADAAUISDWOIUQG-DYLHXGEVSA-N 0 1 402.538 4.042 20 0 HIADMN Cc1ccc([C@@H](C)N(C)C(=O)c2[nH]nc3ccc(I)cc32)cc1 ZINC000463417836 876472211 /nfs/dbraw/zinc/47/22/11/876472211.db2.gz XZVCHHDLHLXUOR-GFCCVEGCSA-N 0 1 419.266 4.309 20 0 HIADMN O=C(NCc1ccc(F)cc1)c1nnc(CN[C@H]2CCCCC23CCCC3)s1 ZINC000463437177 876493630 /nfs/dbraw/zinc/49/36/30/876493630.db2.gz PWFLFMPBGVZZRX-KRWDZBQOSA-N 0 1 402.539 4.200 20 0 HIADMN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000463446801 876506347 /nfs/dbraw/zinc/50/63/47/876506347.db2.gz XQISXBKVAUXAFA-UHFFFAOYSA-N 0 1 412.396 4.057 20 0 HIADMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463450326 876510286 /nfs/dbraw/zinc/51/02/86/876510286.db2.gz CJLRSTIFKWYSGP-FDDCHVKYSA-N 0 1 400.950 4.293 20 0 HIADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463452683 876512465 /nfs/dbraw/zinc/51/24/65/876512465.db2.gz ZCGHQDOTNOTHSM-VGOFRKELSA-N 0 1 420.475 4.350 20 0 HIADMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463453550 876514335 /nfs/dbraw/zinc/51/43/35/876514335.db2.gz VSDXQBXRPYFNGN-FDDCHVKYSA-N 0 1 400.950 4.293 20 0 HIADMN CCN(CC)[C@H](CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccco1 ZINC000463503861 876565245 /nfs/dbraw/zinc/56/52/45/876565245.db2.gz XHUPXQYHJIETBM-GOSISDBHSA-N 0 1 403.498 4.216 20 0 HIADMN Cc1nn(C)c(Sc2ccccc2)c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000463527196 876599292 /nfs/dbraw/zinc/59/92/92/876599292.db2.gz RBTTXQUZJDUHKF-IBGZPJMESA-N 0 1 412.534 4.052 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(Cl)c(N4CCNC4=O)c3)[nH]c2c1 ZINC000463572761 876667207 /nfs/dbraw/zinc/66/72/07/876667207.db2.gz BLGJHVNZODKFGX-GOSISDBHSA-N 0 1 423.904 4.032 20 0 HIADMN Cc1ccc(CN2CCSCC2)cc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000463619133 876737609 /nfs/dbraw/zinc/73/76/09/876737609.db2.gz BYLOTTQNTNVDDO-UHFFFAOYSA-N 0 1 423.582 4.074 20 0 HIADMN COc1ccc(Cn2nc(C)c(CNCc3ccnc(N4CCCCC4)c3)c2C)cc1 ZINC000463735950 876857035 /nfs/dbraw/zinc/85/70/35/876857035.db2.gz HSRQJYMYWAWMEZ-UHFFFAOYSA-N 0 1 419.573 4.232 20 0 HIADMN COc1ccc(Cn2nc(C)c(CN[C@@H](C)c3ccc([S@@](C)=O)cc3)c2C)cc1 ZINC000463740995 876862428 /nfs/dbraw/zinc/86/24/28/876862428.db2.gz HRYAOESIPZFUER-GUNSETOZSA-N 0 1 411.571 4.145 20 0 HIADMN COc1cc(Br)cc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)c1 ZINC000463781227 876900700 /nfs/dbraw/zinc/90/07/00/876900700.db2.gz GHNBOIIUVNIWCV-UHFFFAOYSA-N 0 1 423.288 4.222 20 0 HIADMN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000463785684 876904635 /nfs/dbraw/zinc/90/46/35/876904635.db2.gz AEOWHRVSBJUQPV-UHFFFAOYSA-N 0 1 405.435 4.170 20 0 HIADMN CC(C)(CNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000469014497 883080729 /nfs/dbraw/zinc/08/07/29/883080729.db2.gz NMVHHHYRCRVLEV-QGZVFWFLSA-N 0 1 417.435 4.190 20 0 HIADMN Cc1[nH]ncc1CNC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000463994709 877129018 /nfs/dbraw/zinc/12/90/18/877129018.db2.gz IXZGOFUYOKIZHL-UHFFFAOYSA-N 0 1 401.829 4.085 20 0 HIADMN CC(C)([C@@H](NC(=O)c1cnc2cnccc2c1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000464086004 877237409 /nfs/dbraw/zinc/23/74/09/877237409.db2.gz STJINCNMNFHIQP-NRFANRHFSA-N 0 1 410.468 4.254 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)N2CCCC2)o1 ZINC000464143546 877308527 /nfs/dbraw/zinc/30/85/27/877308527.db2.gz WTLJGMVTPYQFTC-IKGGRYGDSA-N 0 1 401.473 4.487 20 0 HIADMN COc1ccccc1C[C@@H](C)N(C)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000464172605 877340532 /nfs/dbraw/zinc/34/05/32/877340532.db2.gz ZAMWBQALVHFHCX-QGZVFWFLSA-N 0 1 423.582 4.499 20 0 HIADMN COc1ccc(CN[C@@H](CO)c2ccc(Br)cc2)cc1OCC(C)C ZINC000503260537 912241356 /nfs/dbraw/zinc/24/13/56/912241356.db2.gz PEKZNASJAXPGLQ-SFHVURJKSA-N 0 1 408.336 4.316 20 0 HIADMN OC[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(Br)cc1 ZINC000503266056 912246451 /nfs/dbraw/zinc/24/64/51/912246451.db2.gz HXVPFQYDQXZAHJ-MRXNPFEDSA-N 0 1 412.711 4.087 20 0 HIADMN CN1CC[C@@H](CNC(=O)N2CC(c3ccccc3F)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000464387954 877588596 /nfs/dbraw/zinc/58/85/96/877588596.db2.gz QWKGNNZEQDHQEF-YCRPNKLZSA-N 0 1 419.903 4.420 20 0 HIADMN OC[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1 ZINC000503274592 912256929 /nfs/dbraw/zinc/25/69/29/912256929.db2.gz YYJWMNKUQBVVFZ-OAQYLSRUSA-N 0 1 413.315 4.246 20 0 HIADMN Cc1cccc(S(=O)(=O)CCCN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000464499541 877720696 /nfs/dbraw/zinc/72/06/96/877720696.db2.gz UTCOARZMRIQCQN-RBBKRZOGSA-N 0 1 405.535 4.150 20 0 HIADMN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000464556488 877773164 /nfs/dbraw/zinc/77/31/64/877773164.db2.gz KJWQJJUINSNIPW-YGRLFVJLSA-N 0 1 413.275 4.172 20 0 HIADMN CC[C@H](C)[C@H](C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)c1ccccc1 ZINC000464562477 877781219 /nfs/dbraw/zinc/78/12/19/877781219.db2.gz WPRKXUSUQQTEGI-RDPSFJRHSA-N 0 1 409.574 4.081 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000464576754 877801627 /nfs/dbraw/zinc/80/16/27/877801627.db2.gz RDVZKPMBGJZZBJ-UHFFFAOYSA-N 0 1 416.666 4.417 20 0 HIADMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000464582429 877806353 /nfs/dbraw/zinc/80/63/53/877806353.db2.gz VBQCLHIURAPSDH-UHFFFAOYSA-N 0 1 422.286 4.252 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000464600506 877829079 /nfs/dbraw/zinc/82/90/79/877829079.db2.gz HMGIFTXVEFFRGF-DOTOQJQBSA-N 0 1 414.550 4.190 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1Br ZINC000464602358 877831603 /nfs/dbraw/zinc/83/16/03/877831603.db2.gz QCHXKTUJDDHSJX-OCCSQVGLSA-N 0 1 407.356 4.387 20 0 HIADMN COc1ccc([C@H](NC(=O)c2ccc3[nH]nnc3c2)c2ccccc2Cl)c(C)c1 ZINC000464639821 877857951 /nfs/dbraw/zinc/85/79/51/877857951.db2.gz VYNGPCVWMZYVRM-NRFANRHFSA-N 0 1 406.873 4.448 20 0 HIADMN COc1ccccc1S(=O)(=O)CCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000464675927 877893552 /nfs/dbraw/zinc/89/35/52/877893552.db2.gz CHWFOCAPOZYLHF-QHCPKHFHSA-N 0 1 413.514 4.377 20 0 HIADMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000503310564 912291680 /nfs/dbraw/zinc/29/16/80/912291680.db2.gz COPUVJUULLOPJB-IBGZPJMESA-N 0 1 414.513 4.422 20 0 HIADMN Cc1[nH]c(SCC(=O)N2CCOC[C@@H]2c2ccccc2)nc1Cc1ccccc1 ZINC000464721691 877950620 /nfs/dbraw/zinc/95/06/20/877950620.db2.gz YBQWLJWXDNEAFJ-OAQYLSRUSA-N 0 1 407.539 4.001 20 0 HIADMN C[C@@H]1C[C@@H](c2ccccc2F)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000464729900 877964080 /nfs/dbraw/zinc/96/40/80/877964080.db2.gz FFGFMDQTTUWMOL-YHYVQYDKSA-N 0 1 424.516 4.344 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ncc(-c3ccccc3)o2)C1 ZINC000464736176 877970689 /nfs/dbraw/zinc/97/06/89/877970689.db2.gz VGTIBYSBZPRIHZ-QGZVFWFLSA-N 0 1 409.452 4.355 20 0 HIADMN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000464739279 877973777 /nfs/dbraw/zinc/97/37/77/877973777.db2.gz UWPQPJFXGVGLOG-DOTOQJQBSA-N 0 1 424.467 4.311 20 0 HIADMN COc1ccc(OC)c(NC(=O)[C@@H](C)N2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000464760239 878002193 /nfs/dbraw/zinc/00/21/93/878002193.db2.gz DSZHBEISAPFPHZ-IAGOWNOFSA-N 0 1 400.544 4.145 20 0 HIADMN CCOC(=O)C1CCN(C(=O)CN(C)[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000464764949 878006296 /nfs/dbraw/zinc/00/62/96/878006296.db2.gz IYPRFUYNPWXVSK-LJQANCHMSA-N 0 1 408.542 4.148 20 0 HIADMN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000464765223 878007249 /nfs/dbraw/zinc/00/72/49/878007249.db2.gz ZQLHPTXMZPADMZ-MOPGFXCFSA-N 0 1 423.582 4.255 20 0 HIADMN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@H](CSc2ccccc2)C1 ZINC000464765326 878007402 /nfs/dbraw/zinc/00/74/02/878007402.db2.gz LDORWHKMLWYEMR-MSOLQXFVSA-N 0 1 412.555 4.289 20 0 HIADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C1 ZINC000464771094 878014530 /nfs/dbraw/zinc/01/45/30/878014530.db2.gz LGIXDCLSBZIVOW-WOJBJXKFSA-N 0 1 400.592 4.342 20 0 HIADMN CCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000464772407 878015004 /nfs/dbraw/zinc/01/50/04/878015004.db2.gz 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C[C@@H]1CCN(C(=O)c2csc(Cc3ccccc3)n2)CCN1Cc1ccccc1 ZINC000464893911 878196180 /nfs/dbraw/zinc/19/61/80/878196180.db2.gz NYQAOONBWDKJKQ-LJQANCHMSA-N 0 1 405.567 4.471 20 0 HIADMN C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CCN1Cc1ccccc1 ZINC000464896176 878200111 /nfs/dbraw/zinc/20/01/11/878200111.db2.gz NQRDXOATODGTTG-HXUWFJFHSA-N 0 1 414.553 4.098 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000464936842 878267525 /nfs/dbraw/zinc/26/75/25/878267525.db2.gz JGLVKTPSIUQZCX-VQTJNVASSA-N 0 1 413.949 4.233 20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3cccc(-c4nnc[nH]4)c3)s2)cc1 ZINC000503358387 912332022 /nfs/dbraw/zinc/33/20/22/912332022.db2.gz MFOGIFPHIAJWRS-ZDUSSCGKSA-N 0 1 419.510 4.403 20 0 HIADMN CO[C@H](C)c1cccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)c1 ZINC000503368799 912346094 /nfs/dbraw/zinc/34/60/94/912346094.db2.gz RXTSBVLKGKBIAW-IAGOWNOFSA-N 0 1 414.525 4.168 20 0 HIADMN CCCCOC1CCN(C(=O)c2n[nH]c(-c3ccccc3)c2Br)CC1 ZINC000465089899 878455281 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1 420.282 4.167 20 0 HIADMN COc1ccc(NC(=O)[C@H](NCc2nc3ccc(C)cc3[nH]2)c2ccccc2)cc1 ZINC000465414783 878847930 /nfs/dbraw/zinc/84/79/30/878847930.db2.gz VRXHHBOJSBPKSU-HSZRJFAPSA-N 0 1 400.482 4.350 20 0 HIADMN CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 ZINC000465433109 878865403 /nfs/dbraw/zinc/86/54/03/878865403.db2.gz MHBXORVWRDKEQP-GGAORHGYSA-N 0 1 409.574 4.495 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)c1ccc(F)cc1F)N1CCCC1 ZINC000465436848 878870019 /nfs/dbraw/zinc/87/00/19/878870019.db2.gz VPATVMQMGPNLSW-IERDGZPVSA-N 0 1 417.500 4.213 20 0 HIADMN COc1cc(OC)c(NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)cc1Cl ZINC000503412907 912395183 /nfs/dbraw/zinc/39/51/83/912395183.db2.gz QTHKSFOHTPHCSD-FKIZINRSSA-N 0 1 409.313 4.474 20 0 HIADMN CCN(CC)C(=O)c1ccc(NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)cc1 ZINC000503414060 912397189 /nfs/dbraw/zinc/39/71/89/912397189.db2.gz WBEHIOMMRGABGF-WAIKUNEKSA-N 0 1 413.949 4.285 20 0 HIADMN COc1cccc(Oc2ccc(CNC(=O)NCc3nc4ccc(C)cc4[nH]3)cn2)c1 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COc1ccccc1C[C@@H](C)N(C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000465648061 879167352 /nfs/dbraw/zinc/16/73/52/879167352.db2.gz DGYZQTAWLOAIOJ-GOSISDBHSA-N 0 1 413.537 4.071 20 0 HIADMN CN(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1OC(F)F)c1ccc(F)cc1 ZINC000465678511 879220249 /nfs/dbraw/zinc/22/02/49/879220249.db2.gz BYMOOGBTFAXUKG-INIZCTEOSA-N 0 1 415.843 4.183 20 0 HIADMN O=C(c1cccc(CN2CCC(N3CCc4ccccc43)CC2)c1)N1CCCCC1 ZINC000503437402 912445284 /nfs/dbraw/zinc/44/52/84/912445284.db2.gz PPMVLGMEAIJEAH-UHFFFAOYSA-N 0 1 403.570 4.340 20 0 HIADMN O=C(NC1CCN(Cc2ccccc2OCc2ccncc2)CC1)C1CCCCC1 ZINC000512370489 921111511 /nfs/dbraw/zinc/11/15/11/921111511.db2.gz RXIJSZCNIGUJPQ-UHFFFAOYSA-N 0 1 407.558 4.322 20 0 HIADMN Cc1cc(F)ccc1N1CCC[C@@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)C1=O ZINC000503438376 912448864 /nfs/dbraw/zinc/44/88/64/912448864.db2.gz HDPWNXWTCPOKDZ-XMSQKQJNSA-N 0 1 410.537 4.042 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)N2CCCC2)o1 ZINC000465811924 879431660 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HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NC3CCC(C)(C)CC3)CC2)c1C ZINC000466009489 879688656 /nfs/dbraw/zinc/68/86/56/879688656.db2.gz OBXHTCXSEUHQJX-UHFFFAOYSA-N 0 1 416.610 4.282 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@H](C)CCC(C)C)CC2)c1C ZINC000503464058 912495739 /nfs/dbraw/zinc/49/57/39/912495739.db2.gz QPCJKKQAZYXFSU-GOSISDBHSA-N 0 1 404.599 4.138 20 0 HIADMN CC[C@@H](C)[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000466085630 879805154 /nfs/dbraw/zinc/80/51/54/879805154.db2.gz NDFFOYCWKJDCRB-UTKZUKDTSA-N 0 1 407.986 4.181 20 0 HIADMN C[C@@]1(CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCO[C@H]1C1CC1 ZINC000466218763 879916323 /nfs/dbraw/zinc/91/63/23/879916323.db2.gz BJRRYGBHTZQWPE-GMAHTHKFSA-N 0 1 419.997 4.056 20 0 HIADMN COCc1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cnn1-c1ccccc1 ZINC000466250554 879969268 /nfs/dbraw/zinc/96/92/68/879969268.db2.gz HROZYPAHIGMQLN-UHFFFAOYSA-N 0 1 424.464 4.209 20 0 HIADMN CCN(C(=O)c1cc(COc2ccccc2F)on1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000466260704 879989951 /nfs/dbraw/zinc/98/99/51/879989951.db2.gz YTGXLMGWHWNQIQ-LJQANCHMSA-N 0 1 423.488 4.129 20 0 HIADMN Cc1cc(CNCc2ccc(Br)o2)ccc1I ZINC000466365428 880123916 /nfs/dbraw/zinc/12/39/16/880123916.db2.gz UVTFCJZYATXBSN-UHFFFAOYSA-N 0 1 406.061 4.245 20 0 HIADMN CC(C)(C)c1ncc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)s1 ZINC000466446566 880222935 /nfs/dbraw/zinc/22/29/35/880222935.db2.gz RGCMBFUWNUXXCE-CQSZACIVSA-N 0 1 411.493 4.350 20 0 HIADMN COc1cccc(Oc2ccc(CNCc3cncc(Br)c3)cn2)c1 ZINC000466467555 880250292 /nfs/dbraw/zinc/25/02/92/880250292.db2.gz WPUXINJHKMGVHL-UHFFFAOYSA-N 0 1 400.276 4.330 20 0 HIADMN COc1ccc2c(c1)[C@@H](NCc1ccc(OC)c(OCc3cccnc3)c1)CCO2 ZINC000466468683 880251106 /nfs/dbraw/zinc/25/11/06/880251106.db2.gz JQVVJYLZKCKUTG-NRFANRHFSA-N 0 1 406.482 4.291 20 0 HIADMN CC(=O)N(c1nc(CNC[C@@]2(C)CCO[C@H]2C2CC2)cs1)c1ccc(F)cc1 ZINC000466470675 880252624 /nfs/dbraw/zinc/25/26/24/880252624.db2.gz AMXMRQUYLSJSKX-PZJWPPBQSA-N 0 1 403.523 4.262 20 0 HIADMN 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HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000503641555 912744788 /nfs/dbraw/zinc/74/47/88/912744788.db2.gz FVJOODVTIPEWNQ-UHFFFAOYSA-N 0 1 416.928 4.211 20 0 HIADMN CN(C)[C@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)c1cccc(C(F)(F)F)c1 ZINC000469508389 883764179 /nfs/dbraw/zinc/76/41/79/883764179.db2.gz KTMYRMLQNJKTJG-CVEARBPZSA-N 0 1 413.465 4.046 20 0 HIADMN Cc1cccc2nc(CCC(=O)N(C)CCOc3ccc(C(F)(F)F)cc3)[nH]c21 ZINC000469514760 883775094 /nfs/dbraw/zinc/77/50/94/883775094.db2.gz BMYJJGYFDQYGAL-UHFFFAOYSA-N 0 1 405.420 4.360 20 0 HIADMN COc1ccc(Nc2nc(C(=O)NCc3ccc(F)c(CN(C)C)c3)cs2)cc1 ZINC000469524870 883795593 /nfs/dbraw/zinc/79/55/93/883795593.db2.gz FWPVUMKWQBNTMH-UHFFFAOYSA-N 0 1 414.506 4.026 20 0 HIADMN CN1CCN(Cc2cccc(C(=O)Nc3nc(/C=C\c4ccccc4)cs3)c2)CC1 ZINC000469563020 883815976 /nfs/dbraw/zinc/81/59/76/883815976.db2.gz AHOWBXYEODKCMZ-KHPPLWFESA-N 0 1 418.566 4.313 20 0 HIADMN CC(C)c1cnc(-c2ccc(NC(=O)CCN3CCN(c4ccccn4)CC3)cc2)o1 ZINC000469565283 883816903 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415.541 4.092 20 0 HIADMN Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)n1ccc2ccccc2c1=O ZINC000469634203 883842966 /nfs/dbraw/zinc/84/29/66/883842966.db2.gz RUHIMTHSKRPDMV-SFHVURJKSA-N 0 1 421.566 4.058 20 0 HIADMN CCN1CCN(CC(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000469667529 883859727 /nfs/dbraw/zinc/85/97/27/883859727.db2.gz QNZXSDURIAFNAS-UHFFFAOYSA-N 0 1 407.436 4.074 20 0 HIADMN Cc1cn2cc(NC(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N(C)C)ccc2n1 ZINC000469668839 883860395 /nfs/dbraw/zinc/86/03/95/883860395.db2.gz ZQBIZTGDPSLPCW-KRWDZBQOSA-N 0 1 405.424 4.086 20 0 HIADMN Cc1c(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cnn1CC(C)C ZINC000469680698 883867409 /nfs/dbraw/zinc/86/74/09/883867409.db2.gz NGMKIINJEUVDDX-GOSISDBHSA-N 0 1 411.472 4.291 20 0 HIADMN Cc1nnc(SCC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)[nH]1 ZINC000469690448 883872041 /nfs/dbraw/zinc/87/20/41/883872041.db2.gz LDHCIVNJAMBLKU-CYBMUJFWSA-N 0 1 401.561 4.165 20 0 HIADMN Cc1n[nH]c(SCC(=O)N(C)[C@H](C)c2sc(-c3ccc(C)cc3)nc2C)n1 ZINC000469690448 883872043 /nfs/dbraw/zinc/87/20/43/883872043.db2.gz LDHCIVNJAMBLKU-CYBMUJFWSA-N 0 1 401.561 4.165 20 0 HIADMN COc1ccc2[nH]cc(C3=CCN(CCOCC(F)(F)C(F)(F)F)CC3)c2c1 ZINC000469712654 883883051 /nfs/dbraw/zinc/88/30/51/883883051.db2.gz NBJWZNVOPBPXSC-UHFFFAOYSA-N 0 1 404.379 4.480 20 0 HIADMN COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(Nc4ccncc4)cc3)C2)cc1 ZINC000469720268 883885574 /nfs/dbraw/zinc/88/55/74/883885574.db2.gz LMOQVWBZIMTCDH-HXUWFJFHSA-N 0 1 401.510 4.351 20 0 HIADMN COC(=O)c1ccccc1-c1ccccc1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000469727095 883888087 /nfs/dbraw/zinc/88/80/87/883888087.db2.gz DRGHSUZJEHDUOZ-UHFFFAOYSA-N 0 1 420.484 4.271 20 0 HIADMN CO[C@](C)(C(=O)NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1F ZINC000469737355 883893784 /nfs/dbraw/zinc/89/37/84/883893784.db2.gz ZJTZHOGSOQOEBB-QPJICYPMSA-N 0 1 422.903 4.289 20 0 HIADMN COc1cc(Br)ccc1[C@@H](C)NCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000469739665 883896365 /nfs/dbraw/zinc/89/63/65/883896365.db2.gz NOLPWNCEEYFXLQ-CABCVRRESA-N 0 1 405.336 4.328 20 0 HIADMN COc1ccc2c(c1)[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)CC2 ZINC000469803392 883978319 /nfs/dbraw/zinc/97/83/19/883978319.db2.gz ZTOAYHUKFMYZKA-QUCCMNQESA-N 0 1 406.448 4.163 20 0 HIADMN COc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4n[nH]c(C5CCCCC5)n4)C3)cc2c1 ZINC000469811026 883986526 /nfs/dbraw/zinc/98/65/26/883986526.db2.gz SZOWAKGAAZLUCY-MRXNPFEDSA-N 0 1 407.518 4.362 20 0 HIADMN O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)N1CCN(C2CCOCC2)CC1 ZINC000469856870 884041797 /nfs/dbraw/zinc/04/17/97/884041797.db2.gz PXYVZPRRWKNDAJ-UHFFFAOYSA-N 0 1 417.456 4.086 20 0 HIADMN C[N@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469888673 884079844 /nfs/dbraw/zinc/07/98/44/884079844.db2.gz IQEYASPHQXRWOX-FLAIETJXSA-N 0 1 410.961 4.165 20 0 HIADMN CN1CC[C@H](CNC(=O)C(C)(C)C2CCC(O)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469888673 884079861 /nfs/dbraw/zinc/07/98/61/884079861.db2.gz IQEYASPHQXRWOX-FLAIETJXSA-N 0 1 410.961 4.165 20 0 HIADMN Cc1cccc(CCNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)n1 ZINC000469914852 884104694 /nfs/dbraw/zinc/10/46/94/884104694.db2.gz FHFAABAQOQFZAJ-UHFFFAOYSA-N 0 1 413.350 4.285 20 0 HIADMN O=C(Nc1ccc(Cc2nnc3ccccn32)cc1)c1ccc(Nc2ccncc2)cc1 ZINC000469963937 884170508 /nfs/dbraw/zinc/17/05/08/884170508.db2.gz JOMYPUQLWCURBH-UHFFFAOYSA-N 0 1 420.476 4.133 20 0 HIADMN CCc1c(NC(=O)COc2ccc(O)cc2)[nH]nc1-c1ccc(Br)cc1 ZINC000469968717 884179266 /nfs/dbraw/zinc/17/92/66/884179266.db2.gz FBZALMJMESHDPP-UHFFFAOYSA-N 0 1 416.275 4.125 20 0 HIADMN C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000469970288 884181251 /nfs/dbraw/zinc/18/12/51/884181251.db2.gz YZTMEYPXNJVEPC-IFMALSPDSA-N 0 1 406.574 4.211 20 0 HIADMN CC1(C)[C@H](C(F)(F)F)CCN1CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000469996404 884213637 /nfs/dbraw/zinc/21/36/37/884213637.db2.gz NBMGNBVAIYRFFT-LJQANCHMSA-N 0 1 405.464 4.446 20 0 HIADMN CN(Cc1ccccc1Br)C(=O)CN1CC[C@H](C(F)(F)F)C1(C)C ZINC000469999569 884216036 /nfs/dbraw/zinc/21/60/36/884216036.db2.gz LYFWTQBMVQFSIW-AWEZNQCLSA-N 0 1 407.274 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416.543 4.003 20 0 HIADMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000476596231 891529755 /nfs/dbraw/zinc/52/97/55/891529755.db2.gz LPAYGASEOHVIHH-SFHVURJKSA-N 0 1 408.483 4.072 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccn(-c3cccc(C(F)(F)F)c3)n1)C2 ZINC000476597622 891530964 /nfs/dbraw/zinc/53/09/64/891530964.db2.gz GFSZHLQRQZNYML-CYBMUJFWSA-N 0 1 417.435 4.481 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)c3cc4c([nH]3)c(F)ccc4OC)CCN2C2CC2)c1 ZINC000476597234 891531293 /nfs/dbraw/zinc/53/12/93/891531293.db2.gz KLCFKILLGUAOOT-AUSIDOKSSA-N 0 1 423.488 4.032 20 0 HIADMN CCc1nc([C@H](C)NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cs1 ZINC000476621393 891556599 /nfs/dbraw/zinc/55/65/99/891556599.db2.gz ANLYFIOSUBVRJN-JXFKEZNVSA-N 0 1 416.591 4.302 20 0 HIADMN Cc1cccc2nc(CNC(=O)Nc3cccc4c3CN(CC(F)(F)F)C4)[nH]c21 ZINC000504843292 913569911 /nfs/dbraw/zinc/56/99/11/913569911.db2.gz PLYKFUPOHRDECX-UHFFFAOYSA-N 0 1 403.408 4.071 20 0 HIADMN Cc1cc(Br)ccc1CNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000476656002 891599383 /nfs/dbraw/zinc/59/93/83/891599383.db2.gz NNTSWDFNMUGUTQ-SFHVURJKSA-N 0 1 420.351 4.377 20 0 HIADMN O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)Nc1ccsc1 ZINC000476668880 891618340 /nfs/dbraw/zinc/61/83/40/891618340.db2.gz CFMURSFHNBTCCD-UHFFFAOYSA-N 0 1 406.555 4.392 20 0 HIADMN COC(=O)C[C@@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)c1ccc2ccccc2c1 ZINC000476729470 891697030 /nfs/dbraw/zinc/69/70/30/891697030.db2.gz RHNNQPOJXVFVMB-PZJWPPBQSA-N 0 1 419.525 4.212 20 0 HIADMN CCn1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c(=O)c2cc(Cl)ccc21 ZINC000476769024 891742630 /nfs/dbraw/zinc/74/26/30/891742630.db2.gz UCMWQIRXSWAJCY-JOCHJYFZSA-N 0 1 423.944 4.242 20 0 HIADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000476827039 891809726 /nfs/dbraw/zinc/80/97/26/891809726.db2.gz UWCRRYHKDVIABU-KRWDZBQOSA-N 0 1 414.494 4.123 20 0 HIADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000476913617 891864801 /nfs/dbraw/zinc/86/48/01/891864801.db2.gz GOHWKATTXQYEAM-UHFFFAOYSA-N 0 1 407.905 4.316 20 0 HIADMN CC(C)(CC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)C1CCCCC1 ZINC000476923467 891871701 /nfs/dbraw/zinc/87/17/01/891871701.db2.gz DUVALJKOKIRKOO-UHFFFAOYSA-N 0 1 416.547 4.213 20 0 HIADMN O=C(c1ccn(Cc2ccccc2)n1)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000476931835 891876127 /nfs/dbraw/zinc/87/61/27/891876127.db2.gz ZHFGXMTVLYDRJS-HXUWFJFHSA-N 0 1 405.889 4.438 20 0 HIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CC(COc2ccccc2)C1 ZINC000476993463 891920102 /nfs/dbraw/zinc/92/01/02/891920102.db2.gz VKDVRJBXLFBKLH-UHFFFAOYSA-N 0 1 413.949 4.025 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc3sc(N4CCCC4)nc3s2)n[nH]1 ZINC000477023793 891950033 /nfs/dbraw/zinc/95/00/33/891950033.db2.gz XDNFPQAQMSAUPT-QWRGUYRKSA-N 0 1 404.565 4.081 20 0 HIADMN O=C(Nc1cccc(OCc2cccnc2)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504881866 913613022 /nfs/dbraw/zinc/61/30/22/913613022.db2.gz KNYZMDYCRJSZJG-QHCPKHFHSA-N 0 1 416.525 4.447 20 0 HIADMN O=c1nc(C[N@H+]2CCC[C@]3(CCCOC3)C2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000477073179 892006534 /nfs/dbraw/zinc/00/65/34/892006534.db2.gz XIVYHRGCTRKYBA-QFIPXVFZSA-N 0 1 413.518 4.183 20 0 HIADMN CCCN(C(=O)c1ccncc1Br)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000477080318 892014766 /nfs/dbraw/zinc/01/47/66/892014766.db2.gz CPDHUNIACCUFOU-SFHVURJKSA-N 0 1 416.363 4.361 20 0 HIADMN Cc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)cc1C(=O)N1CCCCC1 ZINC000477120629 892050242 /nfs/dbraw/zinc/05/02/42/892050242.db2.gz KSKPAWNVZYMQOQ-QGZVFWFLSA-N 0 1 408.546 4.211 20 0 HIADMN CCN(CCNC(=O)c1cc(F)c(Br)cc1Cl)CCC(F)(F)F ZINC000477125572 892054660 /nfs/dbraw/zinc/05/46/60/892054660.db2.gz XOGCOIWQXDTZEX-UHFFFAOYSA-N 0 1 419.644 4.246 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000477136132 892063201 /nfs/dbraw/zinc/06/32/01/892063201.db2.gz CGYMORMORHLFBO-HNNXBMFYSA-N 0 1 404.917 4.422 20 0 HIADMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OCC2CC2)c2ccccc12 ZINC000477168543 892089734 /nfs/dbraw/zinc/08/97/34/892089734.db2.gz WXCXRXFPYBCIBS-UHFFFAOYSA-N 0 1 410.495 4.388 20 0 HIADMN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC(OCc2ccccc2)CC1 ZINC000477168887 892089815 /nfs/dbraw/zinc/08/98/15/892089815.db2.gz UUTFIJDQZOUKJJ-OAQYLSRUSA-N 0 1 406.570 4.495 20 0 HIADMN O=C(NCCOc1ccccc1)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000504896639 913627546 /nfs/dbraw/zinc/62/75/46/913627546.db2.gz UONFACYQUQSSQP-UHFFFAOYSA-N 0 1 421.463 4.002 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)n[nH]1 ZINC000477196602 892121824 /nfs/dbraw/zinc/12/18/24/892121824.db2.gz SBLAOBBXAFNXLM-SCLBCKFNSA-N 0 1 419.367 4.122 20 0 HIADMN Cc1cc(C[C@H](C)NC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)n[nH]1 ZINC000477197679 892124507 /nfs/dbraw/zinc/12/45/07/892124507.db2.gz XPUYSBSPXGWSNI-DYZYQPBXSA-N 0 1 409.303 4.001 20 0 HIADMN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)c12 ZINC000477261614 892213772 /nfs/dbraw/zinc/21/37/72/892213772.db2.gz GCPBHUVKCWRZQI-CYBMUJFWSA-N 0 1 409.538 4.105 20 0 HIADMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)n[nH]1 ZINC000504909983 913643357 /nfs/dbraw/zinc/64/33/57/913643357.db2.gz SOCBZVZRSFTDQZ-VIFPVBQESA-N 0 1 405.808 4.405 20 0 HIADMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000477321486 892285556 /nfs/dbraw/zinc/28/55/56/892285556.db2.gz SWFOQXAZJDZBGE-UHFFFAOYSA-N 0 1 416.506 4.259 20 0 HIADMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000477325555 892294298 /nfs/dbraw/zinc/29/42/98/892294298.db2.gz USHRWUHHGJCJJL-NSHDSACASA-N 0 1 406.412 4.136 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)n[nH]1 ZINC000477325473 892294382 /nfs/dbraw/zinc/29/43/82/892294382.db2.gz UKLWQPSVNTYEID-VXGBXAGGSA-N 0 1 403.939 4.488 20 0 HIADMN COCc1cccc(OCC2(CN3CCN(C/C=C\c4ccccc4)CC3)CC2)c1 ZINC000477366835 892330685 /nfs/dbraw/zinc/33/06/85/892330685.db2.gz ISZPZHIBOSUQQN-POHAHGRESA-N 0 1 406.570 4.323 20 0 HIADMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(OCC(F)F)ccn1 ZINC000477379175 892340286 /nfs/dbraw/zinc/34/02/86/892340286.db2.gz KCWWMVACYOYXHI-NRFANRHFSA-N 0 1 408.408 4.121 20 0 HIADMN CC(C)(C)c1nnsc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000477380503 892341688 /nfs/dbraw/zinc/34/16/88/892341688.db2.gz YFZAXIPZRHWFIJ-UHFFFAOYSA-N 0 1 406.983 4.131 20 0 HIADMN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000477384341 892342794 /nfs/dbraw/zinc/34/27/94/892342794.db2.gz JTKOMKKUVOLESD-UHFFFAOYSA-N 0 1 406.404 4.285 20 0 HIADMN O=C(CNC1(c2ccc(Br)cc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000477412275 892365693 /nfs/dbraw/zinc/36/56/93/892365693.db2.gz NZVRBYOHZXFGLA-UHFFFAOYSA-N 0 1 403.364 4.113 20 0 HIADMN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000477413296 892365876 /nfs/dbraw/zinc/36/58/76/892365876.db2.gz AAOSIDUGLYJSOV-UHFFFAOYSA-N 0 1 416.428 4.385 20 0 HIADMN Cc1cc(Br)cc(Cl)c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000477414657 892368056 /nfs/dbraw/zinc/36/80/56/892368056.db2.gz DMTNKQORZAVVBO-UHFFFAOYSA-N 0 1 410.674 4.399 20 0 HIADMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000477436968 892388304 /nfs/dbraw/zinc/38/83/04/892388304.db2.gz NUOYMFYAAMLHTO-LJQANCHMSA-N 0 1 422.422 4.023 20 0 HIADMN Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000477440798 892391024 /nfs/dbraw/zinc/39/10/24/892391024.db2.gz FPHCVFAWZJTDJZ-UHFFFAOYSA-N 0 1 411.509 4.383 20 0 HIADMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)n[nH]1 ZINC000477560177 892612365 /nfs/dbraw/zinc/61/23/65/892612365.db2.gz DJSWQCMDPBSABR-GFCCVEGCSA-N 0 1 410.522 4.421 20 0 HIADMN CC(C)c1cccc(CNC(=O)C(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000477594844 892670879 /nfs/dbraw/zinc/67/08/79/892670879.db2.gz VYNPIGLTTRORQF-GOSISDBHSA-N 0 1 407.558 4.425 20 0 HIADMN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOC(c1ccccc1)c1ccccc1 ZINC000477626833 892742003 /nfs/dbraw/zinc/74/20/03/892742003.db2.gz MVACQFOIULPLEJ-IBGZPJMESA-N 0 1 424.566 4.133 20 0 HIADMN CCNC(=O)N(C)c1cccc(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)c1 ZINC000477632176 892750720 /nfs/dbraw/zinc/75/07/20/892750720.db2.gz DFNBUZPYQXTZED-IBGZPJMESA-N 0 1 422.573 4.134 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc(F)cc1 ZINC000504959169 913695566 /nfs/dbraw/zinc/69/55/66/913695566.db2.gz IBNZAJQGYPDEKD-MRXNPFEDSA-N 0 1 417.378 4.330 20 0 HIADMN CC[C@H](C)n1nc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1C ZINC000477641560 892765847 /nfs/dbraw/zinc/76/58/47/892765847.db2.gz CSXFVZSRDZJUAV-KBXCAEBGSA-N 0 1 408.468 4.186 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000477652899 892782918 /nfs/dbraw/zinc/78/29/18/892782918.db2.gz QLWGZDYVMMXRAN-ROUUACIJSA-N 0 1 423.536 4.429 20 0 HIADMN O=C(Nc1cc(Cl)cc(Br)c1O)[C@H](O)Cc1c(F)cccc1Cl ZINC000477696524 892814818 /nfs/dbraw/zinc/81/48/18/892814818.db2.gz RKUPQHZEHLEKDO-CYBMUJFWSA-N 0 1 423.065 4.143 20 0 HIADMN COc1cc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c(C)c(OC)c1 ZINC000504965205 913703095 /nfs/dbraw/zinc/70/30/95/913703095.db2.gz JMNGRHZLRMDPAH-UHFFFAOYSA-N 0 1 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C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1)c1nn[nH]n1 ZINC000478603084 893869052 /nfs/dbraw/zinc/86/90/52/893869052.db2.gz PTDFRYDPDHCMJY-NSHDSACASA-N 0 1 406.273 4.175 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1NC(=O)N(C)C ZINC000478698815 893959030 /nfs/dbraw/zinc/95/90/30/893959030.db2.gz VGKYRBCAJSABQV-UHFFFAOYSA-N 0 1 420.293 4.335 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1NC(=O)N(C)C ZINC000478706818 893970176 /nfs/dbraw/zinc/97/01/76/893970176.db2.gz WBINYDZXXHEFKF-UHFFFAOYSA-N 0 1 402.303 4.196 20 0 HIADMN COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CCCCN3C3CC3)s2)c(F)c1 ZINC000505107959 913820858 /nfs/dbraw/zinc/82/08/58/913820858.db2.gz LQTHNBAOVGUDHD-OAHLLOKOSA-N 0 1 403.523 4.013 20 0 HIADMN COC[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccc(Cl)cc1 ZINC000505117639 913825910 /nfs/dbraw/zinc/82/59/10/913825910.db2.gz PJSKSRFWZCLVEW-OAHLLOKOSA-N 0 1 408.683 4.096 20 0 HIADMN CC(C)CN(C(=O)NC[C@@H](c1cccs1)N(C)C)[C@H]1CCCc2cccnc21 ZINC000478854723 894135036 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Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)NCc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000479064377 894327548 /nfs/dbraw/zinc/32/75/48/894327548.db2.gz FDJIIFJYZJUZOS-QZTJIDSGSA-N 0 1 419.591 4.010 20 0 HIADMN COC(=O)c1ccc([C@H](NC(=O)CCc2nc3cccc(C)c3[nH]2)C(F)(F)F)cc1 ZINC000479139001 894407917 /nfs/dbraw/zinc/40/79/17/894407917.db2.gz UKSWOJBBFILTRK-IBGZPJMESA-N 0 1 419.403 4.010 20 0 HIADMN COc1ccc(C2(C(=O)NC[C@H](c3ccco3)N3CCCC3)CC3(CCC3)C2)cc1 ZINC000505181464 913867074 /nfs/dbraw/zinc/86/70/74/913867074.db2.gz FTKKYLCICCIEPO-OAQYLSRUSA-N 0 1 408.542 4.443 20 0 HIADMN CCc1nc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n[nH]1 ZINC000479188288 894456807 /nfs/dbraw/zinc/45/68/07/894456807.db2.gz MNJBEJJOWFCLIF-UHFFFAOYSA-N 0 1 409.519 4.290 20 0 HIADMN CCc1n[nH]c(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1 ZINC000479188288 894456818 /nfs/dbraw/zinc/45/68/18/894456818.db2.gz MNJBEJJOWFCLIF-UHFFFAOYSA-N 0 1 409.519 4.290 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCCCCc3ccc(F)c(F)c3)n2)cc1 ZINC000479239366 894503005 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O=C(CN[C@H]1CCCc2cc(Br)ccc21)Nc1ccc(F)c(F)c1F ZINC000479351804 894648363 /nfs/dbraw/zinc/64/83/63/894648363.db2.gz PQJUZJYMCRCQHR-AWEZNQCLSA-N 0 1 413.237 4.472 20 0 HIADMN COc1cc2c(cc1OC)[C@H](NCc1cccc(C(=O)NCc3ccco3)c1)CC2 ZINC000479362647 894661860 /nfs/dbraw/zinc/66/18/60/894661860.db2.gz SNCZEZRNZRMOSC-OAQYLSRUSA-N 0 1 406.482 4.004 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3CCC[C@@H]3c3cccs3)n2)cc1 ZINC000505223426 913891920 /nfs/dbraw/zinc/89/19/20/913891920.db2.gz GAZKREUYFYFQGU-CZUORRHYSA-N 0 1 414.556 4.386 20 0 HIADMN CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000479417728 894727652 /nfs/dbraw/zinc/72/76/52/894727652.db2.gz FSXQSCFCPCIRIK-HNAYVOBHSA-N 0 1 416.543 4.065 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@@H]2CCCc3cc(Br)ccc32)s1 ZINC000479430508 894744950 /nfs/dbraw/zinc/74/49/50/894744950.db2.gz KSFQVYVNNPVHNO-OAHLLOKOSA-N 0 1 400.363 4.081 20 0 HIADMN COc1ccc(-c2ccncc2)cc1CN[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000479430118 894745681 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4.216 20 0 HIADMN C[C@@H](CCCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000538296021 938585851 /nfs/dbraw/zinc/58/58/51/938585851.db2.gz QYPFVUKYLZHHDN-FQEVSTJZSA-N 0 1 407.558 4.062 20 0 HIADMN CN1CC[C@H](NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)[C@H]1c1ccccc1 ZINC000538308833 938589170 /nfs/dbraw/zinc/58/91/70/938589170.db2.gz DRBZSKRJLBZXIF-DLBZAZTESA-N 0 1 412.383 4.065 20 0 HIADMN COc1cccc2cc([C@@H](C)N[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)oc21 ZINC000538395959 938610701 /nfs/dbraw/zinc/61/07/01/938610701.db2.gz UHEOIKSJMYBEAI-LSDHHAIUSA-N 0 1 402.516 4.104 20 0 HIADMN CC(C)(C)c1n[nH]c(S[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000538447570 938624347 /nfs/dbraw/zinc/62/43/47/938624347.db2.gz AEJSVURNKMPOLE-CQSZACIVSA-N 0 1 412.481 4.404 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)n(C2CCCCC2)n1)N1CCCC1 ZINC000538456525 938626245 /nfs/dbraw/zinc/62/62/45/938626245.db2.gz CAGHRNSQJLUTFS-JOCHJYFZSA-N 0 1 410.562 4.272 20 0 HIADMN COc1ccc([C@H](CNC(=O)c2cc(C)n(C3CCCCC3)n2)N2CCCC2)cc1 ZINC000538456561 938626375 /nfs/dbraw/zinc/62/63/75/938626375.db2.gz DGTTWOOXEXBZGS-QHCPKHFHSA-N 0 1 410.562 4.272 20 0 HIADMN CCc1cc(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)ccc2[nH]1 ZINC000538498629 938636156 /nfs/dbraw/zinc/63/61/56/938636156.db2.gz PHXHATPMJDEKHP-UHFFFAOYSA-N 0 1 414.380 4.049 20 0 HIADMN Cc1nnc(SCCC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000538516410 938639285 /nfs/dbraw/zinc/63/92/85/938639285.db2.gz ZIQQOODJYJXQSS-HOTGVXAUSA-N 0 1 412.481 4.409 20 0 HIADMN Cc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)nn1-c1ccc(C)cc1 ZINC000538531367 938642585 /nfs/dbraw/zinc/64/25/85/938642585.db2.gz IGASCVYZWNHOEZ-UHFFFAOYSA-N 0 1 406.555 4.290 20 0 HIADMN C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000538553820 938647850 /nfs/dbraw/zinc/64/78/50/938647850.db2.gz LLQREWLDRXUOIS-UPULCKDPSA-N 0 1 420.578 4.002 20 0 HIADMN Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)nn1[C@@H](C)C1CC1 ZINC000538621414 938663888 /nfs/dbraw/zinc/66/38/88/938663888.db2.gz ADGHFSFXSXWPEC-NSHDSACASA-N 0 1 404.396 4.219 20 0 HIADMN Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000538634497 938668734 /nfs/dbraw/zinc/66/87/34/938668734.db2.gz JUSAPVJHJXFCPQ-LJQANCHMSA-N 0 1 413.485 4.335 20 0 HIADMN Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000538634497 938668738 /nfs/dbraw/zinc/66/87/38/938668738.db2.gz JUSAPVJHJXFCPQ-LJQANCHMSA-N 0 1 413.485 4.335 20 0 HIADMN Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)cnn1-c1ccccc1 ZINC000538642175 938670561 /nfs/dbraw/zinc/67/05/61/938670561.db2.gz LKMRIHAOLMEDAR-IBGZPJMESA-N 0 1 418.545 4.366 20 0 HIADMN O=C(Cc1cc2ccccc2[nH]c1=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538647490 938672268 /nfs/dbraw/zinc/67/22/68/938672268.db2.gz OCRUTNIXZRNPPJ-GOSISDBHSA-N 0 1 419.529 4.055 20 0 HIADMN CCc1cccc2c(CC(=O)N3CCC[C@H](c4nnc(-c5ccccc5)[nH]4)C3)c[nH]c21 ZINC000538650781 938673107 /nfs/dbraw/zinc/67/31/07/938673107.db2.gz CFZWNUXXSWHCBQ-IBGZPJMESA-N 0 1 413.525 4.464 20 0 HIADMN O=C(CCc1nc2ccccc2s1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538650921 938673135 /nfs/dbraw/zinc/67/31/35/938673135.db2.gz QKHPSRTYJUSKGN-KRWDZBQOSA-N 0 1 417.538 4.420 20 0 HIADMN CSc1nc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c2ccccn12 ZINC000538660482 938676651 /nfs/dbraw/zinc/67/66/51/938676651.db2.gz XHVKOZGBEGDIBF-UHFFFAOYSA-N 0 1 400.467 4.247 20 0 HIADMN COc1ccc(OC)c(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000538662123 938677338 /nfs/dbraw/zinc/67/73/38/938677338.db2.gz KQTPGPLNQCZOKI-INIZCTEOSA-N 0 1 413.522 4.281 20 0 HIADMN COc1ccc(-c2nc(CN3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)no2)cc1 ZINC000538664299 938678311 /nfs/dbraw/zinc/67/83/11/938678311.db2.gz NPJWBKTXHRRDLB-SFHVURJKSA-N 0 1 422.533 4.291 20 0 HIADMN COc1ccc(-c2nc(CN3CCC[C@H](c4n[nH]c(C5CCCCC5)n4)C3)no2)cc1 ZINC000538664299 938678312 /nfs/dbraw/zinc/67/83/12/938678312.db2.gz NPJWBKTXHRRDLB-SFHVURJKSA-N 0 1 422.533 4.291 20 0 HIADMN C[S@@](=O)c1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000538663485 938678317 /nfs/dbraw/zinc/67/83/17/938678317.db2.gz XOUCXJJODUKBRD-HYDGNGQDSA-N 0 1 415.563 4.001 20 0 HIADMN CCn1c(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)nc2cc(F)ccc21 ZINC000538664836 938678857 /nfs/dbraw/zinc/67/88/57/938678857.db2.gz SHBYTQKDGKEUHF-QGZVFWFLSA-N 0 1 404.493 4.360 20 0 HIADMN O=C(Nc1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538664777 938679072 /nfs/dbraw/zinc/67/90/72/938679072.db2.gz AZDVTRZAZFHNCE-GOSISDBHSA-N 0 1 419.533 4.450 20 0 HIADMN CC(C)(C)c1nnc(NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)s1 ZINC000538665835 938679524 /nfs/dbraw/zinc/67/95/24/938679524.db2.gz LPGOIIFWRNKTRY-AWEZNQCLSA-N 0 1 411.535 4.032 20 0 HIADMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)N1CCC[C@@H]1C1CCOCC1 ZINC000538667706 938680583 /nfs/dbraw/zinc/68/05/83/938680583.db2.gz BRMUTXTVELJTMP-NHCUHLMSSA-N 0 1 405.970 4.078 20 0 HIADMN CC(C)[C@@H]1C[C@H](N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CCO1 ZINC000538712579 938687964 /nfs/dbraw/zinc/68/79/64/938687964.db2.gz IFCRHIKBZCGTAS-VOQZNFBZSA-N 0 1 423.525 4.251 20 0 HIADMN COc1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc2c1OCO2 ZINC000538723115 938691337 /nfs/dbraw/zinc/69/13/37/938691337.db2.gz KIJRFNAUHNHBPQ-LBPRGKRZSA-N 0 1 400.422 4.279 20 0 HIADMN O=C(c1c(F)cc(F)cc1F)C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000538728024 938693759 /nfs/dbraw/zinc/69/37/59/938693759.db2.gz OSSZYZMRVOJWAW-UHFFFAOYSA-N 0 1 400.400 4.453 20 0 HIADMN CCCc1nc2ccccc2n1CCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000538742427 938699119 /nfs/dbraw/zinc/69/91/19/938699119.db2.gz OJSWBQMQVUBEKY-UHFFFAOYSA-N 0 1 422.548 4.299 20 0 HIADMN C[C@@H](N(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)C(C)(C)C ZINC000538744915 938699600 /nfs/dbraw/zinc/69/96/00/938699600.db2.gz BLWHOVLKMVSUGC-CYBMUJFWSA-N 0 1 424.950 4.353 20 0 HIADMN Cc1n[nH]c(CCNC(=O)c2c3c(nc4ccccc42)C(=Cc2ccccc2)CC3)n1 ZINC000538745410 938700065 /nfs/dbraw/zinc/70/00/65/938700065.db2.gz RNVUQACVKAFARV-SDXDJHTJSA-N 0 1 409.493 4.121 20 0 HIADMN C[C@H]1CC(C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000538746743 938700199 /nfs/dbraw/zinc/70/01/99/938700199.db2.gz XQRWZFSLMUJRGN-SFTDATJTSA-N 0 1 421.585 4.147 20 0 HIADMN CC1(C)CC[C@H](CNC(=O)NC2CCN(Cc3ccccn3)CC2)c2ccccc21 ZINC000538776012 938707460 /nfs/dbraw/zinc/70/74/60/938707460.db2.gz XLRHOJSOXCSRAP-LJQANCHMSA-N 0 1 406.574 4.200 20 0 HIADMN Cc1ccc(CNC(=O)C2CCN(CCOc3ccc(F)cc3Cl)CC2)cc1 ZINC000538781068 938708731 /nfs/dbraw/zinc/70/87/31/938708731.db2.gz FRGBHXYSHCTSRK-UHFFFAOYSA-N 0 1 404.913 4.195 20 0 HIADMN Cc1cc(C(=O)CN2CCC[C@H]2Cn2cnc3ccccc32)c(C)n1CC(F)(F)F ZINC000538783722 938709766 /nfs/dbraw/zinc/70/97/66/938709766.db2.gz FRHQORRREKPQTE-KRWDZBQOSA-N 0 1 418.463 4.364 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc2nccnc2c1 ZINC000538790623 938712556 /nfs/dbraw/zinc/71/25/56/938712556.db2.gz LVMJPZDDAQXBEN-UHFFFAOYSA-N 0 1 407.302 4.413 20 0 HIADMN Cc1[nH]nc2cc(NC(=O)c3cccc(S(=O)(=O)Cc4ccccc4)c3)ccc12 ZINC000538809012 938718246 /nfs/dbraw/zinc/71/82/46/938718246.db2.gz IKVSUGTVAZFVRZ-UHFFFAOYSA-N 0 1 405.479 4.098 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cccc(-c2nc[nH]n2)c1 ZINC000538819712 938720122 /nfs/dbraw/zinc/72/01/22/938720122.db2.gz PGEDNPKYTDBXGB-UHFFFAOYSA-N 0 1 422.317 4.254 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CCc4c(ncn4CCc4ccccc4)C3)n[nH]2)cc1 ZINC000538831194 938721788 /nfs/dbraw/zinc/72/17/88/938721788.db2.gz MGTTZNSIPAMPBB-UHFFFAOYSA-N 0 1 411.509 4.023 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NCc2cccc3c2OCCCO3)c1 ZINC000538834727 938722641 /nfs/dbraw/zinc/72/26/41/938722641.db2.gz PHXVEARKFWVVPY-UHFFFAOYSA-N 0 1 409.530 4.275 20 0 HIADMN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000538899140 938733147 /nfs/dbraw/zinc/73/31/47/938733147.db2.gz VLPIIVMXWQQMRA-UHFFFAOYSA-N 0 1 409.446 4.207 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC(Cc2cccnc2)CC1 ZINC000538946654 938744448 /nfs/dbraw/zinc/74/44/48/938744448.db2.gz TYHIMHCDQLNFMV-HNNXBMFYSA-N 0 1 407.436 4.262 20 0 HIADMN O=C([C@@H]1CC12CCN(CCOc1ccc(Cl)cc1Cl)CC2)N1CCCCC1 ZINC000538950622 938746265 /nfs/dbraw/zinc/74/62/65/938746265.db2.gz WGFCQMTXQHXIKN-KRWDZBQOSA-N 0 1 411.373 4.487 20 0 HIADMN COc1cccc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)c1OC(F)F ZINC000563483037 945200587 /nfs/dbraw/zinc/20/05/87/945200587.db2.gz QLQRLKOWKWKWOB-ZDUSSCGKSA-N 0 1 419.394 4.429 20 0 HIADMN CC(=O)N(c1nc(CN2CCN(C)[C@H](C)[C@H]2C)cs1)c1c(C)cc(C)cc1C ZINC000538954936 938748017 /nfs/dbraw/zinc/74/80/17/938748017.db2.gz YACAIMJFUPCDDE-QZTJIDSGSA-N 0 1 400.592 4.277 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cnoc1-c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000538967918 938754417 /nfs/dbraw/zinc/75/44/17/938754417.db2.gz COSHJRRTIQCKNN-GOSISDBHSA-N 0 1 405.832 4.306 20 0 HIADMN CCc1ccc(C2=CCN(C(=O)NC3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000538976010 938756827 /nfs/dbraw/zinc/75/68/27/938756827.db2.gz LVJLYAWSGIHRBZ-UHFFFAOYSA-N 0 1 404.558 4.107 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000538980458 938758088 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416.354 4.142 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)NC1(CCO)CCCCC1 ZINC000539013345 938768718 /nfs/dbraw/zinc/76/87/18/938768718.db2.gz UARRXXIBYCSVFC-UHFFFAOYSA-N 0 1 420.382 4.424 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000539014638 938769237 /nfs/dbraw/zinc/76/92/37/938769237.db2.gz GFADOBMMBSVZJO-MNOVXSKESA-N 0 1 418.366 4.107 20 0 HIADMN CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000539021764 938771477 /nfs/dbraw/zinc/77/14/77/938771477.db2.gz FDCAHGWEWFZZSN-QFBILLFUSA-N 0 1 416.543 4.208 20 0 HIADMN CCN(CC)[C@H](C(=O)N[C@H]1CCO[C@H](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000539022981 938771887 /nfs/dbraw/zinc/77/18/87/938771887.db2.gz GAFXUJGVLCKYEA-FHWLQOOXSA-N 0 1 400.485 4.408 20 0 HIADMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4ccc(Cl)cc4Cl)n3)n2)o1 ZINC000539032213 938774718 /nfs/dbraw/zinc/77/47/18/938774718.db2.gz AYIVPBMZFBHYKW-UHFFFAOYSA-N 0 1 403.229 4.118 20 0 HIADMN 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Cc1ccc(C(=O)CCC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000541546787 939550548 /nfs/dbraw/zinc/55/05/48/939550548.db2.gz UHXMRLVDKJJZLW-IBGZPJMESA-N 0 1 416.403 4.001 20 0 HIADMN COc1ccccc1[C@@H](C)CC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000541547474 939550732 /nfs/dbraw/zinc/55/07/32/939550732.db2.gz XRGDXQKONIYTCR-DJJJIMSYSA-N 0 1 418.419 4.232 20 0 HIADMN COC(=O)COc1ccccc1[C@H](C)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000541549750 939552127 /nfs/dbraw/zinc/55/21/27/939552127.db2.gz RETHIZFUJMVZEX-JKSUJKDBSA-N 0 1 411.477 4.283 20 0 HIADMN Fc1ccc([C@H](CN[C@H](c2ccc(F)cc2)c2ccccn2)N2CCOCC2)cc1 ZINC000541550533 939552611 /nfs/dbraw/zinc/55/26/11/939552611.db2.gz VZDZHPQLUGINRQ-BJKOFHAPSA-N 0 1 409.480 4.112 20 0 HIADMN COc1ccc(C(=O)C[C@H](C)C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000541573972 939558546 /nfs/dbraw/zinc/55/85/46/939558546.db2.gz HUMCONBOEJWIDE-NRFANRHFSA-N 0 1 422.569 4.071 20 0 HIADMN OCC[C@H](NCc1ncc(Br)cc1Br)C1CCCCC1 ZINC000541586029 939561085 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COc1ccccc1NC(=O)C[C@H](C)NCc1cc(F)c(F)cc1Br ZINC000556923474 942967180 /nfs/dbraw/zinc/96/71/80/942967180.db2.gz JSASLLCDQCUFQO-NSHDSACASA-N 0 1 413.262 4.243 20 0 HIADMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000556957519 942979144 /nfs/dbraw/zinc/97/91/44/942979144.db2.gz WAEDXXORRFDDPF-DEOSSOPVSA-N 0 1 406.505 4.388 20 0 HIADMN COCCOc1cccc(CNc2cccc(NC(=O)CN3CCCCCC3)c2)c1 ZINC000557041651 943002519 /nfs/dbraw/zinc/00/25/19/943002519.db2.gz HDFFBORLSOVFMP-UHFFFAOYSA-N 0 1 411.546 4.138 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)n[nH]1 ZINC000557079833 943014803 /nfs/dbraw/zinc/01/48/03/943014803.db2.gz MXZFLNYJLHNCHI-OAQYLSRUSA-N 0 1 413.472 4.129 20 0 HIADMN CCC(CC)[C@H](NC(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1 ZINC000557106842 943021535 /nfs/dbraw/zinc/02/15/35/943021535.db2.gz ROITYIJQEHHKEY-QHCPKHFHSA-N 0 1 401.595 4.308 20 0 HIADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3-c3nnc[nH]3)c12 ZINC000557104965 943021769 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C[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000438091942 863493630 /nfs/dbraw/zinc/49/36/30/863493630.db2.gz HGPIHTXXPWTYBA-OXJNMPFZSA-N 0 1 417.513 4.114 20 0 HIADMN CC(C)CCN(C(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C1CC1 ZINC000438096075 863502696 /nfs/dbraw/zinc/50/26/96/863502696.db2.gz OERDNERGSZGLOR-UHFFFAOYSA-N 0 1 417.513 4.114 20 0 HIADMN CC(C)CCN(C(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C1CC1 ZINC000438096075 863502751 /nfs/dbraw/zinc/50/27/51/863502751.db2.gz OERDNERGSZGLOR-UHFFFAOYSA-N 0 1 417.513 4.114 20 0 HIADMN COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000438203755 863634292 /nfs/dbraw/zinc/63/42/92/863634292.db2.gz QQLJQOOXYSIBDT-UHFFFAOYSA-N 0 1 417.469 4.480 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(OC)ccc1Cl ZINC000438215891 863647872 /nfs/dbraw/zinc/64/78/72/863647872.db2.gz MZFBPWUEBHXFIC-UHFFFAOYSA-N 0 1 418.925 4.143 20 0 HIADMN CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1OC(F)F ZINC000467842236 881683652 /nfs/dbraw/zinc/68/36/52/881683652.db2.gz XNSGJCHWDSDLMO-KBXCAEBGSA-N 0 1 412.502 4.340 20 0 HIADMN CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000438269599 863737714 /nfs/dbraw/zinc/73/77/14/863737714.db2.gz KUBXZBHTUSVOJE-MRXNPFEDSA-N 0 1 411.999 4.417 20 0 HIADMN COc1cc(CN2CC[C@@H](O)C(C)(C)C2)ccc1OCCOc1ccccc1Cl ZINC000438344158 863814762 /nfs/dbraw/zinc/81/47/62/863814762.db2.gz WZIYZLBOMCMCGX-JOCHJYFZSA-N 0 1 419.949 4.399 20 0 HIADMN Cc1ccc(C(=O)CCC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)s1 ZINC000438423128 863859467 /nfs/dbraw/zinc/85/94/67/863859467.db2.gz CWIDJEXCFRSMJC-QGZVFWFLSA-N 0 1 422.432 4.062 20 0 HIADMN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438429299 863861489 /nfs/dbraw/zinc/86/14/89/863861489.db2.gz ATWKIURZEGEBCY-KFWWJZLASA-N 0 1 406.433 4.203 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@@H]1CCCc2ccccc21 ZINC000438429663 863861624 /nfs/dbraw/zinc/86/16/24/863861624.db2.gz BQYXVMYCMDQIBM-QZTJIDSGSA-N 0 1 400.404 4.149 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1 ZINC000438430570 863862248 /nfs/dbraw/zinc/86/22/48/863862248.db2.gz FXSGLLALCLLRRF-OAHLLOKOSA-N 0 1 419.388 4.059 20 0 HIADMN Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438445233 863870260 /nfs/dbraw/zinc/87/02/60/863870260.db2.gz RNGXUZDTKSJYNC-CYBMUJFWSA-N 0 1 423.464 4.405 20 0 HIADMN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438451162 863876071 /nfs/dbraw/zinc/87/60/71/863876071.db2.gz HKISMTHMGAJJMN-RPVQJOFSSA-N 0 1 410.440 4.015 20 0 HIADMN COc1cccc(-c2ccc(CN[C@H](C)c3cccc(S(=O)(=O)N(C)C)c3)cc2)c1 ZINC000467854465 881704741 /nfs/dbraw/zinc/70/47/41/881704741.db2.gz VJCDTSASMGLDDJ-GOSISDBHSA-N 0 1 424.566 4.463 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCCC(C)(C)C2)c1 ZINC000438503436 863923123 /nfs/dbraw/zinc/92/31/23/863923123.db2.gz RKYFIEISGQGAGL-UHFFFAOYSA-N 0 1 416.543 4.148 20 0 HIADMN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(CN2CCSCC2)cc1 ZINC000438525912 863949991 /nfs/dbraw/zinc/94/99/91/863949991.db2.gz GEGCLZBXYBCZKH-FUHWJXTLSA-N 0 1 400.510 4.334 20 0 HIADMN COc1cc(NC(=O)CN2CCC[C@]3(CCCc4ccccc43)C2)cc(OC)c1OC ZINC000438546001 863973572 /nfs/dbraw/zinc/97/35/72/863973572.db2.gz LOUGIKYHKSGKRO-RUZDIDTESA-N 0 1 424.541 4.021 20 0 HIADMN COCCO[C@@H]1CCN(Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1 ZINC000438552331 863982486 /nfs/dbraw/zinc/98/24/86/863982486.db2.gz OGJRTCIUQGXWRQ-HXUWFJFHSA-N 0 1 405.922 4.165 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000438552013 863982557 /nfs/dbraw/zinc/98/25/57/863982557.db2.gz GJVRLNQMLGSXIP-LJQANCHMSA-N 0 1 414.546 4.357 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@@H](C)C(=O)Nc2ccc(C)cc2C)c1 ZINC000438553395 863984469 /nfs/dbraw/zinc/98/44/69/863984469.db2.gz QWHSWGGCBIVHQS-SFHVURJKSA-N 0 1 400.519 4.049 20 0 HIADMN COc1ccc(-c2csc(NC(=O)[C@H]3CCCN3C3CCCC3)n2)cc1OC ZINC000438579655 864011713 /nfs/dbraw/zinc/01/17/13/864011713.db2.gz LEWSOOZPVNTBCQ-QGZVFWFLSA-N 0 1 401.532 4.173 20 0 HIADMN COc1cccc([C@H](CNC(=O)Nc2ccc(Br)c(F)c2)N(C)C)c1 ZINC000438625519 864052968 /nfs/dbraw/zinc/05/29/68/864052968.db2.gz IJNNAAABGMVXMJ-KRWDZBQOSA-N 0 1 410.287 4.021 20 0 HIADMN O=C(Nc1c(F)cc(Br)cc1F)N1CCCN(Cc2ccccc2)CC1 ZINC000438635222 864067077 /nfs/dbraw/zinc/06/70/77/864067077.db2.gz SWILOBLAFOVTHS-UHFFFAOYSA-N 0 1 424.289 4.467 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1c(C)cc(C)cc1C ZINC000438653670 864096695 /nfs/dbraw/zinc/09/66/95/864096695.db2.gz YGVBRRCOYWIGMI-UHFFFAOYSA-N 0 1 410.562 4.084 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(CC1CCCCC1)C1CC1 ZINC000438659250 864106724 /nfs/dbraw/zinc/10/67/24/864106724.db2.gz YHTYWOBHNRPGGO-UHFFFAOYSA-N 0 1 414.594 4.414 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000438660679 864108619 /nfs/dbraw/zinc/10/86/19/864108619.db2.gz KOVVZJPCBSRTJX-QFIPXVFZSA-N 0 1 422.573 4.076 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000438668692 864126981 /nfs/dbraw/zinc/12/69/81/864126981.db2.gz ONZFBXKLHPGZDP-IBGZPJMESA-N 0 1 402.583 4.127 20 0 HIADMN CC[C@@H](C)[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1ccccc1 ZINC000438677702 864138732 /nfs/dbraw/zinc/13/87/32/864138732.db2.gz YLSHSFADMGUEGQ-UZLBHIALSA-N 0 1 424.526 4.046 20 0 HIADMN CC(C)[C@@H](CC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1ccccc1 ZINC000438678186 864138947 /nfs/dbraw/zinc/13/89/47/864138947.db2.gz ZXNZCPCGJDLKLJ-HXUWFJFHSA-N 0 1 424.526 4.046 20 0 HIADMN O=S(=O)(Nc1ccccc1OCC1CC1)c1ccc(Br)c(F)c1 ZINC000438769489 864263737 /nfs/dbraw/zinc/26/37/37/864263737.db2.gz HDNUAIORORNJAF-UHFFFAOYSA-N 0 1 400.269 4.178 20 0 HIADMN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3cccc4c3OCCO4)cc2s1 ZINC000438769510 864264003 /nfs/dbraw/zinc/26/40/03/864264003.db2.gz FRGGIXGPMAAHAQ-UHFFFAOYSA-N 0 1 404.513 4.166 20 0 HIADMN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cccc(F)c2C)cn1 ZINC000438809084 864299968 /nfs/dbraw/zinc/29/99/68/864299968.db2.gz VYMNABWXJYVDHA-UHFFFAOYSA-N 0 1 402.447 4.439 20 0 HIADMN C[C@@H]1CCCN1C(=O)CCN1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000438825282 864318996 /nfs/dbraw/zinc/31/89/96/864318996.db2.gz BNYWCBJCCCDDCK-GOSISDBHSA-N 0 1 415.578 4.073 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCOc2cccc3ccccc32)CC1 ZINC000438836085 864328941 /nfs/dbraw/zinc/32/89/41/864328941.db2.gz FATPXHMEMFXDMU-IBGZPJMESA-N 0 1 418.541 4.138 20 0 HIADMN COc1ccc(NC(=O)[C@H](N[C@@H]2C[C@H]3OCCC[C@@H]23)c2ccccc2)cc1Cl ZINC000438834994 864329715 /nfs/dbraw/zinc/32/97/15/864329715.db2.gz BNBQYRJWYZYBFU-RCVZYCBYSA-N 0 1 400.906 4.186 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000438837131 864330396 /nfs/dbraw/zinc/33/03/96/864330396.db2.gz IERXRLUAAHIUJO-QGZVFWFLSA-N 0 1 412.965 4.291 20 0 HIADMN CC(C)Oc1ccc([C@H](C)NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000438838530 864333186 /nfs/dbraw/zinc/33/31/86/864333186.db2.gz KRWUEULYVZZYON-RBUKOAKNSA-N 0 1 410.562 4.455 20 0 HIADMN CC(C)c1ccc(OCCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438841482 864335603 /nfs/dbraw/zinc/33/56/03/864335603.db2.gz PQLSFKZYZJCMMB-IBGZPJMESA-N 0 1 410.562 4.109 20 0 HIADMN C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1cccc(N2CCCC2)c1 ZINC000438843316 864337272 /nfs/dbraw/zinc/33/72/72/864337272.db2.gz SEMQNLRZSGRXIO-WOJBJXKFSA-N 0 1 421.589 4.268 20 0 HIADMN C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ncc(-c2ccccc2)o1 ZINC000438843962 864338907 /nfs/dbraw/zinc/33/89/07/864338907.db2.gz URSPZASQKSHHFL-QZTJIDSGSA-N 0 1 419.529 4.322 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2(c3cccc(Cl)c3)CC2)CC1 ZINC000438844354 864339179 /nfs/dbraw/zinc/33/91/79/864339179.db2.gz XUUPPBVHCLPEKZ-KRWDZBQOSA-N 0 1 412.965 4.291 20 0 HIADMN CCOCc1ccc(NC(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000438852667 864346862 /nfs/dbraw/zinc/34/68/62/864346862.db2.gz NNTVYEVAFFBCGI-RTBURBONSA-N 0 1 411.546 4.154 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000438863915 864356053 /nfs/dbraw/zinc/35/60/53/864356053.db2.gz XFMHPIUPNBBCOY-TZIWHRDSSA-N 0 1 419.997 4.010 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(-c3ccccc3)o2)CC1 ZINC000438864205 864357635 /nfs/dbraw/zinc/35/76/35/864357635.db2.gz OFYCYJBVIBJBJN-GOSISDBHSA-N 0 1 404.514 4.366 20 0 HIADMN CC[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)Oc1cccc(C)c1 ZINC000438869256 864362085 /nfs/dbraw/zinc/36/20/85/864362085.db2.gz YSIKYLDQBMQFJC-UGKGYDQZSA-N 0 1 410.562 4.072 20 0 HIADMN C[C@@H](Sc1ccccc1)c1ccc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000438868807 864362203 /nfs/dbraw/zinc/36/22/03/864362203.db2.gz XCZBVNVOVSSKBL-GOSISDBHSA-N 0 1 413.587 4.460 20 0 HIADMN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000438897549 864379094 /nfs/dbraw/zinc/37/90/94/864379094.db2.gz VVRHHAKIIYFQRJ-NRFANRHFSA-N 0 1 402.523 4.364 20 0 HIADMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000438923926 864403011 /nfs/dbraw/zinc/40/30/11/864403011.db2.gz 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COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](CSc3ccccc3)C2)cc1OC ZINC000464762300 878002902 /nfs/dbraw/zinc/00/29/02/878002902.db2.gz JWBFUUFEZPVETO-DLBZAZTESA-N 0 1 400.544 4.145 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](CSc3ccccc3)C2)cc1OC ZINC000464762302 878005456 /nfs/dbraw/zinc/00/54/56/878005456.db2.gz JWBFUUFEZPVETO-IAGOWNOFSA-N 0 1 400.544 4.145 20 0 HIADMN CCS[C@@H]1CC[C@H](N(C)CC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)C1 ZINC000464777900 878022061 /nfs/dbraw/zinc/02/20/61/878022061.db2.gz SDAATFKKINJADW-LSDHHAIUSA-N 0 1 417.497 4.208 20 0 HIADMN COc1cc(NC(=O)CN2CCCC[C@@H]2c2cccc(C)c2C)cc(OC)c1OC ZINC000464780934 878024475 /nfs/dbraw/zinc/02/44/75/878024475.db2.gz UJPRLFFIHCPDHY-HXUWFJFHSA-N 0 1 412.530 4.495 20 0 HIADMN C[C@@H]1CN(CCC(=O)Nc2cccc(Br)c2)[C@@H](c2ccccc2)CO1 ZINC000464831314 878087275 /nfs/dbraw/zinc/08/72/75/878087275.db2.gz NNCGUTXZBSHUOZ-DNVCBOLYSA-N 0 1 403.320 4.240 20 0 HIADMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464835147 878095541 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407.543 4.018 20 0 HIADMN C[C@H]1CCN(C(=O)CCC(=O)c2ccc(F)cc2F)CCN1Cc1ccccc1 ZINC000464897483 878203904 /nfs/dbraw/zinc/20/39/04/878203904.db2.gz WECQQROEOAKQHF-KRWDZBQOSA-N 0 1 400.469 4.051 20 0 HIADMN C[C@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CCN1Cc1ccccc1 ZINC000464902165 878212947 /nfs/dbraw/zinc/21/29/47/878212947.db2.gz IWDNTZIISSHBHV-INIZCTEOSA-N 0 1 422.495 4.394 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sc(CC(C)C)nc1C ZINC000464937021 878268060 /nfs/dbraw/zinc/26/80/60/878268060.db2.gz PVJMNOIKQJJPAT-UHFFFAOYSA-N 0 1 416.591 4.053 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000464942663 878277080 /nfs/dbraw/zinc/27/70/80/878277080.db2.gz XHMFGYVUQOULTC-UHFFFAOYSA-N 0 1 419.978 4.221 20 0 HIADMN Cc1ccc(NC(=O)[C@H](NCCCO[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000464979175 878324365 /nfs/dbraw/zinc/32/43/65/878324365.db2.gz HUUXDRCJEKRSRM-PZJWPPBQSA-N 0 1 402.922 4.113 20 0 HIADMN CCc1cccc2c(C(=O)[C@@H](NCCCO[C@H]3CCOC3)c3ccccc3)c[nH]c21 ZINC000464986380 878335238 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0 HIADMN Cc1ccc2nc(CNC(=O)CCc3nc4ccccc4n3-c3ccccc3)[nH]c2c1 ZINC000465181446 878570559 /nfs/dbraw/zinc/57/05/59/878570559.db2.gz CYCSVOKBQANICO-UHFFFAOYSA-N 0 1 409.493 4.459 20 0 HIADMN Cc1ccc2nc(CNC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000465187709 878579797 /nfs/dbraw/zinc/57/97/97/878579797.db2.gz SNBAYJQKOAYHKS-NRFANRHFSA-N 0 1 412.493 4.049 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3cnn(-c4ccccc4C)c3C(F)(F)F)[nH]c2c1 ZINC000465187907 878580303 /nfs/dbraw/zinc/58/03/03/878580303.db2.gz SIDVSDCUPRYNBX-UHFFFAOYSA-N 0 1 413.403 4.314 20 0 HIADMN Cc1ccc2nc(CNC(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)[nH]c2c1 ZINC000465192458 878589657 /nfs/dbraw/zinc/58/96/57/878589657.db2.gz HRIPYLZMBKXZCX-UHFFFAOYSA-N 0 1 414.494 4.111 20 0 HIADMN Cc1ccc2nc(CNC(=O)[C@H](Oc3ccccc3Br)C(C)C)[nH]c2c1 ZINC000465193728 878592597 /nfs/dbraw/zinc/59/25/97/878592597.db2.gz JHRSPUPAPXTNFS-LJQANCHMSA-N 0 1 416.319 4.354 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NCCCC3CCCC3)CC2)c1C ZINC000503398442 912379092 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0 HIADMN COc1cccc([C@@H](CNC(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)N(C)C)c1 ZINC000465434898 878866410 /nfs/dbraw/zinc/86/64/10/878866410.db2.gz RWGCMILMLINGKG-DHIUTWEWSA-N 0 1 415.553 4.346 20 0 HIADMN CC[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1nc(C(F)(F)F)cs1 ZINC000465435763 878867881 /nfs/dbraw/zinc/86/78/81/878867881.db2.gz TVARUISEEBUJTC-KBPBESRZSA-N 0 1 418.460 4.354 20 0 HIADMN CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503410836 912392856 /nfs/dbraw/zinc/39/28/56/912392856.db2.gz NCPKOGLPCCFRAW-OAQYLSRUSA-N 0 1 408.590 4.226 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)NC[C@@H]3CCC[C@H](C)C3)CC2)c1C ZINC000503417097 912404158 /nfs/dbraw/zinc/40/41/58/912404158.db2.gz YJRHEILAIJQCBJ-FXAWDEMLSA-N 0 1 416.610 4.139 20 0 HIADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCC(C(F)(F)F)CC1 ZINC000465529499 878984442 /nfs/dbraw/zinc/98/44/42/878984442.db2.gz QTVMQNHNLLGCFO-KRWDZBQOSA-N 0 1 403.876 4.461 20 0 HIADMN CN(C)[C@@H](CNC(=O)N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccsc1 ZINC000465531341 878986575 /nfs/dbraw/zinc/98/65/75/878986575.db2.gz AVJLOSYZULAZHV-KBPBESRZSA-N 0 1 400.331 4.091 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)N1CCC(OCC2CC2)CC1 ZINC000465551544 879016483 /nfs/dbraw/zinc/01/64/83/879016483.db2.gz XXPHNQOBAVDGDE-OAQYLSRUSA-N 0 1 405.970 4.078 20 0 HIADMN CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000465555773 879023073 /nfs/dbraw/zinc/02/30/73/879023073.db2.gz LZJIENDXSKFOAJ-DNRQZRRGSA-N 0 1 423.601 4.459 20 0 HIADMN C[C@H]1CN(C(=O)NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)[C@@H]1c1ccccc1 ZINC000465558379 879030002 /nfs/dbraw/zinc/03/00/02/879030002.db2.gz PBWFRBSLWRHIDZ-SMOZNVCYSA-N 0 1 407.558 4.198 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)N[C@H](C)c3ccc(C)cc3)CC2)c1C ZINC000503423044 912415831 /nfs/dbraw/zinc/41/58/31/912415831.db2.gz FQZMYDRFLLCNPA-HXUWFJFHSA-N 0 1 424.589 4.382 20 0 HIADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(C(C)(C)C)no1 ZINC000465603208 879094837 /nfs/dbraw/zinc/09/48/37/879094837.db2.gz 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420.600 4.052 20 0 HIADMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NCc2cccc(S(=O)(=O)CC)c2)cc1 ZINC000467412764 881198888 /nfs/dbraw/zinc/19/88/88/881198888.db2.gz UHRFBDRQQZPZNH-QGZVFWFLSA-N 0 1 417.575 4.205 20 0 HIADMN Clc1ccc(N2CCOCC2)c(CN[C@@H](Cc2ccccn2)c2cccnc2)c1 ZINC000467412342 881199729 /nfs/dbraw/zinc/19/97/29/881199729.db2.gz RTBYFHRNPNUHKL-QFIPXVFZSA-N 0 1 408.933 4.040 20 0 HIADMN CCS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000467412900 881199973 /nfs/dbraw/zinc/19/99/73/881199973.db2.gz KORDKGSKTSSLPK-CQSZACIVSA-N 0 1 401.450 4.272 20 0 HIADMN C[C@@H](NCc1ccncc1OCC(F)(F)F)c1ccc(OCc2nccn2C)cc1 ZINC000467429403 881222426 /nfs/dbraw/zinc/22/24/26/881222426.db2.gz KZGZGWFVOYWBAR-OAHLLOKOSA-N 0 1 420.435 4.186 20 0 HIADMN Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000467440325 881239459 /nfs/dbraw/zinc/23/94/59/881239459.db2.gz RKBXVKKDTJAUAU-UHFFFAOYSA-N 0 1 403.331 4.043 20 0 HIADMN CCc1ccc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1F ZINC000467446714 881249682 /nfs/dbraw/zinc/24/96/82/881249682.db2.gz FQGHNASNHLDBCK-MRXNPFEDSA-N 0 1 407.371 4.436 20 0 HIADMN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000467462039 881272609 /nfs/dbraw/zinc/27/26/09/881272609.db2.gz ZTHXVYZOYAKYMQ-JOCHJYFZSA-N 0 1 411.465 4.318 20 0 HIADMN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000467463836 881273891 /nfs/dbraw/zinc/27/38/91/881273891.db2.gz ITLLQXHGIVLTLF-GOSISDBHSA-N 0 1 412.881 4.108 20 0 HIADMN Cc1c2cc(Br)ccc2oc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000467465189 881278177 /nfs/dbraw/zinc/27/81/77/881278177.db2.gz REAZCNXGHRDMPF-UHFFFAOYSA-N 0 1 416.250 4.492 20 0 HIADMN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000467469445 881285999 /nfs/dbraw/zinc/28/59/99/881285999.db2.gz WQHYVJGVPFUGTE-INIZCTEOSA-N 0 1 403.457 4.495 20 0 HIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000467471877 881289912 /nfs/dbraw/zinc/28/99/12/881289912.db2.gz DKKKAFBCWVEBON-UHFFFAOYSA-N 0 1 405.404 4.045 20 0 HIADMN O=C(Nc1ccccc1-c1nnc[nH]1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000467475158 881294184 /nfs/dbraw/zinc/29/41/84/881294184.db2.gz XETDLYYERZRIGY-UZLBHIALSA-N 0 1 409.287 4.077 20 0 HIADMN CCOc1ccc(Nc2ncccc2C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1 ZINC000467478110 881298794 /nfs/dbraw/zinc/29/87/94/881298794.db2.gz SWSCOEZKFWMOJE-UHFFFAOYSA-N 0 1 419.460 4.212 20 0 HIADMN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3nc4ccc(F)cc4[nH]3)c12 ZINC000467491461 881309153 /nfs/dbraw/zinc/30/91/53/881309153.db2.gz HXGHHEUAMJQXQI-UHFFFAOYSA-N 0 1 419.391 4.283 20 0 HIADMN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000467494320 881311246 /nfs/dbraw/zinc/31/12/46/881311246.db2.gz POGRJTMZJZDVFZ-UHFFFAOYSA-N 0 1 418.432 4.218 20 0 HIADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@@H](C)CC[C@@H]3C)ccc2OC)cc1 ZINC000467500318 881316308 /nfs/dbraw/zinc/31/63/08/881316308.db2.gz CVNSDWVSLPYMJL-HOTGVXAUSA-N 0 1 416.543 4.071 20 0 HIADMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000467512708 881327684 /nfs/dbraw/zinc/32/76/84/881327684.db2.gz LJDGFQSRCVIMIW-LLVKDONJSA-N 0 1 408.321 4.329 20 0 HIADMN COC(=O)C[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000467516040 881331122 /nfs/dbraw/zinc/33/11/22/881331122.db2.gz DSTKOJQUXIBOJL-NSHDSACASA-N 0 1 416.275 4.130 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Br)cc2OC)cc1 ZINC000469073533 883156851 /nfs/dbraw/zinc/15/68/51/883156851.db2.gz TZSVXJCWDBWVIC-CHWSQXEVSA-N 0 1 407.308 4.144 20 0 HIADMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Br)cc2OC)cc1 ZINC000469074300 883158911 /nfs/dbraw/zinc/15/89/11/883158911.db2.gz TZSVXJCWDBWVIC-QWHCGFSZSA-N 0 1 407.308 4.144 20 0 HIADMN COC(=O)CCCOc1ccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000469097524 883187664 /nfs/dbraw/zinc/18/76/64/883187664.db2.gz ZWXQRVRSLFYPLI-JOCHJYFZSA-N 0 1 410.514 4.012 20 0 HIADMN NC(=O)c1cccc(OCCC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1 ZINC000469131090 883226849 /nfs/dbraw/zinc/22/68/49/883226849.db2.gz YNXRFAJCPZANNQ-UHFFFAOYSA-N 0 1 406.486 4.117 20 0 HIADMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000469136038 883230947 /nfs/dbraw/zinc/23/09/47/883230947.db2.gz VOGDPXKKCMZADU-XMMPIXPASA-N 0 1 401.510 4.007 20 0 HIADMN C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469152236 883249067 /nfs/dbraw/zinc/24/90/67/883249067.db2.gz ZALWHYJJWYPYQL-HSZRJFAPSA-N 0 1 413.512 4.188 20 0 HIADMN CN(Cc1ccccc1N1CCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469152236 883249082 /nfs/dbraw/zinc/24/90/82/883249082.db2.gz ZALWHYJJWYPYQL-HSZRJFAPSA-N 0 1 413.512 4.188 20 0 HIADMN CCc1[nH]nc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1Br ZINC000469181967 883281786 /nfs/dbraw/zinc/28/17/86/883281786.db2.gz QCVYLBVKBMQTFQ-NSHDSACASA-N 0 1 416.241 4.383 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)cccc21 ZINC000469184768 883283737 /nfs/dbraw/zinc/28/37/37/883283737.db2.gz YYVOUYBPCKALQX-INIZCTEOSA-N 0 1 423.494 4.176 20 0 HIADMN Cc1c([C@@H](C)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cnn1C(C)C ZINC000469188626 883287171 /nfs/dbraw/zinc/28/71/71/883287171.db2.gz HBECBRPLAIEVFR-PBHICJAKSA-N 0 1 408.468 4.243 20 0 HIADMN O=C(CCCCc1cn[nH]n1)Nc1nc2ccccc2n1CCCc1ccccc1 ZINC000469285616 883384065 /nfs/dbraw/zinc/38/40/65/883384065.db2.gz PKSYHSASMVHKCZ-UHFFFAOYSA-N 0 1 402.502 4.139 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)CSc3ccc(C(F)(F)F)cn3)cccc21 ZINC000469296788 883393635 /nfs/dbraw/zinc/39/36/35/883393635.db2.gz WSLBLKGSWHTRSV-HNNXBMFYSA-N 0 1 411.449 4.216 20 0 HIADMN C[C@H](Oc1ccccc1Br)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000469343000 883459065 /nfs/dbraw/zinc/45/90/65/883459065.db2.gz HEQJEMGHOZWWHF-SUMWQHHRSA-N 0 1 419.319 4.240 20 0 HIADMN COc1ccc(C)cc1NC(=O)[C@H](NCC[C@@H](OC)C(F)(F)F)c1ccccc1 ZINC000469349897 883469131 /nfs/dbraw/zinc/46/91/31/883469131.db2.gz SHJUFXOXMRYRBQ-RTBURBONSA-N 0 1 410.436 4.240 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000469355658 883478172 /nfs/dbraw/zinc/47/81/72/883478172.db2.gz XOPVVWDOOXUNRZ-HXUWFJFHSA-N 0 1 410.905 4.472 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000469485876 883719506 /nfs/dbraw/zinc/71/95/06/883719506.db2.gz MBDPZNHBVWAXQR-HZPDHXFCSA-N 0 1 419.978 4.294 20 0 HIADMN Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469496654 883737800 /nfs/dbraw/zinc/73/78/00/883737800.db2.gz XMJFSILPNBSXMV-OAHLLOKOSA-N 0 1 419.369 4.460 20 0 HIADMN COc1ccc([C@H](Cc2ccc(F)cc2)NCc2cc(-c3cnn(C)c3)no2)cc1 ZINC000469519869 883785652 /nfs/dbraw/zinc/78/56/52/883785652.db2.gz AGBQTLSUECOIOE-QFIPXVFZSA-N 0 1 406.461 4.296 20 0 HIADMN C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(Br)c2F)C[N@H+]1Cc1ccccc1 ZINC000469581261 883822369 /nfs/dbraw/zinc/82/23/69/883822369.db2.gz UVOINKBGWFRQRR-OCCSQVGLSA-N 0 1 409.274 4.120 20 0 HIADMN C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(Br)c2F)CN1Cc1ccccc1 ZINC000469581261 883822370 /nfs/dbraw/zinc/82/23/70/883822370.db2.gz UVOINKBGWFRQRR-OCCSQVGLSA-N 0 1 409.274 4.120 20 0 HIADMN CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469622517 883838015 /nfs/dbraw/zinc/83/80/15/883838015.db2.gz UFSORFZBONDLCE-IBGZPJMESA-N 0 1 421.463 4.186 20 0 HIADMN O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@@H]1CCCc2[nH]cnc21 ZINC000469628976 883840352 /nfs/dbraw/zinc/84/03/52/883840352.db2.gz DQJDQLGKVGZYIR-MJGOQNOKSA-N 0 1 410.315 4.498 20 0 HIADMN COc1c(F)cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1F ZINC000469654875 883851468 /nfs/dbraw/zinc/85/14/68/883851468.db2.gz YJNRCHWTRNYADB-MRXNPFEDSA-N 0 1 417.378 4.417 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)Nc1ccccc1-n1ccc(C)n1)N1CCCC1 ZINC000469657387 883853258 /nfs/dbraw/zinc/85/32/58/883853258.db2.gz BLMWSJWOQQBEFM-QFIPXVFZSA-N 0 1 419.529 4.148 20 0 HIADMN Cc1nnc(SCCC(=O)NCc2ccccc2COc2ccccc2Cl)[nH]1 ZINC000469716235 883884896 /nfs/dbraw/zinc/88/48/96/883884896.db2.gz SFTHPEPHHIKMDP-UHFFFAOYSA-N 0 1 416.934 4.144 20 0 HIADMN O=C1[C@@H](N2CC=C(c3c[nH]c4ncccc34)CC2)CCCN1Cc1ccc(F)cc1F ZINC000469730217 883889634 /nfs/dbraw/zinc/88/96/34/883889634.db2.gz ZBAYPMKEAFBPCE-QFIPXVFZSA-N 0 1 422.479 4.121 20 0 HIADMN CN(CCC(=O)Nc1ccc(Br)cc1F)Cc1nc2ccccc2o1 ZINC000469734311 883891365 /nfs/dbraw/zinc/89/13/65/883891365.db2.gz AONGXXMYACBCDQ-UHFFFAOYSA-N 0 1 406.255 4.190 20 0 HIADMN COc1cc(Br)ccc1[C@H](C)NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000469749211 883906734 /nfs/dbraw/zinc/90/67/34/883906734.db2.gz SNZONXQLIQOGKM-KBPBESRZSA-N 0 1 423.326 4.467 20 0 HIADMN COc1cc(Br)ccc1[C@@H](C)NCC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000469749214 883907711 /nfs/dbraw/zinc/90/77/11/883907711.db2.gz SNZONXQLIQOGKM-ZIAGYGMSSA-N 0 1 423.326 4.467 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3[C@@H](c4ccccc4)C3(F)F)CCN2C2CC2)c1 ZINC000469754723 883918535 /nfs/dbraw/zinc/91/85/35/883918535.db2.gz WSIPUMUSTSDLGD-YUMYIRISSA-N 0 1 412.480 4.138 20 0 HIADMN CC(C)n1ncc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C1CC1 ZINC000469771116 883945198 /nfs/dbraw/zinc/94/51/98/883945198.db2.gz ZRMLCZAAONJTEP-GOSISDBHSA-N 0 1 408.468 4.393 20 0 HIADMN CCN(CC)S(=O)(=O)c1ccc(CCN[C@H](C)c2csc(C(C)C)n2)s1 ZINC000469800266 883974418 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4.081 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)N[C@H]3CCCC[C@@H]3Cc3ccccc3)n[nH]2)cc1 ZINC000477443326 892393652 /nfs/dbraw/zinc/39/36/52/892393652.db2.gz BMDCKXCUIDEXLZ-CTNGQTDRSA-N 0 1 419.529 4.081 20 0 HIADMN CC(C)Oc1cccc(CNC(=O)CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000477455738 892414189 /nfs/dbraw/zinc/41/41/89/892414189.db2.gz CZJYJRUNHOWWFM-UHFFFAOYSA-N 0 1 417.347 4.131 20 0 HIADMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCCC1)N[C@H]1CCOc2ccccc21 ZINC000477457336 892416699 /nfs/dbraw/zinc/41/66/99/892416699.db2.gz HMIUGCYNVCRQID-NRFANRHFSA-N 0 1 422.525 4.190 20 0 HIADMN CC[C@@H](c1nnc(NC(=O)c2cccc(N3CCC[NH+]=C3[O-])c2)s1)c1ccccc1 ZINC000477461087 892425109 /nfs/dbraw/zinc/42/51/09/892425109.db2.gz FXJOMCFJMFXJEJ-GOSISDBHSA-N 0 1 421.526 4.252 20 0 HIADMN CC[C@H](Nc1ccccc1)C(=O)NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477462089 892426032 /nfs/dbraw/zinc/42/60/32/892426032.db2.gz DMKXRLDEKOCOQH-ORYQWCPZSA-N 0 1 403.929 4.479 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1Br)N1CCCC1 ZINC000477497884 892502866 /nfs/dbraw/zinc/50/28/66/892502866.db2.gz HZIQAILPTVFSEB-LJQANCHMSA-N 0 1 417.347 4.333 20 0 HIADMN Cc1nn(CC(F)(F)F)cc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000477501999 892507725 /nfs/dbraw/zinc/50/77/25/892507725.db2.gz UPOPISARKPVUDA-INIZCTEOSA-N 0 1 414.497 4.018 20 0 HIADMN CN(C(=O)c1cccc(CN2CCN(C)CC2)c1)C1c2ccccc2-c2ccccc21 ZINC000477625885 892739084 /nfs/dbraw/zinc/73/90/84/892739084.db2.gz DSSYPAUHPDCQRH-UHFFFAOYSA-N 0 1 411.549 4.276 20 0 HIADMN Cn1nc2ccccc2c1C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000477638352 892760800 /nfs/dbraw/zinc/76/08/00/892760800.db2.gz RHWKQTKEFVWJDS-UHFFFAOYSA-N 0 1 409.318 4.356 20 0 HIADMN CCN(C[C@H]1CCN(CC(=O)N[C@H](C)c2cccc3ccccc32)C1)CC(F)(F)F ZINC000477712274 892822244 /nfs/dbraw/zinc/82/22/44/892822244.db2.gz AJWOMPUQCRCOEI-QZTJIDSGSA-N 0 1 421.507 4.223 20 0 HIADMN CCN(C[C@@H]1CCN(CC(=O)Nc2ccccc2-c2ccccc2)C1)CC(F)(F)F ZINC000477720409 892825856 /nfs/dbraw/zinc/82/58/56/892825856.db2.gz DFWLILZQIXAOET-SFHVURJKSA-N 0 1 419.491 4.498 20 0 HIADMN CCN(C[C@@H]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1)CC(F)(F)F ZINC000477728936 892829713 /nfs/dbraw/zinc/82/97/13/892829713.db2.gz AVTLFPPLPGPFFN-ZDUSSCGKSA-N 0 1 402.848 4.096 20 0 HIADMN CCN(C[C@H]1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)C1)CC(F)(F)F ZINC000477739466 892835763 /nfs/dbraw/zinc/83/57/63/892835763.db2.gz CCMCOFXEHVUSCM-CYBMUJFWSA-N 0 1 402.848 4.096 20 0 HIADMN COc1ccc(CN(C)C(=O)CN(C)C2c3ccccc3-c3ccccc32)cc1OC ZINC000477745811 892840693 /nfs/dbraw/zinc/84/06/93/892840693.db2.gz SJGNBRGYQBZOFJ-UHFFFAOYSA-N 0 1 416.521 4.364 20 0 HIADMN O=C(CCc1cnc[nH]1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000477785268 892866688 /nfs/dbraw/zinc/86/66/88/892866688.db2.gz BLSNQSGKGKPCTP-UHFFFAOYSA-N 0 1 402.376 4.252 20 0 HIADMN Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2)cc1 ZINC000477814661 892883859 /nfs/dbraw/zinc/88/38/59/892883859.db2.gz AHEFCDSWPIDKMA-BWAGFHJFSA-N 0 1 413.539 4.046 20 0 HIADMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000477820113 892887272 /nfs/dbraw/zinc/88/72/72/892887272.db2.gz DUHMZTDRXSPUNU-DBVUQKKJSA-N 0 1 410.539 4.494 20 0 HIADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000477832043 892894783 /nfs/dbraw/zinc/89/47/83/892894783.db2.gz CHWJIWQCPORZHV-COPCDDAFSA-N 0 1 416.537 4.205 20 0 HIADMN COc1ccc(-n2c(C[N@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])nc3ccccc32)cc1 ZINC000477834927 892896647 /nfs/dbraw/zinc/89/66/47/892896647.db2.gz OGUCXGWHVGPLQD-AQKFKSFVSA-N 0 1 405.498 4.252 20 0 HIADMN Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000477837638 892898199 /nfs/dbraw/zinc/89/81/99/892898199.db2.gz RQIQSVXGSSGUBJ-YYWHXJBOSA-N 0 1 408.498 4.444 20 0 HIADMN CCN1C[C@H](C)N(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C[C@H]1C ZINC000504974200 913713508 /nfs/dbraw/zinc/71/35/08/913713508.db2.gz XVDAGBSKEJWIAX-WWMYMODYSA-N 0 1 400.954 4.143 20 0 HIADMN Cc1c([C@@H](C)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000477927850 893015310 /nfs/dbraw/zinc/01/53/10/893015310.db2.gz PZZNWQMFDFBDES-HXOBKFHXSA-N 0 1 406.505 4.080 20 0 HIADMN Cc1nc(CCNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)sc1C ZINC000477928830 893018196 /nfs/dbraw/zinc/01/81/96/893018196.db2.gz FMKKQCKYXJGDOU-SFHVURJKSA-N 0 1 406.983 4.092 20 0 HIADMN COc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000477943755 893033785 /nfs/dbraw/zinc/03/37/85/893033785.db2.gz WCRGDANTVNNXNS-HNAYVOBHSA-N 0 1 417.347 4.218 20 0 HIADMN O=C(c1ccc(Br)c(F)c1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000477957427 893049493 /nfs/dbraw/zinc/04/94/93/893049493.db2.gz HBQLUHLQFWCAKD-INIZCTEOSA-N 0 1 415.266 4.351 20 0 HIADMN O=C(c1ccc(Br)c(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000477957427 893049524 /nfs/dbraw/zinc/04/95/24/893049524.db2.gz HBQLUHLQFWCAKD-INIZCTEOSA-N 0 1 415.266 4.351 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccc(F)c1 ZINC000504983840 913728897 /nfs/dbraw/zinc/72/88/97/913728897.db2.gz VRNHTTWKCRCJIQ-MRXNPFEDSA-N 0 1 417.378 4.330 20 0 HIADMN CCOC[C@@H]1CCN(Cc2csc(-c3cc(Br)ccc3OC)n2)C1 ZINC000478020982 893142946 /nfs/dbraw/zinc/14/29/46/893142946.db2.gz CSOSVRXUMXUMRI-CYBMUJFWSA-N 0 1 411.365 4.440 20 0 HIADMN CCc1cc(Br)ccc1NC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000478048505 893193806 /nfs/dbraw/zinc/19/38/06/893193806.db2.gz PZLXKRRVMKRPPP-UHFFFAOYSA-N 0 1 414.307 4.161 20 0 HIADMN Cc1ccnn1-c1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cc1 ZINC000478183563 893347745 /nfs/dbraw/zinc/34/77/45/893347745.db2.gz VFPBGQRLDUXLES-QFIPXVFZSA-N 0 1 408.933 4.401 20 0 HIADMN CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCSc1nnc(C)[nH]1 ZINC000478218232 893377946 /nfs/dbraw/zinc/37/79/46/893377946.db2.gz OBMKVEFNTLZIGW-GOSISDBHSA-N 0 1 413.591 4.344 20 0 HIADMN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCC(=O)Nc1cccnc1)CC2 ZINC000478227025 893388652 /nfs/dbraw/zinc/38/86/52/893388652.db2.gz JYZJHJUVVSYJHN-HSZRJFAPSA-N 0 1 423.538 4.137 20 0 HIADMN Cc1cc(C(=O)Nc2ccc(F)c(NS(=O)(=O)c3cccs3)c2)ccc1F ZINC000505026110 913768632 /nfs/dbraw/zinc/76/86/32/913768632.db2.gz CTOONSRVIUIUSS-UHFFFAOYSA-N 0 1 408.451 4.388 20 0 HIADMN COc1ccc(CNCc2cn(-c3ccc(Br)cc3)nc2C(C)C)cn1 ZINC000478281876 893487581 /nfs/dbraw/zinc/48/75/81/893487581.db2.gz JZDWRWWBPRGRKI-UHFFFAOYSA-N 0 1 415.335 4.452 20 0 HIADMN Cn1cc([C@H](NCCOc2ccccc2Br)c2ccc(F)cc2)cn1 ZINC000478309067 893532077 /nfs/dbraw/zinc/53/20/77/893532077.db2.gz QKEXVFZNGZVELS-LJQANCHMSA-N 0 1 404.283 4.080 20 0 HIADMN Cn1cc([C@@H](NCCOc2ccccc2Br)c2ccc(F)cc2)cn1 ZINC000478309063 893532653 /nfs/dbraw/zinc/53/26/53/893532653.db2.gz QKEXVFZNGZVELS-IBGZPJMESA-N 0 1 404.283 4.080 20 0 HIADMN COCc1cccc(OCC2(CN[C@@H](c3cnn(C)c3)c3ccc(F)cc3)CC2)c1 ZINC000478315564 893541785 /nfs/dbraw/zinc/54/17/85/893541785.db2.gz ZVIKMBASCYTLJK-HSZRJFAPSA-N 0 1 409.505 4.244 20 0 HIADMN CN1C[C@H](NC(=O)c2ccc(-c3nc4ccccc4s3)o2)[C@@H](c2ccccc2)C1 ZINC000478369897 893631454 /nfs/dbraw/zinc/63/14/54/893631454.db2.gz KOKVBLSWWDQNAM-AEFFLSMTSA-N 0 1 403.507 4.384 20 0 HIADMN Cc1cc(CC(=O)N[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)[nH]n1 ZINC000478522217 893828230 /nfs/dbraw/zinc/82/82/30/893828230.db2.gz NJDCFFMTRVSNJX-NSHDSACASA-N 0 1 405.321 4.024 20 0 HIADMN CCC[N@@H+](CC)Cc1ccc(C(=O)N=c2nc(-c3cccc(OC)c3)[n-]s2)cc1 ZINC000478668332 893916680 /nfs/dbraw/zinc/91/66/80/893916680.db2.gz MIUVGBGDACJPQP-UHFFFAOYSA-N 0 1 410.543 4.120 20 0 HIADMN COc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(OC)c(C)c1OC ZINC000478679648 893933723 /nfs/dbraw/zinc/93/37/23/893933723.db2.gz XHCLKSPKOKXAQO-UHFFFAOYSA-N 0 1 406.287 4.128 20 0 HIADMN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000478683316 893937167 /nfs/dbraw/zinc/93/71/67/893937167.db2.gz YJCNMXVCAZDOTG-SSDOTTSWSA-N 0 1 410.746 4.268 20 0 HIADMN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(Br)sc2Cl)cn1 ZINC000478683317 893937650 /nfs/dbraw/zinc/93/76/50/893937650.db2.gz YJCNMXVCAZDOTG-ZETCQYMHSA-N 0 1 410.746 4.268 20 0 HIADMN O=C(CN(Cc1ccco1)c1cccc(Cl)c1)Nc1ccn(-c2ccncc2)n1 ZINC000505113729 913824150 /nfs/dbraw/zinc/82/41/50/913824150.db2.gz LJXNIBSQNUOGJW-UHFFFAOYSA-N 0 1 407.861 4.159 20 0 HIADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(OC)c(C)cc1C ZINC000478697488 893959597 /nfs/dbraw/zinc/95/95/97/893959597.db2.gz AEUFCHLICWHCRT-CQSZACIVSA-N 0 1 413.923 4.180 20 0 HIADMN CN1CCC[C@@H]1C(=O)NCc1ccc(OCCSc2ccc(Cl)cc2)cc1 ZINC000478706910 893968948 /nfs/dbraw/zinc/96/89/48/893968948.db2.gz ZHLPWMOHBHXMKT-HXUWFJFHSA-N 0 1 404.963 4.222 20 0 HIADMN O=C(Nc1ccc(Cl)cc1Br)NC1CCN(Cc2ccncc2)CC1 ZINC000478745986 894021416 /nfs/dbraw/zinc/02/14/16/894021416.db2.gz YYHRURWFFPHUMI-UHFFFAOYSA-N 0 1 423.742 4.284 20 0 HIADMN COc1ccc(-c2n[nH]c(S[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)n2)cc1 ZINC000478806115 894080629 /nfs/dbraw/zinc/08/06/29/894080629.db2.gz WJFNZZRIAGCWMH-INIZCTEOSA-N 0 1 418.881 4.170 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C)N2CCCC2)cc1 ZINC000478818972 894091852 /nfs/dbraw/zinc/09/18/52/894091852.db2.gz BOXAQXDVBOJBHR-LZQZEXGQSA-N 0 1 413.484 4.205 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000505135635 913835654 /nfs/dbraw/zinc/83/56/54/913835654.db2.gz KLSFVNTXUNCUTH-IBGZPJMESA-N 0 1 421.463 4.466 20 0 HIADMN Cc1cc(Br)ccc1SCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000505135268 913835946 /nfs/dbraw/zinc/83/59/46/913835946.db2.gz MRHWDSBTVXLOEU-UHFFFAOYSA-N 0 1 403.305 4.069 20 0 HIADMN COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2c2csc(C)n2)N2CCCC2)cc1 ZINC000478855514 894134258 /nfs/dbraw/zinc/13/42/58/894134258.db2.gz PMCDWZYHKDISCG-RTWAWAEBSA-N 0 1 414.575 4.144 20 0 HIADMN CCOc1c(Cl)cccc1CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000478874543 894153263 /nfs/dbraw/zinc/15/32/63/894153263.db2.gz KTIWFURBXQEKBX-UHFFFAOYSA-N 0 1 404.913 4.201 20 0 HIADMN Cc1ccc([C@H](CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)N2CCCC2)o1 ZINC000478892525 894173229 /nfs/dbraw/zinc/17/32/29/894173229.db2.gz MVJBJMWRRRLGRP-RDJZCZTQSA-N 0 1 401.473 4.345 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)N2CC3(CCOCC3)c3ccccc32)N2CCCC2)o1 ZINC000478892583 894175022 /nfs/dbraw/zinc/17/50/22/894175022.db2.gz NQWPKLMOGGLLAT-OAQYLSRUSA-N 0 1 409.530 4.003 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)N(C)C3CCC(F)(F)CC3)cc2)C[C@@H](C)O1 ZINC000478924629 894204353 /nfs/dbraw/zinc/20/43/53/894204353.db2.gz KGOFRTQCFCABDB-IAGOWNOFSA-N 0 1 409.521 4.015 20 0 HIADMN CCOc1cc(CN[C@@H](c2ccccc2)C(C)(C)C)nc2nc(C(F)(F)F)nn21 ZINC000478960103 894240618 /nfs/dbraw/zinc/24/06/18/894240618.db2.gz LPNHHQNLKHAHCC-INIZCTEOSA-N 0 1 407.440 4.419 20 0 HIADMN COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1ccc(Br)cn1 ZINC000479071659 894335938 /nfs/dbraw/zinc/33/59/38/894335938.db2.gz SQVNHQCNCFVFKT-LLVKDONJSA-N 0 1 412.715 4.186 20 0 HIADMN Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCc1cccc(COC(C)(C)C)c1 ZINC000479084108 894350204 /nfs/dbraw/zinc/35/02/04/894350204.db2.gz XDDPXKKLMNHNJX-KRWDZBQOSA-N 0 1 404.576 4.117 20 0 HIADMN CCc1nc(CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)n[nH]1 ZINC000479111029 894379373 /nfs/dbraw/zinc/37/93/73/894379373.db2.gz VKHHYTGDMWKQGR-UHFFFAOYSA-N 0 1 406.515 4.224 20 0 HIADMN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000479135545 894403803 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Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2F)n1 ZINC000483166006 898835579 /nfs/dbraw/zinc/83/55/79/898835579.db2.gz UMNLLGXOBPFZFF-HXUWFJFHSA-N 0 1 412.534 4.257 20 0 HIADMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000483169853 898838513 /nfs/dbraw/zinc/83/85/13/898838513.db2.gz CZHZURMFBIDXBT-QGZVFWFLSA-N 0 1 422.451 4.307 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2(Cc3cccc(F)c3)CCC2)CC1 ZINC000483193233 898850310 /nfs/dbraw/zinc/85/03/10/898850310.db2.gz HJNYPNIHDCSPMO-SFHVURJKSA-N 0 1 410.537 4.211 20 0 HIADMN Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)cc2F)n1 ZINC000483193694 898851488 /nfs/dbraw/zinc/85/14/88/898851488.db2.gz QMQHSEFJVYWBAI-NRFANRHFSA-N 0 1 406.505 4.023 20 0 HIADMN O=C(Nc1cccc(C[S@](=O)Cc2ccccc2)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000483204008 898857640 /nfs/dbraw/zinc/85/76/40/898857640.db2.gz RTZAMVUSJXDSRO-ACSYHNTCSA-N 0 1 408.527 4.058 20 0 HIADMN CC[C@H](Cc1ccccc1Br)N(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000483204724 898857902 /nfs/dbraw/zinc/85/79/02/898857902.db2.gz SMZWJZMJSBEQMM-WBVHZDCISA-N 0 1 405.340 4.212 20 0 HIADMN O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1ccc(Oc2ccccc2)o1 ZINC000483227343 898870376 /nfs/dbraw/zinc/87/03/76/898870376.db2.gz LFAOCTLBXQSRMA-UHFFFAOYSA-N 0 1 404.426 4.037 20 0 HIADMN OC[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000483240924 898883879 /nfs/dbraw/zinc/88/38/79/898883879.db2.gz UUJABRNELFLQDI-AWEZNQCLSA-N 0 1 415.118 4.455 20 0 HIADMN Cc1ccc(OC[C@@H](O)CN[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c(C)c1 ZINC000483256396 898897368 /nfs/dbraw/zinc/89/73/68/898897368.db2.gz DOIVEXFAZJACMJ-MAUKXSAKSA-N 0 1 417.855 4.039 20 0 HIADMN CCN(C)c1ccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cn1 ZINC000483258236 898900914 /nfs/dbraw/zinc/90/09/14/898900914.db2.gz ABUIETZETOYDAP-UHFFFAOYSA-N 0 1 404.917 4.181 20 0 HIADMN C[C@@H](CNC(=O)c1cccc(C(=O)Nc2ccccc2)c1)N1CCc2ccccc2C1 ZINC000505590386 914297727 /nfs/dbraw/zinc/29/77/27/914297727.db2.gz MLPZRHCERHHPMC-IBGZPJMESA-N 0 1 413.521 4.116 20 0 HIADMN FC(F)(F)c1nnc(N2CCCN(Cc3ccc(OCC4CC4)cc3)CC2)s1 ZINC000483336430 898965564 /nfs/dbraw/zinc/96/55/64/898965564.db2.gz HLJCYGQDQMGDRW-UHFFFAOYSA-N 0 1 412.481 4.058 20 0 HIADMN Cc1cc(C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000483340510 898969764 /nfs/dbraw/zinc/96/97/64/898969764.db2.gz KHTJSTUTTBBVLC-JOCHJYFZSA-N 0 1 401.938 4.265 20 0 HIADMN Cc1cc(CN2CC(C)(C)O[C@]3(CCCOC3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000483340510 898969774 /nfs/dbraw/zinc/96/97/74/898969774.db2.gz KHTJSTUTTBBVLC-JOCHJYFZSA-N 0 1 401.938 4.265 20 0 HIADMN COC1(CNC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)CCCCC1 ZINC000483378663 899013610 /nfs/dbraw/zinc/01/36/10/899013610.db2.gz ZDSYZSBRCZVJGI-GOSISDBHSA-N 0 1 403.571 4.091 20 0 HIADMN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1ccsc1 ZINC000505602075 914306682 /nfs/dbraw/zinc/30/66/82/914306682.db2.gz LFNGFKOUKAOROD-GOSISDBHSA-N 0 1 411.493 4.400 20 0 HIADMN COc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)CC2 ZINC000483435880 899068260 /nfs/dbraw/zinc/06/82/60/899068260.db2.gz SBMLQPOPXLWMLC-RPWUZVMVSA-N 0 1 407.535 4.465 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000483454173 899090988 /nfs/dbraw/zinc/09/09/88/899090988.db2.gz WMVMTVLLSPXHLK-UHFFFAOYSA-N 0 1 412.493 4.148 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000483464343 899104800 /nfs/dbraw/zinc/10/48/00/899104800.db2.gz UYZASHNLIARHQU-QHCPKHFHSA-N 0 1 424.460 4.462 20 0 HIADMN CCCCCn1nc(C)cc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000483490395 899144258 /nfs/dbraw/zinc/14/42/58/899144258.db2.gz ZIYQQVQBAOPGKY-UHFFFAOYSA-N 0 1 401.530 4.307 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000483527246 899189522 /nfs/dbraw/zinc/18/95/22/899189522.db2.gz CSUGATMQSNSGHK-GVDBMIGSSA-N 0 1 401.473 4.475 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000483527245 899189750 /nfs/dbraw/zinc/18/97/50/899189750.db2.gz CSUGATMQSNSGHK-BBWFWOEESA-N 0 1 401.473 4.475 20 0 HIADMN CCOc1ccc(NC(=O)CN2CCN(CCc3ccc4ccccc4c3)CC2)cc1 ZINC000483539000 899199653 /nfs/dbraw/zinc/19/96/53/899199653.db2.gz ACLBEENTUJTPAW-UHFFFAOYSA-N 0 1 417.553 4.037 20 0 HIADMN CN(CCCN(C)C(=O)Nc1cc(F)cc(Br)c1F)Cc1ccco1 ZINC000483536857 899200341 /nfs/dbraw/zinc/20/03/41/899200341.db2.gz ZNSNGHJXCFUYPS-UHFFFAOYSA-N 0 1 416.266 4.306 20 0 HIADMN CCc1ccc(-c2noc([C@@H](C)N[C@@H](C)CCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000483655378 899315007 /nfs/dbraw/zinc/31/50/07/899315007.db2.gz PUJXUCNEENDZGH-JKSUJKDBSA-N 0 1 418.497 4.024 20 0 HIADMN O=C(N[C@H](CC1CCCCC1)c1ccccc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000483685139 899343069 /nfs/dbraw/zinc/34/30/69/899343069.db2.gz WCEMEBMGZUUOEO-ISKFKSNPSA-N 0 1 413.606 4.452 20 0 HIADMN CC(C)c1ccc([C@@H](CNC(=O)CCc2cnc[nH]2)N2CCc3sccc3C2)cc1 ZINC000483685522 899344738 /nfs/dbraw/zinc/34/47/38/899344738.db2.gz WVZAZDPZZOPXRM-JOCHJYFZSA-N 0 1 422.598 4.443 20 0 HIADMN CCc1nc(C)c([C@@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000483709746 899366249 /nfs/dbraw/zinc/36/62/49/899366249.db2.gz GQTHJCRCDUZIIO-MLGOLLRUSA-N 0 1 409.502 4.462 20 0 HIADMN CCc1nc(C)c([C@H](C)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)s1 ZINC000483709742 899366355 /nfs/dbraw/zinc/36/63/55/899366355.db2.gz GQTHJCRCDUZIIO-BLLLJJGKSA-N 0 1 409.502 4.462 20 0 HIADMN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000483712807 899369565 /nfs/dbraw/zinc/36/95/65/899369565.db2.gz QRSRVCBPLFVEAH-APWZRJJASA-N 0 1 415.475 4.458 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(F)c2ccccc12 ZINC000483717364 899376253 /nfs/dbraw/zinc/37/62/53/899376253.db2.gz AFONFAFFUGMPOA-UHFFFAOYSA-N 0 1 407.489 4.382 20 0 HIADMN Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)N2CCCC2)o1 ZINC000483724219 899383896 /nfs/dbraw/zinc/38/38/96/899383896.db2.gz BXSRMCSYEMUBIX-BBWFWOEESA-N 0 1 401.473 4.393 20 0 HIADMN Cc1ccc([C@@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)s1 ZINC000483735900 899397596 /nfs/dbraw/zinc/39/75/96/899397596.db2.gz YSZHUUWDBYZECG-OAHLLOKOSA-N 0 1 402.541 4.498 20 0 HIADMN Cc1ccc([C@H](C)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)s1 ZINC000483735898 899398028 /nfs/dbraw/zinc/39/80/28/899398028.db2.gz YSZHUUWDBYZECG-HNNXBMFYSA-N 0 1 402.541 4.498 20 0 HIADMN CCS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000483752653 899415248 /nfs/dbraw/zinc/41/52/48/899415248.db2.gz YVXGVVYJPPITRW-BHIYHBOVSA-N 0 1 422.614 4.002 20 0 HIADMN C[C@@H](NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000483762699 899423987 /nfs/dbraw/zinc/42/39/87/899423987.db2.gz YXBIEMCORUTYRP-OAHLLOKOSA-N 0 1 400.475 4.267 20 0 HIADMN Cc1cccc2nc(CNC(=O)N3CCC[C@H]3c3nc4ccc(Cl)cc4[nH]3)cn21 ZINC000483800152 899473497 /nfs/dbraw/zinc/47/34/97/899473497.db2.gz GAJYIQGOYMAWAU-SFHVURJKSA-N 0 1 408.893 4.219 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3cnn(Cc4ccccc4)c3)ccc2NC1=O ZINC000483837408 899517319 /nfs/dbraw/zinc/51/73/19/899517319.db2.gz GSVAITNVHAWCLV-JLHGSKIFSA-N 0 1 404.514 4.453 20 0 HIADMN CCC[C@H](NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C)c1cccc(C(F)(F)F)c1 ZINC000483852115 899535140 /nfs/dbraw/zinc/53/51/40/899535140.db2.gz RYVMRLVKESHWQG-INIZCTEOSA-N 0 1 418.419 4.486 20 0 HIADMN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000483867852 899549397 /nfs/dbraw/zinc/54/93/97/899549397.db2.gz LAFBBXNYOJXOOX-HXUWFJFHSA-N 0 1 408.502 4.112 20 0 HIADMN Cc1ccc(Oc2ccccc2CNC(=O)C(=O)Nc2cc3cn[nH]c3cc2C)cc1 ZINC000483890534 899565374 /nfs/dbraw/zinc/56/53/74/899565374.db2.gz AXEOQLPMPKCKII-UHFFFAOYSA-N 0 1 414.465 4.227 20 0 HIADMN CCC(CC)(CNC(=O)C(=O)Nc1cc2cn[nH]c2cc1C)c1ccc(Cl)cc1 ZINC000483893680 899567766 /nfs/dbraw/zinc/56/77/66/899567766.db2.gz FQOUFYINVNVXKD-UHFFFAOYSA-N 0 1 412.921 4.337 20 0 HIADMN CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000484007662 899643503 /nfs/dbraw/zinc/64/35/03/899643503.db2.gz RYIQCIUEJMWRCC-UHFFFAOYSA-N 0 1 417.874 4.151 20 0 HIADMN O=C(N1CCC[C@H](CN2CCOCC2)C1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000484031026 899662821 /nfs/dbraw/zinc/66/28/21/899662821.db2.gz DLQDEFGMQAPRSH-LJQANCHMSA-N 0 1 404.982 4.113 20 0 HIADMN O=C(c1ccc(CSc2ccccc2)cc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000484035449 899665730 /nfs/dbraw/zinc/66/57/30/899665730.db2.gz LVNYMMJIUPUBLA-NRFANRHFSA-N 0 1 410.583 4.163 20 0 HIADMN O=C(N1CCC[C@H](CN2CCOCC2)C1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000484060474 899694402 /nfs/dbraw/zinc/69/44/02/899694402.db2.gz MZTGWZIRAWVNDE-LJQANCHMSA-N 0 1 404.982 4.113 20 0 HIADMN O=C1Nc2ccccc2CC[C@H]1N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000484077932 899712920 /nfs/dbraw/zinc/71/29/20/899712920.db2.gz WLCQOUCVWKKWHH-FXAWDEMLSA-N 0 1 406.461 4.009 20 0 HIADMN O=C(c1ccc(Oc2cccc(Cl)c2)cc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000484113020 899736801 /nfs/dbraw/zinc/73/68/01/899736801.db2.gz IUYZINKUUYYGRJ-GOSISDBHSA-N 0 1 414.933 4.317 20 0 HIADMN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000484212447 899816010 /nfs/dbraw/zinc/81/60/10/899816010.db2.gz PUGCNZNBYCXYPS-UHFFFAOYSA-N 0 1 412.493 4.347 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000484240052 899828682 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ZLCYZGGTECBFMV-NMLACTOBSA-N 0 1 423.960 4.071 20 0 HIADMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000520703884 928750947 /nfs/dbraw/zinc/75/09/47/928750947.db2.gz YAOOGQYTHJCRRB-MOPGFXCFSA-N 0 1 401.942 4.137 20 0 HIADMN COc1cc(Cl)ccc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000520715880 928764083 /nfs/dbraw/zinc/76/40/83/928764083.db2.gz XQLXYOLNQWTMJA-UHFFFAOYSA-N 0 1 407.655 4.149 20 0 HIADMN Cc1c(S(=O)(=O)Nc2ccc(Cc3nc(C(C)C)no3)cc2)c2ccccc2n1C ZINC000520851145 928843433 /nfs/dbraw/zinc/84/34/33/928843433.db2.gz WSPPMVDRDZZSBS-UHFFFAOYSA-N 0 1 424.526 4.385 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)N(C)C)cc1 ZINC000520905513 928868225 /nfs/dbraw/zinc/86/82/25/928868225.db2.gz UCGRLPUPOGBRST-HSZRJFAPSA-N 0 1 417.509 4.145 20 0 HIADMN COCCOc1ccccc1CNCC1=Cc2cc(Br)ccc2OC1 ZINC000520949452 928885865 /nfs/dbraw/zinc/88/58/65/928885865.db2.gz CLJKNBGHMNXKLC-UHFFFAOYSA-N 0 1 404.304 4.040 20 0 HIADMN COc1cc2c(cc1CNCc1cc(Br)c(OC)c(OC)c1)O[C@H](C)C2 ZINC000520959358 928889625 /nfs/dbraw/zinc/88/96/25/928889625.db2.gz DMVPOAIKENCMGQ-GFCCVEGCSA-N 0 1 422.319 4.088 20 0 HIADMN CCn1nc(C)c(CNCc2ccc(OCc3cn4cccc(C)c4n3)cc2)c1C ZINC000520963327 928891642 /nfs/dbraw/zinc/89/16/42/928891642.db2.gz BUQNNPMWGAEAPT-UHFFFAOYSA-N 0 1 403.530 4.345 20 0 HIADMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1 ZINC000520966628 928894052 /nfs/dbraw/zinc/89/40/52/928894052.db2.gz ZQVQBHNTGPDQFG-UHFFFAOYSA-N 0 1 417.556 4.278 20 0 HIADMN COc1ccc(-c2n[nH]c(SCc3ncc(-c4cccs4)o3)n2)c(OC)c1 ZINC000520971651 928897184 /nfs/dbraw/zinc/89/71/84/928897184.db2.gz RMRNWXWHMAHNPW-UHFFFAOYSA-N 0 1 400.485 4.498 20 0 HIADMN COc1cc2c(cc1CN[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)O[C@@H](C)C2 ZINC000520992978 928909718 /nfs/dbraw/zinc/90/97/18/928909718.db2.gz ZJUDNAJISFHSGO-MBSDFSHPSA-N 0 1 416.521 4.358 20 0 HIADMN COc1cc([C@@H](C)N[C@H]2CCN(c3ccccc3)C2=O)ccc1OCc1ccncc1 ZINC000521011432 928929455 /nfs/dbraw/zinc/92/94/55/928929455.db2.gz FKYCNAKYNWNNNF-GCJKJVERSA-N 0 1 417.509 4.125 20 0 HIADMN COc1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1OCC(F)(F)F ZINC000521127439 929010920 /nfs/dbraw/zinc/01/09/20/929010920.db2.gz CRMBTNZUDSYXIY-KRWDZBQOSA-N 0 1 408.420 4.239 20 0 HIADMN CCN1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 ZINC000521136464 929017480 /nfs/dbraw/zinc/01/74/80/929017480.db2.gz IQHLGTZOGHWTLK-UHFFFAOYSA-N 0 1 408.933 4.361 20 0 HIADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC(c2ccc(O)cc2)CC1 ZINC000521165125 929038613 /nfs/dbraw/zinc/03/86/13/929038613.db2.gz LJFFIWIVFPWURM-UHFFFAOYSA-N 0 1 400.276 4.051 20 0 HIADMN COc1cc2c(cc1OC)CCN([C@H](C)c1nc(-c3ccc(C)c(F)c3)no1)CC2 ZINC000521197897 929055823 /nfs/dbraw/zinc/05/58/23/929055823.db2.gz QDYLROLYBXEHSR-OAHLLOKOSA-N 0 1 411.477 4.363 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCc2cc(F)ccc2F)cc1 ZINC000521234255 929070799 /nfs/dbraw/zinc/07/07/99/929070799.db2.gz FLCZHDKMQCRQMO-UHFFFAOYSA-N 0 1 422.478 4.066 20 0 HIADMN C[C@H](CNC(=O)N[C@H](C)c1nc(C(C)(C)C)cs1)N1CCc2ccccc2C1 ZINC000521239538 929074481 /nfs/dbraw/zinc/07/44/81/929074481.db2.gz NZOOENMSQTVYPY-HZPDHXFCSA-N 0 1 400.592 4.248 20 0 HIADMN CN(C)CCN(Cc1cccc(F)c1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000521334287 929147591 /nfs/dbraw/zinc/14/75/91/929147591.db2.gz FQJJVQRVOVDWRY-UHFFFAOYSA-N 0 1 419.349 4.026 20 0 HIADMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3Cl)n2)c(OC)c1 ZINC000521357764 929178669 /nfs/dbraw/zinc/17/86/69/929178669.db2.gz MJPNTKMPHCPSOH-UHFFFAOYSA-N 0 1 422.869 4.012 20 0 HIADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000521359840 929182110 /nfs/dbraw/zinc/18/21/10/929182110.db2.gz GOXMFULJRYOPTR-FQEVSTJZSA-N 0 1 421.298 4.372 20 0 HIADMN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)[C@H]3CCN(C4CC4)C3)cc12 ZINC000521363368 929183997 /nfs/dbraw/zinc/18/39/97/929183997.db2.gz KOVBCMZOXLZMQW-KRWDZBQOSA-N 0 1 414.962 4.358 20 0 HIADMN C[C@@H](CNC(=O)N(C)Cc1cccc(C(F)(F)F)c1)N1CCc2ccccc2C1 ZINC000521412629 929209933 /nfs/dbraw/zinc/20/99/33/929209933.db2.gz OADQLLQMFXQGMH-INIZCTEOSA-N 0 1 405.464 4.294 20 0 HIADMN Cc1nc(COc2ccccc2C(=O)N2CCN(CC3CCCCC3)CC2)cs1 ZINC000521419670 929213434 /nfs/dbraw/zinc/21/34/34/929213434.db2.gz LSWAEIPRZCQNKB-UHFFFAOYSA-N 0 1 413.587 4.369 20 0 HIADMN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CN(C(C)C)C2CC2)nc1C ZINC000521428779 929218360 /nfs/dbraw/zinc/21/83/60/929218360.db2.gz UASVHAUJVLBINY-UHFFFAOYSA-N 0 1 415.559 4.034 20 0 HIADMN CCOc1cc2c(cc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 ZINC000521444943 929225127 /nfs/dbraw/zinc/22/51/27/929225127.db2.gz NENQDFDZUBGQFX-APWZRJJASA-N 0 1 413.518 4.350 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccco1 ZINC000521465391 929232291 /nfs/dbraw/zinc/23/22/91/929232291.db2.gz CJMNHGIXBRPVSL-FQEVSTJZSA-N 0 1 412.534 4.110 20 0 HIADMN CN(C)[C@H](CNC(=O)N(Cc1cccc(Br)c1)C1CC1)c1cccs1 ZINC000521465423 929232721 /nfs/dbraw/zinc/23/27/21/929232721.db2.gz GFGVJXISGGZJCP-QGZVFWFLSA-N 0 1 422.392 4.488 20 0 HIADMN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(Br)c(F)c3)C2=O)cc1 ZINC000521478493 929242204 /nfs/dbraw/zinc/24/22/04/929242204.db2.gz JQLULJXYMQYTCU-ORAYPTAESA-N 0 1 421.310 4.049 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1nccnc1-c1nc2ccccc2s1)c1ccco1 ZINC000521488850 929247984 /nfs/dbraw/zinc/24/79/84/929247984.db2.gz ALAPSUWNJHGIDD-INIZCTEOSA-N 0 1 421.526 4.159 20 0 HIADMN CC(C)[C@H](C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)N1CCCCC1 ZINC000521502481 929256599 /nfs/dbraw/zinc/25/65/99/929256599.db2.gz OTZXQYPYYYHFOI-HXUWFJFHSA-N 0 1 414.937 4.436 20 0 HIADMN Cc1cc(C)nc(Sc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)cc2)n1 ZINC000521527324 929275260 /nfs/dbraw/zinc/27/52/60/929275260.db2.gz OHNXKRFIDRUGBB-UHFFFAOYSA-N 0 1 407.467 4.324 20 0 HIADMN COC(=O)CCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000521527451 929275615 /nfs/dbraw/zinc/27/56/15/929275615.db2.gz VWMQLLZTGNVDOJ-UHFFFAOYSA-N 0 1 421.824 4.265 20 0 HIADMN NC(=O)[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)c1ccc(Br)cc1 ZINC000521532586 929278874 /nfs/dbraw/zinc/27/88/74/929278874.db2.gz QWCKKHGNTGPDFV-BDJZEXMMSA-N 0 1 415.316 4.056 20 0 HIADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000521558855 929295348 /nfs/dbraw/zinc/29/53/48/929295348.db2.gz LRLICMWBTMTUMR-UHFFFAOYSA-N 0 1 406.442 4.162 20 0 HIADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc2c(s1)-c1ccccc1OC2 ZINC000521558855 929295366 /nfs/dbraw/zinc/29/53/66/929295366.db2.gz LRLICMWBTMTUMR-UHFFFAOYSA-N 0 1 406.442 4.162 20 0 HIADMN CC1(C)CN(C2(CNC(=O)c3csc(Br)c3)CCCCC2)CCO1 ZINC000521757118 929419547 /nfs/dbraw/zinc/41/95/47/929419547.db2.gz JYCLPUASYHCFMN-UHFFFAOYSA-N 0 1 415.397 4.054 20 0 HIADMN CCCN(C(=O)NC1CCN(Cc2ccccn2)CC1)[C@@H](C)c1ccccc1OC ZINC000521787988 929446550 /nfs/dbraw/zinc/44/65/50/929446550.db2.gz ZWOLIMDQJAGYKI-IBGZPJMESA-N 0 1 410.562 4.237 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N([C@H](C)C(C)C)C2CC2)c1 ZINC000521802845 929462835 /nfs/dbraw/zinc/46/28/35/929462835.db2.gz COTTZRIIUAKTTF-MRXNPFEDSA-N 0 1 416.543 4.145 20 0 HIADMN CCCN(CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000521814972 929472182 /nfs/dbraw/zinc/47/21/82/929472182.db2.gz WJGFZVZTLJNJAB-GOSISDBHSA-N 0 1 415.559 4.175 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NCc1ccccc1C(F)(F)F ZINC000521823017 929479087 /nfs/dbraw/zinc/47/90/87/929479087.db2.gz HZHRRFUXTQLLFO-UHFFFAOYSA-N 0 1 406.452 4.087 20 0 HIADMN O=C(NC[C@H]1CCCCN1Cc1cccc(Cl)c1)c1cc2c([nH]c1=O)CCCC2 ZINC000521881749 929531165 /nfs/dbraw/zinc/53/11/65/929531165.db2.gz SGYJWJJTTHLUQJ-LJQANCHMSA-N 0 1 413.949 4.104 20 0 HIADMN O=C(c1[nH]nc2ccc(Br)cc21)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000521923988 929566283 /nfs/dbraw/zinc/56/62/83/929566283.db2.gz XKBLOGXQZIWKCO-OAHLLOKOSA-N 0 1 402.267 4.312 20 0 HIADMN C[C@H](CSc1ccccc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000521964599 929602870 /nfs/dbraw/zinc/60/28/70/929602870.db2.gz FFZLDUOJJNCEMF-VAMGGRTRSA-N 0 1 412.599 4.340 20 0 HIADMN CCCc1cc(NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)n[nH]1 ZINC000522011671 929618427 /nfs/dbraw/zinc/61/84/27/929618427.db2.gz VGZVKVWPSSPEPB-UHFFFAOYSA-N 0 1 418.906 4.069 20 0 HIADMN C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000524487158 929633755 /nfs/dbraw/zinc/63/37/55/929633755.db2.gz QYECKOQYICNGKU-GFCCVEGCSA-N 0 1 408.845 4.233 20 0 HIADMN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000524542788 929674463 /nfs/dbraw/zinc/67/44/63/929674463.db2.gz JFUOMHYTLNSVSG-UHFFFAOYSA-N 0 1 405.608 4.378 20 0 HIADMN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc(=O)c2ccccc2[nH]1 ZINC000524546760 929676916 /nfs/dbraw/zinc/67/69/16/929676916.db2.gz OLOMIFVFXLBUEY-LJAQVGFWSA-N 0 1 402.475 4.088 20 0 HIADMN CCN(CC)[C@H](CNC(=O)Nc1nnc(Cc2ccc(C)cc2)s1)c1ccco1 ZINC000524565121 929690689 /nfs/dbraw/zinc/69/06/89/929690689.db2.gz IHNITOCSUYGARI-QGZVFWFLSA-N 0 1 413.547 4.235 20 0 HIADMN CC(C)Oc1ncccc1NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000524661157 929774822 /nfs/dbraw/zinc/77/48/22/929774822.db2.gz RFDNSHHXNMFXDR-UHFFFAOYSA-N 0 1 406.490 4.065 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)N1CCC[C@@H]1c1ccncc1 ZINC000524669423 929784261 /nfs/dbraw/zinc/78/42/61/929784261.db2.gz ASHVLTQMQPBNTC-JOCHJYFZSA-N 0 1 412.965 4.494 20 0 HIADMN CN(C)[C@@H](CNC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1)c1cccs1 ZINC000524721539 929810167 /nfs/dbraw/zinc/81/01/67/929810167.db2.gz BMZUVGXVLOYDKF-FQEVSTJZSA-N 0 1 413.587 4.440 20 0 HIADMN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000524744959 929817225 /nfs/dbraw/zinc/81/72/25/929817225.db2.gz FTDHHQBAVOQXRC-ZDUSSCGKSA-N 0 1 423.738 4.327 20 0 HIADMN COc1ccc([C@@H](NC(=O)CN2CCC[C@@H]2c2cccc(N(C)C)c2)C(C)C)cc1 ZINC000524756424 929819876 /nfs/dbraw/zinc/81/98/76/929819876.db2.gz JYCMJTNXAHBSBX-NOZRDPDXSA-N 0 1 409.574 4.412 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)N(Cc3ccccc3)C(C)C)ccc2NC1=O ZINC000524776959 929825839 /nfs/dbraw/zinc/82/58/39/929825839.db2.gz VKTCGPVCCUDNTF-SVMVAKDDSA-N 0 1 423.557 4.272 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)C(=O)Nc3cccc4ncccc43)ccc2NC1=O ZINC000524776963 929826004 /nfs/dbraw/zinc/82/60/04/929826004.db2.gz VUNUVELDGWWHQW-PZPWOCDFSA-N 0 1 418.497 4.022 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)N(Cc3ccccc3)C(C)C)ccc2NC1=O ZINC000524776958 929826062 /nfs/dbraw/zinc/82/60/62/929826062.db2.gz VKTCGPVCCUDNTF-SPEDKVCISA-N 0 1 423.557 4.272 20 0 HIADMN CC[C@H](C)[C@@H]1CCCCN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000524811506 929840026 /nfs/dbraw/zinc/84/00/26/929840026.db2.gz MAYBKSKHUINYPA-QILLFSRXSA-N 0 1 411.468 4.193 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000524822475 929844638 /nfs/dbraw/zinc/84/46/38/929844638.db2.gz WLAMFYINFVOPDP-HZPDHXFCSA-N 0 1 401.913 4.363 20 0 HIADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csc(Nc2ccccn2)n1 ZINC000524874945 929867716 /nfs/dbraw/zinc/86/77/16/929867716.db2.gz DETBSDQBDAMEIJ-QGZVFWFLSA-N 0 1 407.543 4.018 20 0 HIADMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[C@@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000524887260 929873628 /nfs/dbraw/zinc/87/36/28/929873628.db2.gz MPDVGCFRJSAMQA-LJQANCHMSA-N 0 1 405.893 4.048 20 0 HIADMN CN(CCCCOc1cccc(C(F)(F)F)c1)Cc1ccc(S(C)(=O)=O)cc1 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ZINC000539824040 938946182 /nfs/dbraw/zinc/94/61/82/938946182.db2.gz SHONKEVROFWNRO-ZDUSSCGKSA-N 0 1 414.449 4.321 20 0 HIADMN O=C1CCCCN1C1CCN(Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000539823404 938946194 /nfs/dbraw/zinc/94/61/94/938946194.db2.gz ABMCDVBKOGHUIU-UHFFFAOYSA-N 0 1 406.574 4.202 20 0 HIADMN COc1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc2c1OCCO2 ZINC000539824039 938946673 /nfs/dbraw/zinc/94/66/73/938946673.db2.gz SHONKEVROFWNRO-CYBMUJFWSA-N 0 1 414.449 4.321 20 0 HIADMN COc1ccc([C@H](CO)N(C)Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)cc1 ZINC000539827186 938948089 /nfs/dbraw/zinc/94/80/89/938948089.db2.gz GBZANNWNTRQUOY-QHCPKHFHSA-N 0 1 423.557 4.488 20 0 HIADMN Fc1cccc(N2CCCC2)c1CN1CCC(n2cc(Br)cn2)CC1 ZINC000539827894 938949108 /nfs/dbraw/zinc/94/91/08/938949108.db2.gz NMSSWTPQWYSZEB-UHFFFAOYSA-N 0 1 407.331 4.222 20 0 HIADMN Cc1nn(C)c(OCC(F)(F)F)c1CN(C)CCc1ccc(Br)cc1 ZINC000539839594 938954525 /nfs/dbraw/zinc/95/45/25/938954525.db2.gz UYRBALOZYGYGFU-UHFFFAOYSA-N 0 1 420.273 4.107 20 0 HIADMN O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000539840933 938954947 /nfs/dbraw/zinc/95/49/47/938954947.db2.gz LMQFDWJNUFVUOJ-QGZVFWFLSA-N 0 1 412.843 4.047 20 0 HIADMN COCCOc1ccccc1N1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000539851509 938957786 /nfs/dbraw/zinc/95/77/86/938957786.db2.gz KQKPVVRDSSWBJZ-UHFFFAOYSA-N 0 1 403.526 4.096 20 0 HIADMN Clc1ccc(OC[C@H]2CCCO2)c(CN2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000539859210 938959393 /nfs/dbraw/zinc/95/93/93/938959393.db2.gz CIKLQCVZNRZRQI-FGZHOGPDSA-N 0 1 423.981 4.448 20 0 HIADMN O=C(Cc1cn2ccccc2n1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539890766 938968041 /nfs/dbraw/zinc/96/80/41/938968041.db2.gz FTVIUNRRSLCOPO-UHFFFAOYSA-N 0 1 409.318 4.046 20 0 HIADMN CCOc1cc(CN2CCC[C@H]3COCC[C@H]32)cc(Br)c1OC(F)F ZINC000539891847 938968662 /nfs/dbraw/zinc/96/86/62/938968662.db2.gz UKHSPDYLGKNIFF-DZGCQCFKSA-N 0 1 420.294 4.450 20 0 HIADMN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539892215 938968860 /nfs/dbraw/zinc/96/88/60/938968860.db2.gz FWNABOXUUBYTJA-PWSUYJOCSA-N 0 1 421.366 4.130 20 0 HIADMN O=C(CSCc1ccccn1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000539892016 938968898 /nfs/dbraw/zinc/96/88/98/938968898.db2.gz VLYLIJIAEWHASD-UHFFFAOYSA-N 0 1 416.375 4.484 20 0 HIADMN CCOc1cc(CN2CCC[C@@H]3COCC[C@H]32)cc(Br)c1OC(F)F ZINC000539891850 938968921 /nfs/dbraw/zinc/96/89/21/938968921.db2.gz UKHSPDYLGKNIFF-UKRRQHHQSA-N 0 1 420.294 4.450 20 0 HIADMN Brc1cccc(-c2nc(CN3CCC[C@H](Cn4ccnn4)C3)cs2)c1 ZINC000539895390 938970831 /nfs/dbraw/zinc/97/08/31/938970831.db2.gz QWOQNAWERMPGGT-AWEZNQCLSA-N 0 1 418.364 4.076 20 0 HIADMN CCN(CC)[C@@H](C(=O)N1CCC(OCc2ccccc2OC)CC1)c1ccccc1 ZINC000539901372 938973510 /nfs/dbraw/zinc/97/35/10/938973510.db2.gz WMIVNXGSKOAIQS-XMMPIXPASA-N 0 1 410.558 4.286 20 0 HIADMN COCCc1nc(C)c([C@H](C)NCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000539969278 938982354 /nfs/dbraw/zinc/98/23/54/938982354.db2.gz RITPVVMQCLXQEK-HNNXBMFYSA-N 0 1 424.632 4.062 20 0 HIADMN O=C(CCCOc1ccccc1Br)Nc1ccccc1-c1nnc[nH]1 ZINC000539972134 938982664 /nfs/dbraw/zinc/98/26/64/938982664.db2.gz VUTDRZYSUVGCRX-UHFFFAOYSA-N 0 1 401.264 4.032 20 0 HIADMN c1nc(CNc2ccc3[nH]c(CCN4CCOCC4)nc3c2)sc1-c1ccccc1 ZINC000539978445 939028776 /nfs/dbraw/zinc/02/87/76/939028776.db2.gz DDYVLFKMWQZRJF-UHFFFAOYSA-N 0 1 419.554 4.173 20 0 HIADMN C[C@@H](CC(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)Cc1ccc(Cl)cc1 ZINC000540059546 939054038 /nfs/dbraw/zinc/05/40/38/939054038.db2.gz KOASSMXFMBIBCG-AUSIDOKSSA-N 0 1 413.993 4.014 20 0 HIADMN O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000540079960 939061487 /nfs/dbraw/zinc/06/14/87/939061487.db2.gz IPFLOTDFABSCJB-UHFFFAOYSA-N 0 1 413.428 4.383 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)N2CCCC2)o1 ZINC000540079992 939061599 /nfs/dbraw/zinc/06/15/99/939061599.db2.gz MOEPHLMGEHNHNY-MRXNPFEDSA-N 0 1 403.433 4.361 20 0 HIADMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000540082040 939062946 /nfs/dbraw/zinc/06/29/46/939062946.db2.gz HRSLHLVJXKSTAR-MRXNPFEDSA-N 0 1 400.429 4.366 20 0 HIADMN Cc1ccncc1[C@@H](C)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000540084350 939064189 /nfs/dbraw/zinc/06/41/89/939064189.db2.gz ANEAAHNKHGAZHO-CQSZACIVSA-N 0 1 411.365 4.056 20 0 HIADMN Cc1ccc(CCNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)o1 ZINC000540112585 939077014 /nfs/dbraw/zinc/07/70/14/939077014.db2.gz RQMBXQORLXVKSO-UHFFFAOYSA-N 0 1 402.323 4.483 20 0 HIADMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000540125685 939081944 /nfs/dbraw/zinc/08/19/44/939081944.db2.gz WWRVBPFARLEXIH-UHFFFAOYSA-N 0 1 418.259 4.167 20 0 HIADMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000540140500 939087931 /nfs/dbraw/zinc/08/79/31/939087931.db2.gz LFPFHDYBEORNOO-FUHWJXTLSA-N 0 1 403.542 4.483 20 0 HIADMN Cc1c([C@@H](C)N[C@@H](CO)c2ccc(Br)cc2)cnn1-c1ccc(F)cc1 ZINC000540144066 939090194 /nfs/dbraw/zinc/09/01/94/939090194.db2.gz WIFDEDKZBMOUPX-XCLFUZPHSA-N 0 1 418.310 4.467 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000540147821 939091232 /nfs/dbraw/zinc/09/12/32/939091232.db2.gz WMYQRCGBXSRJPV-BBRMVZONSA-N 0 1 411.493 4.246 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000540147822 939091315 /nfs/dbraw/zinc/09/13/15/939091315.db2.gz WMYQRCGBXSRJPV-CJNGLKHVSA-N 0 1 411.493 4.246 20 0 HIADMN C[C@@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000540149909 939092934 /nfs/dbraw/zinc/09/29/34/939092934.db2.gz CTXONDRDQLEETH-BFUOFWGJSA-N 0 1 407.436 4.374 20 0 HIADMN CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1c(C)noc1C ZINC000540154129 939093619 /nfs/dbraw/zinc/09/36/19/939093619.db2.gz LTVHFCOYCTYYGG-VBKZILBWSA-N 0 1 417.531 4.165 20 0 HIADMN Cn1cc(CN[C@H]2CCCOc3ccc(Br)cc32)c(C(F)(F)F)n1 ZINC000540154408 939094338 /nfs/dbraw/zinc/09/43/38/939094338.db2.gz ZJZIMKPMSBSVDW-ZDUSSCGKSA-N 0 1 404.230 4.205 20 0 HIADMN CCc1nc([C@@H](C)N[C@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)n[nH]1 ZINC000540161061 939096465 /nfs/dbraw/zinc/09/64/65/939096465.db2.gz NVDSFPOGZNZGJA-TZMCWYRMSA-N 0 1 415.563 4.152 20 0 HIADMN CC[C@H](N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)c1ccc(OC)c(OC)c1 ZINC000540163142 939098048 /nfs/dbraw/zinc/09/80/48/939098048.db2.gz FOHONQVGPVZVHV-VJBMBRPKSA-N 0 1 418.965 4.470 20 0 HIADMN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1 ZINC000540185340 939110987 /nfs/dbraw/zinc/11/09/87/939110987.db2.gz JZSUFFGSIWSSKC-GAJHUEQPSA-N 0 1 422.550 4.436 20 0 HIADMN COc1cc(OC)cc(N2CC[C@H](N[C@H](C)c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000540186348 939111915 /nfs/dbraw/zinc/11/19/15/939111915.db2.gz SQIYMLUQPZQZLG-YJYMSZOUSA-N 0 1 408.420 4.179 20 0 HIADMN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3cc(C)ccc3OC(F)F)C2=O)c1 ZINC000540186841 939112017 /nfs/dbraw/zinc/11/20/17/939112017.db2.gz BHCTUAYZRYXSLN-IFXJQAMLSA-N 0 1 420.456 4.070 20 0 HIADMN C[C@H](N[C@@H]1CCCOc2c(Cl)cccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540189487 939112884 /nfs/dbraw/zinc/11/28/84/939112884.db2.gz DFVZMYJKVYYPDJ-IFXJQAMLSA-N 0 1 408.951 4.155 20 0 HIADMN C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000540193013 939118257 /nfs/dbraw/zinc/11/82/57/939118257.db2.gz YXISIQJBQBODFU-OXJNMPFZSA-N 0 1 400.544 4.034 20 0 HIADMN CN(CC(=O)N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)[C@H]1CCSC1 ZINC000540197200 939121496 /nfs/dbraw/zinc/12/14/96/939121496.db2.gz NZKBMYAMWVPZJJ-GUYCJALGSA-N 0 1 406.901 4.363 20 0 HIADMN C[C@H](Cc1ccccc1C(F)(F)F)N(C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000563643482 945231179 /nfs/dbraw/zinc/23/11/79/945231179.db2.gz XJGSWGPOSZILSJ-DNVCBOLYSA-N 0 1 406.448 4.208 20 0 HIADMN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000540267964 939178075 /nfs/dbraw/zinc/17/80/75/939178075.db2.gz ZOOYDITYNDBVMZ-GTNSWQLSSA-N 0 1 416.403 4.188 20 0 HIADMN C[C@@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1OCc1ccccc1 ZINC000540315625 939191260 /nfs/dbraw/zinc/19/12/60/939191260.db2.gz IAYSVAWNVVIUAD-ZWKOTPCHSA-N 0 1 410.539 4.325 20 0 HIADMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000540320712 939193739 /nfs/dbraw/zinc/19/37/39/939193739.db2.gz NCXCQIZJFSXNEJ-LSDHHAIUSA-N 0 1 401.457 4.167 20 0 HIADMN Cc1cccc(C)c1OC[C@H](N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccccc1 ZINC000540320506 939193779 /nfs/dbraw/zinc/19/37/79/939193779.db2.gz MFDJAHYCGZVKRB-CVDCTZTESA-N 0 1 424.566 4.422 20 0 HIADMN COc1ccccc1N1CC[C@H](N[C@@H](C)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000540325698 939194859 /nfs/dbraw/zinc/19/48/59/939194859.db2.gz SCJABWPJCZBYTI-AVRDEDQJSA-N 0 1 417.509 4.125 20 0 HIADMN C[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(OCc2cccnc2)cc1 ZINC000540324594 939195318 /nfs/dbraw/zinc/19/53/18/939195318.db2.gz UIJXLGZUFGTWJQ-VGSWGCGISA-N 0 1 405.473 4.256 20 0 HIADMN COc1cc([C@H](C)NCc2cccc(C(=O)N3CCCCC3)c2)cc(OC)c1OC ZINC000540326292 939195773 /nfs/dbraw/zinc/19/57/73/939195773.db2.gz MLMPXYMNLRZGBR-KRWDZBQOSA-N 0 1 412.530 4.189 20 0 HIADMN CCN(Cc1cccc(F)c1)C(=O)CN[C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000540325883 939195899 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415.537 4.102 20 0 HIADMN COC(=O)c1ccc([C@H](C)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)o1 ZINC000540349677 939202363 /nfs/dbraw/zinc/20/23/63/939202363.db2.gz GPKLRQUFCXFXCI-STQMWFEESA-N 0 1 422.407 4.068 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2nc(-c3ccco3)cs2)ccc1OC(C)C ZINC000540351345 939202998 /nfs/dbraw/zinc/20/29/98/939202998.db2.gz MNHQHLYBVLEWPE-CQSZACIVSA-N 0 1 415.515 4.488 20 0 HIADMN C[C@H](NCC(=O)NCc1ccc(Cl)s1)c1cccc(OCc2ccccn2)c1 ZINC000540351344 939203250 /nfs/dbraw/zinc/20/32/50/939203250.db2.gz HBUIINIXEJRXMR-HNNXBMFYSA-N 0 1 415.946 4.343 20 0 HIADMN COc1cc([C@H](C)NCc2cc(=O)n3cccc(C)c3n2)ccc1OC1CCCC1 ZINC000540351535 939203273 /nfs/dbraw/zinc/20/32/73/939203273.db2.gz JQVHTEQMLZIZIG-KRWDZBQOSA-N 0 1 407.514 4.184 20 0 HIADMN Cc1nc(-c2ccc([C@@H](C)N[C@@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2)cs1 ZINC000540351652 939203848 /nfs/dbraw/zinc/20/38/48/939203848.db2.gz IQPXKNXJJIUTKC-CABCVRRESA-N 0 1 420.538 4.143 20 0 HIADMN C[C@@H](NCC(=O)N(C)Cc1ccc(Cl)s1)c1ccc(NC(=O)C2CC2)cc1 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LDRYGICADOVCPZ-FUHWJXTLSA-N 0 1 415.431 4.161 20 0 HIADMN COc1cccc(C2(CNCc3c(Cl)cccc3S(C)(=O)=O)CCCC2)c1 ZINC000543650170 940150019 /nfs/dbraw/zinc/15/00/19/940150019.db2.gz BOXOMJZEXMFKAB-UHFFFAOYSA-N 0 1 407.963 4.354 20 0 HIADMN O=C(Nc1cccc(N2CCCNC2=O)c1)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000543695964 940162670 /nfs/dbraw/zinc/16/26/70/940162670.db2.gz UKPMCGVBAQMSMC-UHFFFAOYSA-N 0 1 417.494 4.463 20 0 HIADMN CCOC(=O)c1cc(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)n[nH]1 ZINC000543761961 940177562 /nfs/dbraw/zinc/17/75/62/940177562.db2.gz VBKIUZBFTBFLRA-UHFFFAOYSA-N 0 1 421.240 4.333 20 0 HIADMN C[C@@H](N[C@H](CCO)c1ccccc1Br)c1cccc(N2CCOCC2)c1 ZINC000543777853 940184306 /nfs/dbraw/zinc/18/43/06/940184306.db2.gz OCWKBNQVBYHPGS-IIBYNOLFSA-N 0 1 419.363 4.060 20 0 HIADMN CCc1ccc([C@H](CO)NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000543809013 940193389 /nfs/dbraw/zinc/19/33/89/940193389.db2.gz DTOYWJGLEWPLGW-KRWDZBQOSA-N 0 1 401.721 4.471 20 0 HIADMN CC[C@@H](C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1)N(C)Cc1ccccc1 ZINC000563788936 945302396 /nfs/dbraw/zinc/30/23/96/945302396.db2.gz BSRKRENLJODCIM-DLBZAZTESA-N 0 1 424.467 4.139 20 0 HIADMN CCc1ccc([C@H](CO)NCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000543841875 940206136 /nfs/dbraw/zinc/20/61/36/940206136.db2.gz FCQOWQYEXULZPO-DHLKQENFSA-N 0 1 420.578 4.108 20 0 HIADMN COc1ccc2c(c1)C[C@@H](C)N(C(=O)CSc1nc(-c3ccc(C)cc3)n[nH]1)[C@H]2C ZINC000543849096 940207878 /nfs/dbraw/zinc/20/78/78/940207878.db2.gz KOXQVKGVXADLFF-CVEARBPZSA-N 0 1 422.554 4.415 20 0 HIADMN CCOCCOCc1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1C ZINC000543861121 940214260 /nfs/dbraw/zinc/21/42/60/940214260.db2.gz CEZQEXNMFZMQKF-UHFFFAOYSA-N 0 1 416.499 4.004 20 0 HIADMN Clc1ccc(-n2cc(CSc3nc(-c4ccccn4)n[nH]3)nn2)cc1Cl ZINC000543861028 940214262 /nfs/dbraw/zinc/21/42/62/940214262.db2.gz BHWPSOBTJNUORH-UHFFFAOYSA-N 0 1 404.286 4.047 20 0 HIADMN CC[C@@H](C)[C@H](NCc1cnn(CC(C)C)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000543874278 940220578 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20 0 HIADMN COc1cc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)ccc1Br ZINC000543951321 940266405 /nfs/dbraw/zinc/26/64/05/940266405.db2.gz WTMGEZCTYJUPQF-UHFFFAOYSA-N 0 1 418.696 4.115 20 0 HIADMN COc1ccc(CN(C(=O)CN[C@@H](C)c2cccnc2)[C@H](C)Cc2cccs2)cc1 ZINC000543981201 940282589 /nfs/dbraw/zinc/28/25/89/940282589.db2.gz JPDZNTVCNIAUNV-MOPGFXCFSA-N 0 1 423.582 4.462 20 0 HIADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000544000385 940291842 /nfs/dbraw/zinc/29/18/42/940291842.db2.gz MJHRGEQASNDKCX-GOSISDBHSA-N 0 1 405.535 4.243 20 0 HIADMN O=C(c1cc(-c2ccoc2)[nH]n1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000544060886 940314592 /nfs/dbraw/zinc/31/45/92/940314592.db2.gz BEYQZPJGAIUALB-LJQANCHMSA-N 0 1 403.442 4.477 20 0 HIADMN NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000544084041 940321385 /nfs/dbraw/zinc/32/13/85/940321385.db2.gz LKDKCPBRHAKFDH-YCABEKBOSA-N 0 1 418.444 4.183 20 0 HIADMN CC(=O)NC1CCC(N(C)Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000544106041 940328087 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HIADMN CN1CCN(c2ccccc2-c2noc(C[C@H](c3ccccc3)C(F)(F)F)n2)CC1 ZINC000547131776 941006367 /nfs/dbraw/zinc/00/63/67/941006367.db2.gz KSDZRUSCKSBHTB-GOSISDBHSA-N 0 1 416.447 4.377 20 0 HIADMN Cc1ncc(/C=C/c2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)s1 ZINC000547155441 941014078 /nfs/dbraw/zinc/01/40/78/941014078.db2.gz ALFSYOQBBWEIRL-FNORWQNLSA-N 0 1 415.950 4.467 20 0 HIADMN O=C1c2ccc(-c3nc(-c4ccc5[nH]cnc5c4)no3)cc2C(=O)N1C1CCCCC1 ZINC000547161459 941016522 /nfs/dbraw/zinc/01/65/22/941016522.db2.gz DDSJTYYUWRIOBU-UHFFFAOYSA-N 0 1 413.437 4.209 20 0 HIADMN COc1ccc(C2(c3nc(-c4ccc(F)c(CN(C)C)c4)no3)CCC2)cc1OC ZINC000547166322 941018390 /nfs/dbraw/zinc/01/83/90/941018390.db2.gz BKRZOFXEVHFRPM-UHFFFAOYSA-N 0 1 411.477 4.425 20 0 HIADMN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000547246527 941042532 /nfs/dbraw/zinc/04/25/32/941042532.db2.gz VXEZVDDQOPREQE-DEOSSOPVSA-N 0 1 411.854 4.038 20 0 HIADMN CCOc1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(Cl)c1[O-] ZINC000547255432 941045120 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407.518 4.413 20 0 HIADMN CCN(C(=O)Cc1ccc(NC(=O)NCCN2CC=C(C)CC2)cc1)c1ccccc1 ZINC000547277410 941050761 /nfs/dbraw/zinc/05/07/61/941050761.db2.gz IDYPFLJNZDEJLJ-UHFFFAOYSA-N 0 1 420.557 4.056 20 0 HIADMN COc1ccc(C2(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CCOCC2)cc1 ZINC000547412486 941061194 /nfs/dbraw/zinc/06/11/94/941061194.db2.gz OLYZMSCOTMUCEV-UHFFFAOYSA-N 0 1 401.413 4.196 20 0 HIADMN Cn1c(CNC2(c3ccccc3)CCOCC2)nc2ccc(Br)cc21 ZINC000547947508 941080042 /nfs/dbraw/zinc/08/00/42/941080042.db2.gz GEMZBBRIOCOZIP-UHFFFAOYSA-N 0 1 400.320 4.131 20 0 HIADMN CN1CCN(C[C@H](NC(=O)CCCCCc2ccc(F)cc2)c2ccccc2)CC1 ZINC000547952653 941080493 /nfs/dbraw/zinc/08/04/93/941080493.db2.gz CQCGYWABIZHNBQ-DEOSSOPVSA-N 0 1 411.565 4.034 20 0 HIADMN O=C(N[C@H]1CCOc2ccc(F)cc21)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000548040770 941083952 /nfs/dbraw/zinc/08/39/52/941083952.db2.gz ANUJIKIULQSYHK-APWZRJJASA-N 0 1 421.476 4.024 20 0 HIADMN COc1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c2ncccc12 ZINC000548112068 941087331 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O=C(N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1cc(F)c(Cl)cc1F ZINC000438452350 863877359 /nfs/dbraw/zinc/87/73/59/863877359.db2.gz UQRGLSJWFPUQSK-AWEZNQCLSA-N 0 1 416.737 4.275 20 0 HIADMN C[C@@H](Sc1ccccc1)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438454227 863878627 /nfs/dbraw/zinc/87/86/27/863878627.db2.gz KCLAHQUANPZGHX-MLGOLLRUSA-N 0 1 406.433 4.210 20 0 HIADMN Cc1ccc(CC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000438456349 863879888 /nfs/dbraw/zinc/87/98/88/863879888.db2.gz FDPLEEOKQOKDGL-KRWDZBQOSA-N 0 1 408.811 4.234 20 0 HIADMN Cc1nc(CC(C)C)sc1C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000438457039 863880936 /nfs/dbraw/zinc/88/09/36/863880936.db2.gz PVWFIDFIDDMVPQ-OAHLLOKOSA-N 0 1 423.464 4.306 20 0 HIADMN CC(C)COc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000438459179 863882245 /nfs/dbraw/zinc/88/22/45/863882245.db2.gz UTRAXWSLKSVKSL-SFHVURJKSA-N 0 1 418.419 4.378 20 0 HIADMN CCSc1cccc(C(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000438464408 863886223 /nfs/dbraw/zinc/88/62/23/863886223.db2.gz WLDTUQIHESNFAD-INIZCTEOSA-N 0 1 406.433 4.455 20 0 HIADMN COCCOc1cccc(CN(C)[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000438480653 863897301 /nfs/dbraw/zinc/89/73/01/863897301.db2.gz VTDPJEJTLYTHHH-LJQANCHMSA-N 0 1 406.320 4.430 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)Nc1c(F)cc(F)cc1F)N1CCCCC1 ZINC000438521932 863947769 /nfs/dbraw/zinc/94/77/69/863947769.db2.gz FPVMTFLOWOUIAX-SFHVURJKSA-N 0 1 407.436 4.461 20 0 HIADMN COc1cc(OC)cc(OCCCN(C)[C@H](C)C(=O)Nc2cccc(C)c2C)c1 ZINC000438540579 863966372 /nfs/dbraw/zinc/96/63/72/863966372.db2.gz KTLSRXNCOFCABJ-GOSISDBHSA-N 0 1 400.519 4.049 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2ccc(F)c(Br)c2)N(C)C)c1 ZINC000438576831 864008308 /nfs/dbraw/zinc/00/83/08/864008308.db2.gz KPUFTDVBMJZBML-QGZVFWFLSA-N 0 1 410.287 4.021 20 0 HIADMN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438620941 864046965 /nfs/dbraw/zinc/04/69/65/864046965.db2.gz HSFRODGQPWAPBT-SFHVURJKSA-N 0 1 412.287 4.435 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000438651717 864092207 /nfs/dbraw/zinc/09/22/07/864092207.db2.gz AQCJXUJQGWSDIX-CQSZACIVSA-N 0 1 422.982 4.435 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](CC)Cc1ccccc1 ZINC000438663828 864116132 /nfs/dbraw/zinc/11/61/32/864116132.db2.gz JXRNFRJISUQNIC-NRFANRHFSA-N 0 1 424.589 4.322 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cccc(Oc3ccccn3)c2)N(C)C)c1 ZINC000438665647 864118660 /nfs/dbraw/zinc/11/86/60/864118660.db2.gz DVALRHIDKXZOTR-OAQYLSRUSA-N 0 1 406.486 4.307 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000438666492 864120395 /nfs/dbraw/zinc/12/03/95/864120395.db2.gz QYRVTFDDAVEYRX-UHFFFAOYSA-N 0 1 422.982 4.216 20 0 HIADMN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000438777901 864273162 /nfs/dbraw/zinc/27/31/62/864273162.db2.gz WIGQCSGYSLDQAJ-UHFFFAOYSA-N 0 1 407.797 4.255 20 0 HIADMN O=C(CCN1CCN(c2ccccc2O)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000438790752 864283491 /nfs/dbraw/zinc/28/34/91/864283491.db2.gz LVADYAKLSSUFID-UHFFFAOYSA-N 0 1 417.509 4.335 20 0 HIADMN Cc1nc(-c2cccc(NS(=O)(=O)c3cc4oc(=O)[nH]c4cc3Cl)c2)cs1 ZINC000438807523 864298717 /nfs/dbraw/zinc/29/87/17/864298717.db2.gz QHZWZZAOZHLNMX-UHFFFAOYSA-N 0 1 421.887 4.007 20 0 HIADMN Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2)c(Br)c1 ZINC000438809636 864300776 /nfs/dbraw/zinc/30/07/76/864300776.db2.gz WZBFHNTVIHLYHR-UHFFFAOYSA-N 0 1 405.111 4.321 20 0 HIADMN COc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)c(OC)cc1Cl ZINC000438809613 864301114 /nfs/dbraw/zinc/30/11/14/864301114.db2.gz ITMULQATRMRVHD-UHFFFAOYSA-N 0 1 424.675 4.060 20 0 HIADMN COc1ccc(NC(=O)CCN2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000438814260 864305517 /nfs/dbraw/zinc/30/55/17/864305517.db2.gz OAXJUQRCGUHYEK-KRWDZBQOSA-N 0 1 401.938 4.056 20 0 HIADMN COc1cc(NS(=O)(=O)c2ccc(C)c(Br)c2)c(OC)cc1Cl ZINC000438815463 864307676 /nfs/dbraw/zinc/30/76/76/864307676.db2.gz RUXHJUAHUQNQKP-UHFFFAOYSA-N 0 1 420.712 4.229 20 0 HIADMN COCc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OCc2ccccc2)cc1 ZINC000438820536 864313602 /nfs/dbraw/zinc/31/36/02/864313602.db2.gz SGXYIMGCURLNAF-UHFFFAOYSA-N 0 1 413.495 4.221 20 0 HIADMN C[C@H]1CCCN1C(=O)CCN1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000438837996 864331893 /nfs/dbraw/zinc/33/18/93/864331893.db2.gz JMVFMIKMGJWNSA-SFHVURJKSA-N 0 1 415.578 4.073 20 0 HIADMN COc1ccc([C@@H](C)CCNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000438845091 864340016 /nfs/dbraw/zinc/34/00/16/864340016.db2.gz ZXHDGLBUHKLPAN-OALUTQOASA-N 0 1 410.562 4.109 20 0 HIADMN Cc1ccc(OC(F)F)c(CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000438850140 864345247 /nfs/dbraw/zinc/34/52/47/864345247.db2.gz UHZRRBRJYOGJBW-MRXNPFEDSA-N 0 1 418.488 4.016 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000438887045 864371333 /nfs/dbraw/zinc/37/13/33/864371333.db2.gz OZEWXWPQKIOCIW-GJZGRUSLSA-N 0 1 414.310 4.235 20 0 HIADMN CC[C@@H](C(=O)NC1CCN(Cc2cccnc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000438897369 864378901 /nfs/dbraw/zinc/37/89/01/864378901.db2.gz FHVGFAOLQAOOLS-HXUWFJFHSA-N 0 1 405.464 4.375 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000438962447 864431301 /nfs/dbraw/zinc/43/13/01/864431301.db2.gz FXBSOOWJLWQEAG-OAHLLOKOSA-N 0 1 422.451 4.005 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000438962515 864431435 /nfs/dbraw/zinc/43/14/35/864431435.db2.gz QVXNLEPVTNBEEE-HSZRJFAPSA-N 0 1 420.601 4.491 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN([C@@H](C)c4ncc(Br)cn4)C3)[nH]c2c1 ZINC000438988559 864448574 /nfs/dbraw/zinc/44/85/74/864448574.db2.gz XGIDABXSDAJGHW-UONOGXRCSA-N 0 1 400.324 4.364 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1cccc(COC2CCOCC2)c1 ZINC000439003118 864456658 /nfs/dbraw/zinc/45/66/58/864456658.db2.gz OWPIUBVOLFPVSX-QGZVFWFLSA-N 0 1 412.530 4.200 20 0 HIADMN CC(C)(C)c1ccc(S(=O)(=O)CCN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000439003562 864457295 /nfs/dbraw/zinc/45/72/95/864457295.db2.gz OYQITSMWHBODFS-BHDDXSALSA-N 0 1 407.620 4.163 20 0 HIADMN O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000439066581 864519869 /nfs/dbraw/zinc/51/98/69/864519869.db2.gz RJBGKYCAAKHHJZ-UHFFFAOYSA-N 0 1 411.465 4.155 20 0 HIADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000439070618 864523623 /nfs/dbraw/zinc/52/36/23/864523623.db2.gz WIXAEQLMGYNPMO-MOPGFXCFSA-N 0 1 412.449 4.138 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@@H](C)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000439083653 864531895 /nfs/dbraw/zinc/53/18/95/864531895.db2.gz CYFJXPNCDRLEFK-MRXNPFEDSA-N 0 1 418.497 4.152 20 0 HIADMN COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000439085769 864533093 /nfs/dbraw/zinc/53/30/93/864533093.db2.gz KSQILAQHHOWIJW-GJZGRUSLSA-N 0 1 410.518 4.349 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)CC1 ZINC000439139815 864572197 /nfs/dbraw/zinc/57/21/97/864572197.db2.gz NNZPIKDKNNHYHE-QFMFQJCFSA-N 0 1 421.560 4.049 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)CC1 ZINC000439191237 864617625 /nfs/dbraw/zinc/61/76/25/864617625.db2.gz MCMOBGYXSQRHAX-CVEARBPZSA-N 0 1 414.500 4.214 20 0 HIADMN C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439193682 864619074 /nfs/dbraw/zinc/61/90/74/864619074.db2.gz SYKJXCCGQGVMNJ-HZPDHXFCSA-N 0 1 402.489 4.288 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)CC1 ZINC000439196431 864622934 /nfs/dbraw/zinc/62/29/34/864622934.db2.gz DWKGSRZHFIVWIX-CYFREDJKSA-N 0 1 415.541 4.091 20 0 HIADMN COc1ccc([C@H]2CCCN2C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000439195777 864623058 /nfs/dbraw/zinc/62/30/58/864623058.db2.gz BEKVUXLNFJYTQK-FDDCHVKYSA-N 0 1 408.546 4.162 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000439202592 864626369 /nfs/dbraw/zinc/62/63/69/864626369.db2.gz USBQKHNWVYTQGH-CVEARBPZSA-N 0 1 402.489 4.288 20 0 HIADMN CCN(Cc1c(F)cccc1F)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439203503 864627937 /nfs/dbraw/zinc/62/79/37/864627937.db2.gz VYVWQGWREDPWFM-MRXNPFEDSA-N 0 1 402.489 4.117 20 0 HIADMN CCc1cccc2c(CCNC(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)c[nH]c21 ZINC000439203414 864628029 /nfs/dbraw/zinc/62/80/29/864628029.db2.gz XYQBPIFUKXBRPW-SFHVURJKSA-N 0 1 419.573 4.193 20 0 HIADMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)N1CC(Cc2ccccc2Cl)C1 ZINC000439228694 864645536 /nfs/dbraw/zinc/64/55/36/864645536.db2.gz XGOWTNZHGHQUJB-UHFFFAOYSA-N 0 1 415.940 4.328 20 0 HIADMN O=C(Cc1cnc2ccccc2c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000439262031 864679752 /nfs/dbraw/zinc/67/97/52/864679752.db2.gz SWWJMMAKWZLABC-HXUWFJFHSA-N 0 1 413.443 4.187 20 0 HIADMN CC[C@](C)(O)CN(CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccccc1 ZINC000439266054 864683323 /nfs/dbraw/zinc/68/33/23/864683323.db2.gz PEMNPELMEYXHNN-UPVQGACJSA-N 0 1 423.582 4.012 20 0 HIADMN Cc1ccc(Br)cc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439302246 864728882 /nfs/dbraw/zinc/72/88/82/864728882.db2.gz ZBMCTLCGBDHQFJ-OAHLLOKOSA-N 0 1 417.351 4.500 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000439308798 864737095 /nfs/dbraw/zinc/73/70/95/864737095.db2.gz ZMCWNXSOGJSSFL-AWEZNQCLSA-N 0 1 408.424 4.327 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000439310940 864743472 /nfs/dbraw/zinc/74/34/72/864743472.db2.gz BCKVCLZSYDQJJJ-HNNXBMFYSA-N 0 1 422.451 4.370 20 0 HIADMN O=c1cc(CN2CCC(F)(c3cccc(Cl)c3)CC2)nc2ccc(Cl)cn12 ZINC000439317475 864750857 /nfs/dbraw/zinc/75/08/57/864750857.db2.gz PGYKUMUIHUVMCD-UHFFFAOYSA-N 0 1 406.288 4.462 20 0 HIADMN CCOCCN1CCN(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)C[C@H]1CC ZINC000439332562 864770984 /nfs/dbraw/zinc/77/09/84/864770984.db2.gz RDQWEXLRTQOLCW-HXUWFJFHSA-N 0 1 414.550 4.430 20 0 HIADMN Cc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1OCC(F)F ZINC000439370818 864806380 /nfs/dbraw/zinc/80/63/80/864806380.db2.gz NUKMUZUBODMKQR-MRXNPFEDSA-N 0 1 418.488 4.381 20 0 HIADMN CCn1c(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)nc2cc(F)ccc21 ZINC000439437628 864831556 /nfs/dbraw/zinc/83/15/56/864831556.db2.gz ZNZZOUSLUFCXAA-GOSISDBHSA-N 0 1 418.398 4.211 20 0 HIADMN C[C@H](N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1nc(-c2cccs2)no1 ZINC000439447943 864834864 /nfs/dbraw/zinc/83/48/64/864834864.db2.gz GESZSBMRXBLXFC-IINYFYTJSA-N 0 1 420.420 4.375 20 0 HIADMN CCOC(=O)[C@@]1(COC)CCCN([C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000439477443 864845752 /nfs/dbraw/zinc/84/57/52/864845752.db2.gz KLUBSFMCBUIFID-VFNWGFHPSA-N 0 1 406.910 4.348 20 0 HIADMN CCCOc1cc(F)ccc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439482454 864847334 /nfs/dbraw/zinc/84/73/34/864847334.db2.gz VJGASLJRBWMUAV-MRXNPFEDSA-N 0 1 400.498 4.357 20 0 HIADMN CC(C)(C)[NH2+]CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000439492160 864851454 /nfs/dbraw/zinc/85/14/54/864851454.db2.gz MCUSRYVYBHVPQG-UHFFFAOYSA-N 0 1 424.328 4.069 20 0 HIADMN CCn1c2ccccc2nc1[C@@H]1CCCN1C[C@H](O)COCc1ccccc1Cl ZINC000439523850 864863096 /nfs/dbraw/zinc/86/30/96/864863096.db2.gz FELNVOQPLVPYDQ-AVRDEDQJSA-N 0 1 413.949 4.424 20 0 HIADMN C[C@@H](N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000439557036 864882505 /nfs/dbraw/zinc/88/25/05/864882505.db2.gz KAUYEQJXNKJZMV-CVEARBPZSA-N 0 1 423.454 4.232 20 0 HIADMN COc1cccc(NC(=O)[C@@H](NC[C@@H](C)Oc2cccc(OC)c2)c2ccccc2)c1 ZINC000439618070 864941031 /nfs/dbraw/zinc/94/10/31/864941031.db2.gz NLXRWBQPRHXZEN-KOSHJBKYSA-N 0 1 420.509 4.441 20 0 HIADMN Cn1cc(N2CCC[C@@H](N[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)C2)cn1 ZINC000439628955 864955265 /nfs/dbraw/zinc/95/52/65/864955265.db2.gz PAXHPBJTIMTWIN-DVECYGJZSA-N 0 1 413.525 4.084 20 0 HIADMN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000439650236 864976268 /nfs/dbraw/zinc/97/62/68/864976268.db2.gz SYPCFNHHXDKDQV-UHFFFAOYSA-N 0 1 421.570 4.327 20 0 HIADMN COc1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c(OCc2ccccc2)c1 ZINC000439681475 865016151 /nfs/dbraw/zinc/01/61/51/865016151.db2.gz AOGBEWWMLWRDPT-UHFFFAOYSA-N 0 1 406.486 4.409 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(C3CC3)nc3ccccc32)CC1 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CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cccc(F)c2C)CC1 ZINC000467361025 881129087 /nfs/dbraw/zinc/12/90/87/881129087.db2.gz YDKHDKRYKRXXRU-INIZCTEOSA-N 0 1 402.489 4.298 20 0 HIADMN Cc1cc(CN[C@@H](C)c2nc3ccccc3n2C)ccc1I ZINC000467374623 881149943 /nfs/dbraw/zinc/14/99/43/881149943.db2.gz ZBLOXESLKVBHNJ-ZDUSSCGKSA-N 0 1 405.283 4.337 20 0 HIADMN O=C(NCc1ccncc1)Nc1cccc(CN[C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000467382811 881162963 /nfs/dbraw/zinc/16/29/63/881162963.db2.gz RACYZZSDUSJWTQ-JOCHJYFZSA-N 0 1 405.477 4.178 20 0 HIADMN CC(C)(C)Cc1nc2cc(NC(=O)N[C@@H](c3nnc[nH]3)c3ccccc3)ccc2o1 ZINC000467389356 881171995 /nfs/dbraw/zinc/17/19/95/881171995.db2.gz JYFVMFZPRXJDMH-LJQANCHMSA-N 0 1 404.474 4.446 20 0 HIADMN Cc1cccnc1[C@@H]1CCC[C@H](Nc2ccc3[nH]c(CCN4CCOCC4)nc3c2)C1 ZINC000467391209 881174745 /nfs/dbraw/zinc/17/47/45/881174745.db2.gz RLLDRIGZJOJTPV-UXHICEINSA-N 0 1 419.573 4.279 20 0 HIADMN C[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)c1cnn(Cc2ccccc2)c1 ZINC000467406266 881192595 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Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC[NH+](C)C)c(Cl)c2)c(Cl)c1 ZINC000467441362 881242441 /nfs/dbraw/zinc/24/24/41/881242441.db2.gz FBHJOBNHJQMHJI-UHFFFAOYSA-N 0 1 403.331 4.043 20 0 HIADMN O=C(Nc1scnc1C1CC1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000467442256 881243374 /nfs/dbraw/zinc/24/33/74/881243374.db2.gz FFHWHXLLDFOGHN-GFCCVEGCSA-N 0 1 408.409 4.069 20 0 HIADMN C[C@@H]1CC[N@@H+](CCOc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3F)cc2)C1 ZINC000467444793 881246715 /nfs/dbraw/zinc/24/67/15/881246715.db2.gz XBLIQKGNZHPMRE-CQSZACIVSA-N 0 1 412.914 4.001 20 0 HIADMN O=C(Nc1ccc(Cl)cc1Br)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000467449839 881251982 /nfs/dbraw/zinc/25/19/82/881251982.db2.gz LOYVVMBCNHOTKF-CQSZACIVSA-N 0 1 406.671 4.132 20 0 HIADMN Cc1c(-c2cc(CN[C@H](C)c3cccc(OCc4ccccn4)c3)on2)cnn1C ZINC000467451270 881253326 /nfs/dbraw/zinc/25/33/26/881253326.db2.gz UAYXWJWILJWAQB-MRXNPFEDSA-N 0 1 403.486 4.208 20 0 HIADMN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467459628 881268363 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HIADMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@H](C)CC[C@@H]3C)ccc2OC)cc1 ZINC000467500322 881316885 /nfs/dbraw/zinc/31/68/85/881316885.db2.gz CVNSDWVSLPYMJL-IYBDPMFKSA-N 0 1 416.543 4.071 20 0 HIADMN Cn1cc(-c2ncc(CN3CCC(F)(c4ccccc4C(F)(F)F)CC3)cn2)cn1 ZINC000467515030 881329156 /nfs/dbraw/zinc/32/91/56/881329156.db2.gz ZUSSPEQHHRBGHM-UHFFFAOYSA-N 0 1 419.426 4.357 20 0 HIADMN Cc1c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)cnn1C(C)C ZINC000469067006 883144436 /nfs/dbraw/zinc/14/44/36/883144436.db2.gz VKUXQSAVBRJHED-CYFREDJKSA-N 0 1 404.558 4.351 20 0 HIADMN CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c(Cl)c1 ZINC000469083680 883169541 /nfs/dbraw/zinc/16/95/41/883169541.db2.gz PCHFKPWHLJPFRN-SFHVURJKSA-N 0 1 416.909 4.071 20 0 HIADMN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(Nc3ccncc3)cc2)c1 ZINC000469097118 883187225 /nfs/dbraw/zinc/18/72/25/883187225.db2.gz ZJXVTJSWUOJZCZ-UHFFFAOYSA-N 0 1 423.538 4.213 20 0 HIADMN CN(C)[C@@H](CNC(=O)Nc1ccc(N2CCCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000469106200 883199508 /nfs/dbraw/zinc/19/95/08/883199508.db2.gz VBYMFZZKJCCVHD-SFHVURJKSA-N 0 1 421.467 4.125 20 0 HIADMN CN(Cc1ccc(OC(F)F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469125501 883222606 /nfs/dbraw/zinc/22/26/06/883222606.db2.gz ZOEPBPUKACTNBC-LJQANCHMSA-N 0 1 410.411 4.189 20 0 HIADMN Cc1c([C@@H](C)N[C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cnn1C(C)C ZINC000469128551 883223642 /nfs/dbraw/zinc/22/36/42/883223642.db2.gz ZVSDKMCSFXOGLC-KUHUBIRLSA-N 0 1 419.367 4.299 20 0 HIADMN Cc1c([C@@H](C)N[C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)cnn1C(C)C ZINC000469128316 883224197 /nfs/dbraw/zinc/22/41/97/883224197.db2.gz ZVSDKMCSFXOGLC-AUUYWEPGSA-N 0 1 419.367 4.299 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@H]2CCCc3c(Br)cccc32)s1 ZINC000469133574 883230480 /nfs/dbraw/zinc/23/04/80/883230480.db2.gz HOKHKPHURXINFM-HNNXBMFYSA-N 0 1 400.363 4.081 20 0 HIADMN CCN1CCN(c2ccccc2NC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000469157131 883254282 /nfs/dbraw/zinc/25/42/82/883254282.db2.gz ZIYSBOKSXVJQMD-QGZVFWFLSA-N 0 1 414.500 4.128 20 0 HIADMN CS(=O)(=O)c1ccc(CN[C@@H]2CCc3c2cc(Cl)cc3Br)s1 ZINC000469178371 883278386 /nfs/dbraw/zinc/27/83/86/883278386.db2.gz HWFSRKKYDUMWOG-CQSZACIVSA-N 0 1 420.781 4.345 20 0 HIADMN Cc1nc(CN2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000469178303 883278633 /nfs/dbraw/zinc/27/86/33/883278633.db2.gz BENYDXSXOVZUIB-GQIGUUNPSA-N 0 1 403.954 4.377 20 0 HIADMN COc1cc(Br)ccc1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000469189670 883288798 /nfs/dbraw/zinc/28/87/98/883288798.db2.gz WCSPILJADUMANQ-INIZCTEOSA-N 0 1 405.292 4.095 20 0 HIADMN Cc1[nH]c(SCC(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)nc1Cc1ccccc1 ZINC000469196697 883296027 /nfs/dbraw/zinc/29/60/27/883296027.db2.gz UUEYXCYUQVZAAU-DYESRHJHSA-N 0 1 423.582 4.072 20 0 HIADMN Cc1nnc(SCCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)[nH]1 ZINC000469199047 883299737 /nfs/dbraw/zinc/29/97/37/883299737.db2.gz QTTNINHHLYMHMT-UHFFFAOYSA-N 0 1 407.543 4.039 20 0 HIADMN CC[C@@H]1C[C@H](CN[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CCO1 ZINC000503602804 912697128 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20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)NCc3ccc(S(C)(=O)=O)s3)s2)cc1 ZINC000469278605 883376095 /nfs/dbraw/zinc/37/60/95/883376095.db2.gz RXQFYEMVRAHHJJ-LBPRGKRZSA-N 0 1 422.597 4.443 20 0 HIADMN O=C1[C@@H](N[C@@H]2CCSc3c(F)cccc32)CCCN1Cc1ccc(F)cc1F ZINC000469300581 883399469 /nfs/dbraw/zinc/39/94/69/883399469.db2.gz ZZAZLGKRHCKXOM-MOPGFXCFSA-N 0 1 406.473 4.422 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)Cc3cc(Br)ccc3F)cccc21 ZINC000469327771 883435089 /nfs/dbraw/zinc/43/50/89/883435089.db2.gz FVACVCDRECUHMH-KRWDZBQOSA-N 0 1 407.283 4.155 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)cccc21 ZINC000469329292 883437937 /nfs/dbraw/zinc/43/79/37/883437937.db2.gz GKHQWMKSIMXILA-QGZVFWFLSA-N 0 1 419.312 4.208 20 0 HIADMN CCCc1c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cnn1-c1ccccc1 ZINC000469352726 883471406 /nfs/dbraw/zinc/47/14/06/883471406.db2.gz UOHDCCLUDSILJP-NRFANRHFSA-N 0 1 404.514 4.462 20 0 HIADMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc(COc4ccccc4F)on3)cccc21 ZINC000469364214 883486692 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HIADMN CN(C)[C@H](CNC(=O)C[C@@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000469487268 883721616 /nfs/dbraw/zinc/72/16/16/883721616.db2.gz FNUMTBHEASADQA-HNAYVOBHSA-N 0 1 406.448 4.381 20 0 HIADMN Cc1cc(Br)oc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469486721 883722268 /nfs/dbraw/zinc/72/22/68/883722268.db2.gz YABKGSXBSKQGJU-CYBMUJFWSA-N 0 1 419.241 4.402 20 0 HIADMN CN(C)[C@H](CNC(=O)CCc1nc(C2CCCC2)no1)c1cccc(C(F)(F)F)c1 ZINC000469488188 883724309 /nfs/dbraw/zinc/72/43/09/883724309.db2.gz PQWHSTKMESPAAY-QGZVFWFLSA-N 0 1 424.467 4.098 20 0 HIADMN CN(C)[C@H](CNC(=O)Cc1csc(C(C)(C)C)n1)c1cccc(C(F)(F)F)c1 ZINC000469489561 883726695 /nfs/dbraw/zinc/72/66/95/883726695.db2.gz HXBLBELDECNVFE-MRXNPFEDSA-N 0 1 413.509 4.421 20 0 HIADMN COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469508685 883763685 /nfs/dbraw/zinc/76/36/85/883763685.db2.gz OOHXEGDGVQGOQA-ZCNNSNEGSA-N 0 1 406.448 4.237 20 0 HIADMN C[C@@H](NC(=O)[C@H]1CCCc2[nH]cnc21)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000469511214 883768921 /nfs/dbraw/zinc/76/89/21/883768921.db2.gz YGGLMUNYLTZIOG-BEFAXECRSA-N 0 1 403.486 4.351 20 0 HIADMN CN(CCOc1ccc(OCc2ccccc2)cc1)Cc1cc(-c2cnn(C)c2)no1 ZINC000469518857 883783630 /nfs/dbraw/zinc/78/36/30/883783630.db2.gz KJRWTXZRFWQYMA-UHFFFAOYSA-N 0 1 418.497 4.165 20 0 HIADMN CCN(CC)[C@@H](C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1)c1ccccc1 ZINC000469528716 883801183 /nfs/dbraw/zinc/80/11/83/883801183.db2.gz IITMKAVLRCAZNX-OXJNMPFZSA-N 0 1 408.502 4.006 20 0 HIADMN Cc1cccc([C@@H]2CCCCCN2C(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000469543678 883808036 /nfs/dbraw/zinc/80/80/36/883808036.db2.gz AOIKMVVROVZJAR-QHCPKHFHSA-N 0 1 406.574 4.046 20 0 HIADMN Cc1nnc(SCC(=O)N(CCSc2ccc(F)cc2)c2ccccc2)[nH]1 ZINC000469582869 883822819 /nfs/dbraw/zinc/82/28/19/883822819.db2.gz NMUAVFYCSRTBTI-UHFFFAOYSA-N 0 1 402.520 4.170 20 0 HIADMN Cc1n[nH]c(SCC(=O)N(CCSc2ccc(F)cc2)c2ccccc2)n1 ZINC000469582869 883822820 /nfs/dbraw/zinc/82/28/20/883822820.db2.gz NMUAVFYCSRTBTI-UHFFFAOYSA-N 0 1 402.520 4.170 20 0 HIADMN Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1Br ZINC000469663203 883857132 /nfs/dbraw/zinc/85/71/32/883857132.db2.gz UQBIYWCAPBLDND-UHFFFAOYSA-N 0 1 402.336 4.497 20 0 HIADMN Cc1cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)nn1[C@H](C)C1CC1 ZINC000469671883 883861761 /nfs/dbraw/zinc/86/17/61/883861761.db2.gz AGSIWAFUSFUVME-RDTXWAMCSA-N 0 1 423.483 4.606 20 0 HIADMN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000469716859 883884512 /nfs/dbraw/zinc/88/45/12/883884512.db2.gz HPOTUYGEUNIIAE-MAUKXSAKSA-N 0 1 424.467 4.003 20 0 HIADMN CC(C)C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000469723911 883887290 /nfs/dbraw/zinc/88/72/90/883887290.db2.gz ZIOJYPGVIAYRAR-OAQYLSRUSA-N 0 1 414.981 4.151 20 0 HIADMN CC(=O)c1cccc(O[C@@H](C)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000469746280 883904185 /nfs/dbraw/zinc/90/41/85/883904185.db2.gz WASHJNFZTXXPQB-YWZLYKJASA-N 0 1 422.447 4.094 20 0 HIADMN CC(C)n1ncc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1C1CC1 ZINC000469771117 883945459 /nfs/dbraw/zinc/94/54/59/883945459.db2.gz ZRMLCZAAONJTEP-SFHVURJKSA-N 0 1 408.468 4.393 20 0 HIADMN O=C(c1cccc(CN[C@H]2CCSc3ccc(Cl)cc32)c1)N1CCOCC1 ZINC000469809143 883983925 /nfs/dbraw/zinc/98/39/25/883983925.db2.gz NCRCHFVTNXUYLL-IBGZPJMESA-N 0 1 402.947 4.139 20 0 HIADMN O=C(Cc1ccc2c[nH]nc2c1)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000503680888 912787123 /nfs/dbraw/zinc/78/71/23/912787123.db2.gz PWIWFAWKMFWEIZ-UHFFFAOYSA-N 0 1 409.318 4.275 20 0 HIADMN CCc1c(NC(=O)CN2[C@H](C)CC[C@H]2C)n[nH]c1-c1ccc(Br)cc1 ZINC000469967401 884177030 /nfs/dbraw/zinc/17/70/30/884177030.db2.gz PXTQLYPNKJABOL-CHWSQXEVSA-N 0 1 405.340 4.213 20 0 HIADMN C[C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000469970289 884180855 /nfs/dbraw/zinc/18/08/55/884180855.db2.gz YZTMEYPXNJVEPC-IRLDBZIGSA-N 0 1 406.574 4.211 20 0 HIADMN COc1ccc2c(c1)CN(C(=O)c1cc(F)cc3nn[nH]c31)[C@@H](c1ccccc1)C2 ZINC000503696636 912800601 /nfs/dbraw/zinc/80/06/01/912800601.db2.gz DQNLXZJQGYBDCD-OAQYLSRUSA-N 0 1 402.429 4.045 20 0 HIADMN COc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@@H]3c3n[nH]c(C)n3)s2)c(F)c1 ZINC000503723904 912810256 /nfs/dbraw/zinc/81/02/56/912810256.db2.gz AOZBIOWTJRMBDB-MRXNPFEDSA-N 0 1 415.494 4.060 20 0 HIADMN CC[C@@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1CCOCC1 ZINC000470058524 884309233 /nfs/dbraw/zinc/30/92/33/884309233.db2.gz PCGOGMYQQLQCIM-OAQYLSRUSA-N 0 1 407.986 4.056 20 0 HIADMN COc1ccc(SCCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000503737497 912812718 /nfs/dbraw/zinc/81/27/18/912812718.db2.gz IVERUBSLDTZENA-IBGZPJMESA-N 0 1 408.527 4.326 20 0 HIADMN COc1ccc(SCCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000503737497 912812721 /nfs/dbraw/zinc/81/27/21/912812721.db2.gz IVERUBSLDTZENA-IBGZPJMESA-N 0 1 408.527 4.326 20 0 HIADMN Cc1csc([C@@H](C)NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)n1 ZINC000470080544 884338460 /nfs/dbraw/zinc/33/84/60/884338460.db2.gz WLRMFRHBVWRTSH-DOMZBBRYSA-N 0 1 400.470 4.133 20 0 HIADMN C[C@H](CO)N1CCCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)CC1 ZINC000470090325 884346769 /nfs/dbraw/zinc/34/67/69/884346769.db2.gz KPSKZYUTMOLDDA-CYBMUJFWSA-N 0 1 413.370 4.251 20 0 HIADMN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000503777983 912822203 /nfs/dbraw/zinc/82/22/03/912822203.db2.gz NKOJATJTSKDKCT-UHFFFAOYSA-N 0 1 422.876 4.226 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCCC1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000470154631 884425549 /nfs/dbraw/zinc/42/55/49/884425549.db2.gz JUZRKQDOUUOWNA-VQIMIIECSA-N 0 1 403.473 4.284 20 0 HIADMN COC(=O)[C@@H](C)Oc1ccc(CN[C@H](C)c2ccc(Br)cc2OC)cc1 ZINC000470154313 884426091 /nfs/dbraw/zinc/42/60/91/884426091.db2.gz FEKDVWOHEMGGQN-ZIAGYGMSSA-N 0 1 422.319 4.249 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1ccc2ccccc2n1)c1cccc(C(F)(F)F)c1 ZINC000470187562 884480511 /nfs/dbraw/zinc/48/05/11/884480511.db2.gz HRYNRBNBLRPVEQ-HXUWFJFHSA-N 0 1 416.447 4.356 20 0 HIADMN CCCC(=O)NC[C@@H]1CCCN(Cc2cc(Br)cc3cccnc32)C1 ZINC000470191714 884492093 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Cc1ccc2nc(-c3ccc(NC(=O)CN4CCC[C@](C)(O)CC4)cc3)sc2c1 ZINC000471081913 885608910 /nfs/dbraw/zinc/60/89/10/885608910.db2.gz CWHFIXWFKZBFSP-QHCPKHFHSA-N 0 1 409.555 4.447 20 0 HIADMN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c(Cl)cc1F ZINC000471109560 885643884 /nfs/dbraw/zinc/64/38/84/885643884.db2.gz GBNPXOWUEOAKLI-UHFFFAOYSA-N 0 1 408.838 4.434 20 0 HIADMN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 ZINC000471134974 885675027 /nfs/dbraw/zinc/67/50/27/885675027.db2.gz XRLXXMCOZNYNNP-UHFFFAOYSA-N 0 1 407.538 4.010 20 0 HIADMN Cc1ccc(NC(=O)Cc2nc(CN[C@@]3(CO)C[C@H](C)CC(C)(C)C3)cs2)cc1 ZINC000471160344 885713503 /nfs/dbraw/zinc/71/35/03/885713503.db2.gz FLFGGVBPGMNBMP-HXOBKFHXSA-N 0 1 415.603 4.300 20 0 HIADMN CCCC1(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 ZINC000471164876 885721487 /nfs/dbraw/zinc/72/14/87/885721487.db2.gz KECOXJWVBMCFAE-UHFFFAOYSA-N 0 1 418.515 4.023 20 0 HIADMN COc1cccc([C@@H](CNC(=O)c2cc(C)sc2Br)N2CCCC2)c1 ZINC000471166872 885723860 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COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c1 ZINC000480138303 895516480 /nfs/dbraw/zinc/51/64/80/895516480.db2.gz MOACSDJDHPOZSY-KGLIPLIRSA-N 0 1 422.934 4.020 20 0 HIADMN CC[C@@H](C)CN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000480179846 895574388 /nfs/dbraw/zinc/57/43/88/895574388.db2.gz LQDFNMHAHGZTMK-MRXNPFEDSA-N 0 1 404.532 4.004 20 0 HIADMN COc1cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(OC)cc1Cl ZINC000480190466 895587610 /nfs/dbraw/zinc/58/76/10/895587610.db2.gz GNQYBBPISDXUGG-UHFFFAOYSA-N 0 1 409.813 4.263 20 0 HIADMN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000480200445 895597598 /nfs/dbraw/zinc/59/75/98/895597598.db2.gz RZMYUORXCWJLRC-UHFFFAOYSA-N 0 1 406.287 4.128 20 0 HIADMN CC(C)c1c(NS(=O)(=O)c2ccc3c(c2)CCO3)cnn1-c1ccccc1Cl ZINC000480201203 895600256 /nfs/dbraw/zinc/60/02/56/895600256.db2.gz PHDSGZSBLSKRCM-UHFFFAOYSA-N 0 1 417.918 4.385 20 0 HIADMN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480203536 895604184 /nfs/dbraw/zinc/60/41/84/895604184.db2.gz QUNGIFRDMDOLCR-UHFFFAOYSA-N 0 1 424.238 4.369 20 0 HIADMN CCCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CCN(C(=O)c2ccccc2)CC1 ZINC000505321752 913983767 /nfs/dbraw/zinc/98/37/67/913983767.db2.gz YFMNJAZZFLGFIW-UHFFFAOYSA-N 0 1 404.514 4.028 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c(F)c1 ZINC000480208356 895611695 /nfs/dbraw/zinc/61/16/95/895611695.db2.gz IDDKPLYSNLMKQS-UHFFFAOYSA-N 0 1 421.494 4.043 20 0 HIADMN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc1 ZINC000480219690 895625495 /nfs/dbraw/zinc/62/54/95/895625495.db2.gz PVJWSVFNOYRTBQ-INIZCTEOSA-N 0 1 411.937 4.254 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c(F)c1 ZINC000480222580 895627239 /nfs/dbraw/zinc/62/72/39/895627239.db2.gz WDIXRFZKOMERJU-UHFFFAOYSA-N 0 1 422.865 4.263 20 0 HIADMN Cc1cccc(OC[C@@H](C)N[C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)c1 ZINC000480263923 895672084 /nfs/dbraw/zinc/67/20/84/895672084.db2.gz ZOCGHFBSYQRLDK-RDTXWAMCSA-N 0 1 424.360 4.033 20 0 HIADMN C[C@H](NCc1ccccc1OC(F)F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000480267278 895675336 /nfs/dbraw/zinc/67/53/36/895675336.db2.gz QIXUCJQVCPMVPA-INIZCTEOSA-N 0 1 424.513 4.313 20 0 HIADMN C[C@@H]1C[C@@H](NCc2ccccc2S(=O)(=O)N(C)C)c2cccc(Br)c21 ZINC000480295082 895701200 /nfs/dbraw/zinc/70/12/00/895701200.db2.gz UYIXYYKBHRLTPJ-CXAGYDPISA-N 0 1 423.376 4.038 20 0 HIADMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000505329681 913993814 /nfs/dbraw/zinc/99/38/14/913993814.db2.gz FUNMPZOAJVIORA-VQTJNVASSA-N 0 1 407.341 4.023 20 0 HIADMN C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000480310956 895713964 /nfs/dbraw/zinc/71/39/64/895713964.db2.gz QSMXKRQBEMBCOX-IBGZPJMESA-N 0 1 424.566 4.367 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Oc4cnccn4)c3)n2)cc1 ZINC000480325617 895728404 /nfs/dbraw/zinc/72/84/04/895728404.db2.gz KSYNTXSZELNYDT-UHFFFAOYSA-N 0 1 418.482 4.093 20 0 HIADMN O=S1(=O)CC[C@@H](N[C@@H](c2cccs2)C2CC2)c2cc(Br)ccc21 ZINC000480333582 895737736 /nfs/dbraw/zinc/73/77/36/895737736.db2.gz WORJTNMXWKOCKC-RHSMWYFYSA-N 0 1 412.374 4.470 20 0 HIADMN FC(F)(F)Oc1cccc(N2CC[C@@H](NCc3nccn3-c3ccccc3)C2)c1 ZINC000480341718 895747222 /nfs/dbraw/zinc/74/72/22/895747222.db2.gz ZODNKQUAZBGGSB-MRXNPFEDSA-N 0 1 402.420 4.139 20 0 HIADMN FC(F)(F)c1cnc(N2CC[C@H](NCc3nccn3-c3ccccc3)C2)c(Cl)c1 ZINC000480351364 895757016 /nfs/dbraw/zinc/75/70/16/895757016.db2.gz FZHOJUKRYQTENG-HNNXBMFYSA-N 0 1 421.854 4.308 20 0 HIADMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2cccc(F)c2F)o1 ZINC000480358878 895765276 /nfs/dbraw/zinc/76/52/76/895765276.db2.gz HHYOAYRPWPELAA-FQEVSTJZSA-N 0 1 409.436 4.153 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)N1CCCCC1 ZINC000480381255 895787287 /nfs/dbraw/zinc/78/72/87/895787287.db2.gz WFHPWAPJELFLNT-KAGYGMCKSA-N 0 1 417.594 4.115 20 0 HIADMN COC(=O)c1csc(-c2cccc(CNCc3cn4cc(Cl)ccc4n3)c2)n1 ZINC000480449562 895837575 /nfs/dbraw/zinc/83/75/75/895837575.db2.gz ZKKZXRKUSRPCAC-UHFFFAOYSA-N 0 1 412.902 4.188 20 0 HIADMN COC(=O)c1csc(-c2cccc(CNCc3cnn(-c4ccccc4)c3)c2)n1 ZINC000480455532 895842463 /nfs/dbraw/zinc/84/24/63/895842463.db2.gz VADWTLRVWGKBER-UHFFFAOYSA-N 0 1 404.495 4.072 20 0 HIADMN O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000480457498 895843642 /nfs/dbraw/zinc/84/36/42/895843642.db2.gz BFJSYIYNKUSYKO-RTBURBONSA-N 0 1 400.438 4.386 20 0 HIADMN COc1cc([C@@H](C)NCc2c(C)nn(Cc3ccccc3)c2C)cc(OC)c1OC ZINC000480463883 895847044 /nfs/dbraw/zinc/84/70/44/895847044.db2.gz ASRKKUKMSPDJAW-MRXNPFEDSA-N 0 1 409.530 4.425 20 0 HIADMN COc1cc(CN[C@@H](C)C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000480467793 895850849 /nfs/dbraw/zinc/85/08/49/895850849.db2.gz JVSJIQKCZLFXGH-ZDUSSCGKSA-N 0 1 411.329 4.147 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc1 ZINC000480487177 895862485 /nfs/dbraw/zinc/86/24/85/895862485.db2.gz FFHPHPUZDZAAIJ-HXUWFJFHSA-N 0 1 416.543 4.003 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(Sc4nncs4)cc3)[nH]n2)cc1 ZINC000480486351 895862594 /nfs/dbraw/zinc/86/25/94/895862594.db2.gz HXKYWBGJUONALH-UHFFFAOYSA-N 0 1 409.496 4.340 20 0 HIADMN O=C(CN1CCN(CCCCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000480511909 895880115 /nfs/dbraw/zinc/88/01/15/895880115.db2.gz FDPQTFQQGPACMV-UHFFFAOYSA-N 0 1 419.491 4.284 20 0 HIADMN C[C@H]1C[C@H](NCc2cccnc2N2CCOCC2)c2cccc(Br)c21 ZINC000480523996 895887083 /nfs/dbraw/zinc/88/70/83/895887083.db2.gz FPJUBRUSZXEUKB-KSSFIOAISA-N 0 1 402.336 4.019 20 0 HIADMN COc1ccc(-c2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)n[nH]2)cc1 ZINC000480526521 895890720 /nfs/dbraw/zinc/89/07/20/895890720.db2.gz KTWVVBLDEWBSGA-UHFFFAOYSA-N 0 1 415.497 4.180 20 0 HIADMN CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2cccnc2OCC(F)(F)F)cc1 ZINC000480529753 895891973 /nfs/dbraw/zinc/89/19/73/895891973.db2.gz ULHIRLKGICCACA-CQSZACIVSA-N 0 1 410.440 4.403 20 0 HIADMN COc1cc([C@@H](C)NCc2cccnc2OCC(F)(F)F)ccc1OC(F)F ZINC000480532253 895894407 /nfs/dbraw/zinc/89/44/07/895894407.db2.gz ZZKOCKTUBVZFIC-LLVKDONJSA-N 0 1 406.351 4.484 20 0 HIADMN Fc1ccccc1-c1nc2c(s1)[C@@H](NCc1cccnc1N1CCOCC1)CCC2 ZINC000480532882 895894527 /nfs/dbraw/zinc/89/45/27/895894527.db2.gz ARJDDQUJBIKDAA-IBGZPJMESA-N 0 1 424.545 4.348 20 0 HIADMN C[C@@H](NCc1cccnc1N1CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000480534447 895896100 /nfs/dbraw/zinc/89/61/00/895896100.db2.gz FPCLMPJCEGNPET-OAHLLOKOSA-N 0 1 411.493 4.423 20 0 HIADMN Brc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCCC2)nc1 ZINC000480555363 895915442 /nfs/dbraw/zinc/91/54/42/895915442.db2.gz OYDPNOGVGXOLSL-SFHVURJKSA-N 0 1 402.336 4.448 20 0 HIADMN CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)c1C ZINC000480591158 895952681 /nfs/dbraw/zinc/95/26/81/895952681.db2.gz HULLMTYZOVASBV-GQWAEJPESA-N 0 1 406.933 4.378 20 0 HIADMN C[C@@H]1CN(c2ccc(CN[C@H]3CCCOc4ccc(Cl)cc43)cn2)C[C@H](C)O1 ZINC000480603569 895968359 /nfs/dbraw/zinc/96/83/59/895968359.db2.gz DNPOWVFDJYLTGG-YRNRMSPPSA-N 0 1 401.938 4.352 20 0 HIADMN Cc1c([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnn1-c1ccc(F)cc1 ZINC000480609919 895975764 /nfs/dbraw/zinc/97/57/64/895975764.db2.gz DUBHJKQJWDJXBS-KSZLIROESA-N 0 1 423.536 4.179 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000480618144 895986412 /nfs/dbraw/zinc/98/64/12/895986412.db2.gz WHICYHWBQFZUQW-KBPBESRZSA-N 0 1 405.491 4.150 20 0 HIADMN C[C@H](N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000480629800 895996769 /nfs/dbraw/zinc/99/67/69/895996769.db2.gz GEJOJLXYBJLDBU-KBXCAEBGSA-N 0 1 420.431 4.448 20 0 HIADMN COc1cccc(OC)c1Oc1ccc(CNCc2ccc(N(C)C(C)C)nc2)cn1 ZINC000480637073 896006808 /nfs/dbraw/zinc/00/68/08/896006808.db2.gz NTUTXYCNYQRRSV-UHFFFAOYSA-N 0 1 422.529 4.421 20 0 HIADMN CC(C)N(C)c1ccc(CNc2ccc(NC(=O)CN3CCCCCC3)cc2)cn1 ZINC000480638744 896009083 /nfs/dbraw/zinc/00/90/83/896009083.db2.gz RZADXTXRIZJXJL-UHFFFAOYSA-N 0 1 409.578 4.353 20 0 HIADMN Cc1nc([C@@H](C)NC(=O)Nc2cc(-c3ccco3)nn2-c2cc(C)cc(C)c2)n[nH]1 ZINC000480654908 896022316 /nfs/dbraw/zinc/02/23/16/896022316.db2.gz YNBKUWZDMAVQFF-CQSZACIVSA-N 0 1 405.462 4.058 20 0 HIADMN C[C@@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)c(Cl)c1Cl ZINC000480656922 896026296 /nfs/dbraw/zinc/02/62/96/896026296.db2.gz DINKTCAQTDUDPB-SNVBAGLBSA-N 0 1 404.725 4.162 20 0 HIADMN C[C@H](NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)c(Cl)c1Cl ZINC000480656921 896026640 /nfs/dbraw/zinc/02/66/40/896026640.db2.gz DINKTCAQTDUDPB-JTQLQIEISA-N 0 1 404.725 4.162 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(-c4csnn4)cc3)n2)cc1 ZINC000480677244 896040150 /nfs/dbraw/zinc/04/01/50/896040150.db2.gz PUYSLFCFFROXHG-UHFFFAOYSA-N 0 1 408.512 4.029 20 0 HIADMN CN(Cc1ccccc1)C1CN(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)C1 ZINC000480684828 896048144 /nfs/dbraw/zinc/04/81/44/896048144.db2.gz ZCFCKBOYDRRFPQ-UHFFFAOYSA-N 0 1 413.481 4.238 20 0 HIADMN C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000480705130 896066804 /nfs/dbraw/zinc/06/68/04/896066804.db2.gz MGCGRAJGOLTVFA-FQEVSTJZSA-N 0 1 403.526 4.348 20 0 HIADMN CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(Cl)c1F ZINC000480710453 896073073 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ZINC000485137821 900438779 /nfs/dbraw/zinc/43/87/79/900438779.db2.gz YRIAPAJLNOZJDU-QGZVFWFLSA-N 0 1 423.414 4.312 20 0 HIADMN CCCCn1ncc(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)c1C(C)C ZINC000485158550 900457445 /nfs/dbraw/zinc/45/74/45/900457445.db2.gz CWZZQGYOFGTVKT-FQEVSTJZSA-N 0 1 401.555 4.240 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000505784549 914450839 /nfs/dbraw/zinc/45/08/39/914450839.db2.gz OWMVXHPZTDGJGX-UHFFFAOYSA-N 0 1 420.435 4.167 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)C(C)(C)c3ccccc3C)CC2)c1C ZINC000485290470 900567587 /nfs/dbraw/zinc/56/75/87/900567587.db2.gz ZNWFJJALWOLLCA-UHFFFAOYSA-N 0 1 423.601 4.416 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000505794810 914459235 /nfs/dbraw/zinc/45/92/35/914459235.db2.gz HKTBBWTXDYOHQZ-UHFFFAOYSA-N 0 1 420.307 4.109 20 0 HIADMN CCc1c(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cnn1-c1ccccc1C ZINC000485343080 900634276 /nfs/dbraw/zinc/63/42/76/900634276.db2.gz GFURDTVISVVLFU-QFIPXVFZSA-N 0 1 409.509 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/nfs/dbraw/zinc/70/20/46/900702046.db2.gz JWHAFEWJQDQDNJ-JOCHJYFZSA-N 0 1 410.905 4.189 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cccc(Cl)c3)CC2)c1C ZINC000485429606 900726741 /nfs/dbraw/zinc/72/67/41/900726741.db2.gz RRHOQBALTSIUMH-UHFFFAOYSA-N 0 1 401.938 4.097 20 0 HIADMN O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)Nc1ccn(-c2ccncc2)n1 ZINC000505811912 914471260 /nfs/dbraw/zinc/47/12/60/914471260.db2.gz JVUFHVRGMBLYPK-UHFFFAOYSA-N 0 1 424.530 4.032 20 0 HIADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)c3cc(Cl)ccc3F)CC2)c1C ZINC000485449250 900745057 /nfs/dbraw/zinc/74/50/57/900745057.db2.gz CMPJTVSRVJHLFK-UHFFFAOYSA-N 0 1 419.928 4.236 20 0 HIADMN Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000485459151 900754318 /nfs/dbraw/zinc/75/43/18/900754318.db2.gz WLMRPBOPLRUICE-UHFFFAOYSA-N 0 1 400.526 4.329 20 0 HIADMN Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000485459237 900754683 /nfs/dbraw/zinc/75/46/83/900754683.db2.gz XPSVXFYLLKFZCV-UHFFFAOYSA-N 0 1 416.460 4.345 20 0 HIADMN COc1ccc(C[C@@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)c2ccc(OC)cc2)cc1 ZINC000485470421 900764704 /nfs/dbraw/zinc/76/47/04/900764704.db2.gz WSEGBZUPWBOOOM-FCHUYYIVSA-N 0 1 420.513 4.088 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000485550759 900825994 /nfs/dbraw/zinc/82/59/94/900825994.db2.gz SVYAWIDBKXCZON-JQVVWYNYSA-N 0 1 403.530 4.225 20 0 HIADMN CCOc1ccc(NC(=O)CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@H](C)CC)cc1 ZINC000485675752 900926343 /nfs/dbraw/zinc/92/63/43/900926343.db2.gz ZFDPPFIFTOPEDB-QGZVFWFLSA-N 0 1 422.529 4.363 20 0 HIADMN COc1ccc(CN(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)c(Cl)c1 ZINC000485725264 900974829 /nfs/dbraw/zinc/97/48/29/900974829.db2.gz BYSCKMAVHGOYQT-OAHLLOKOSA-N 0 1 408.951 4.082 20 0 HIADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000485767987 901024954 /nfs/dbraw/zinc/02/49/54/901024954.db2.gz GMKZYKGPOWKHML-HXUWFJFHSA-N 0 1 422.554 4.273 20 0 HIADMN COc1ccc([C@@H]2CCN(Cc3nc4ccc(Br)cc4n3C)C2)cc1 ZINC000485794823 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HIADMN CC(C)N1CCc2nc(CNc3nc4cc(Br)ccc4o3)sc2C1 ZINC000485950449 901171273 /nfs/dbraw/zinc/17/12/73/901171273.db2.gz JWMVRVABPZZCBP-UHFFFAOYSA-N 0 1 407.337 4.425 20 0 HIADMN O=C(Nc1ccc(F)cc1OCCC(F)(F)F)N1CCC(c2cnc[nH]2)CC1 ZINC000505865517 914513886 /nfs/dbraw/zinc/51/38/86/914513886.db2.gz CGLOFGHBJUHJII-UHFFFAOYSA-N 0 1 400.376 4.292 20 0 HIADMN O=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1ccc(C2=CCCC2)cc1 ZINC000486026324 901232701 /nfs/dbraw/zinc/23/27/01/901232701.db2.gz FIRYOZWPLJYTTM-UHFFFAOYSA-N 0 1 416.525 4.257 20 0 HIADMN COc1cc([C@@H](C)NC(=O)c2c[nH]c3ccccc3c2=O)ccc1OCCC(C)C ZINC000486047801 901247611 /nfs/dbraw/zinc/24/76/11/901247611.db2.gz XHZOGIPMCUPPNJ-MRXNPFEDSA-N 0 1 408.498 4.453 20 0 HIADMN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000486111566 901297432 /nfs/dbraw/zinc/29/74/32/901297432.db2.gz ROCXDIMEQYFWPC-KRWDZBQOSA-N 0 1 422.982 4.276 20 0 HIADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccccc2OC[C@H]2CCCCO2)n[nH]1 ZINC000486115226 901300581 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20 0 HIADMN C[C@@H](NC(=O)c1occc1-c1ccccc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000486246130 901428408 /nfs/dbraw/zinc/42/84/08/901428408.db2.gz QVJZOBXTSMYDSG-QGZVFWFLSA-N 0 1 407.489 4.329 20 0 HIADMN O=C(c1cc2ccc(Br)cc2[nH]1)N1CCCN(Cc2ccccc2)CC1 ZINC000486249476 901432584 /nfs/dbraw/zinc/43/25/84/901432584.db2.gz JHAOULHLMCVQDG-UHFFFAOYSA-N 0 1 412.331 4.279 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)n[nH]1 ZINC000486256451 901439055 /nfs/dbraw/zinc/43/90/55/901439055.db2.gz LPZIVDVBMJGYGN-HOTGVXAUSA-N 0 1 412.538 4.073 20 0 HIADMN CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cc1 ZINC000486257105 901440801 /nfs/dbraw/zinc/44/08/01/901440801.db2.gz MLLLPSJDWMAAGU-CVEARBPZSA-N 0 1 414.554 4.463 20 0 HIADMN COc1cccc([C@H]2[C@H](NC(=O)NCc3ccc(SC)cc3)CCN2C2CC2)c1 ZINC000486319682 901497956 /nfs/dbraw/zinc/49/79/56/901497956.db2.gz KFTVJGYHGMRYAA-YADHBBJMSA-N 0 1 411.571 4.194 20 0 HIADMN CCCc1nc(C)c(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)s1 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CCOc1ccc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1F ZINC000517895202 926880278 /nfs/dbraw/zinc/88/02/78/926880278.db2.gz JCLDXILPSICJFE-UHFFFAOYSA-N 0 1 409.465 4.421 20 0 HIADMN CC1(C)CN(C(=O)NCC2(c3ccccc3)CCOCC2)CCN1Cc1ccccc1 ZINC000517917939 926890482 /nfs/dbraw/zinc/89/04/82/926890482.db2.gz UCUGSOUWYIPLLZ-UHFFFAOYSA-N 0 1 421.585 4.041 20 0 HIADMN Cc1ccc2c(=O)c(C(=O)Nc3nnc(SCc4cccs4)s3)c[n-]c2[nH+]1 ZINC000517942851 926897756 /nfs/dbraw/zinc/89/77/56/926897756.db2.gz GAMOGBVRKIYIJZ-UHFFFAOYSA-N 0 1 415.525 4.101 20 0 HIADMN CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cn1 ZINC000517946593 926898448 /nfs/dbraw/zinc/89/84/48/926898448.db2.gz YYQBRKGAGRYZAD-UHFFFAOYSA-N 0 1 405.433 4.142 20 0 HIADMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1OCc1ccc(F)cc1 ZINC000517965721 926908082 /nfs/dbraw/zinc/90/80/82/926908082.db2.gz LYDUCRGLAYKYCK-UHFFFAOYSA-N 0 1 420.419 4.259 20 0 HIADMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1OCc1ccc(F)cc1 ZINC000517965721 926908102 /nfs/dbraw/zinc/90/81/02/926908102.db2.gz LYDUCRGLAYKYCK-UHFFFAOYSA-N 0 1 420.419 4.259 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1[nH]c2ccccc2c1Br ZINC000518020880 926960240 /nfs/dbraw/zinc/96/02/40/926960240.db2.gz WNOYIVGDVQOFQJ-HNNXBMFYSA-N 0 1 402.292 4.090 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc(C(F)(F)F)cn1 ZINC000518034664 926971105 /nfs/dbraw/zinc/97/11/05/926971105.db2.gz SRTKJTBOCXIVJH-UHFFFAOYSA-N 0 1 411.855 4.396 20 0 HIADMN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000518048025 926986188 /nfs/dbraw/zinc/98/61/88/926986188.db2.gz VGEYGEDCKLJROZ-UHFFFAOYSA-N 0 1 418.906 4.134 20 0 HIADMN Cc1csc(C(C)(C)NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)n1 ZINC000518248290 927105250 /nfs/dbraw/zinc/10/52/50/927105250.db2.gz TVYHTQOPDIBNSG-UHFFFAOYSA-N 0 1 400.573 4.217 20 0 HIADMN C[C@@H](CNc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1ccc(C(F)(F)F)cc1 ZINC000518257288 927113608 /nfs/dbraw/zinc/11/36/08/927113608.db2.gz FJRYHJDNPFZWBZ-YWZLYKJASA-N 0 1 405.464 4.371 20 0 HIADMN COc1cc(OC)cc(Oc2ccc(CN[C@H](C)C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000518279115 927138040 /nfs/dbraw/zinc/13/80/40/927138040.db2.gz XRFVXKKUDQGWRR-QZTJIDSGSA-N 0 1 412.530 4.375 20 0 HIADMN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cccc(OCCC)c1 ZINC000518282112 927139310 /nfs/dbraw/zinc/13/93/10/927139310.db2.gz QYEIJFFNMJDTBY-UHFFFAOYSA-N 0 1 404.532 4.148 20 0 HIADMN CO[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1 ZINC000518381206 927231330 /nfs/dbraw/zinc/23/13/30/927231330.db2.gz MUCZTFWNWCFRBT-SFTDATJTSA-N 0 1 401.938 4.164 20 0 HIADMN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1n[nH]c2ccc(Br)cc21 ZINC000518391601 927238445 /nfs/dbraw/zinc/23/84/45/927238445.db2.gz GQVJSXPTJXBALH-IRXDYDNUSA-N 0 1 418.266 4.115 20 0 HIADMN CCCN(C(=O)NC[C@H]1CN(CC(C)C)CCO1)[C@H](C)c1cc2ccccc2o1 ZINC000518427542 927263144 /nfs/dbraw/zinc/26/31/44/927263144.db2.gz ZYUMQTVKVKLVJR-QUCCMNQESA-N 0 1 401.551 4.272 20 0 HIADMN C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000518452544 927285407 /nfs/dbraw/zinc/28/54/07/927285407.db2.gz LPUVFVZYRZEWIU-RGKFVRLKSA-N 0 1 407.558 4.029 20 0 HIADMN O=C(Nc1nnc(-c2cccc(Br)c2)s1)c1cc(-c2ccco2)n[nH]1 ZINC000518456140 927288973 /nfs/dbraw/zinc/28/89/73/927288973.db2.gz YJXDJXQOCYOBBY-UHFFFAOYSA-N 0 1 416.260 4.203 20 0 HIADMN CN(C)S(=O)(=O)c1cccc(CN(Cc2ccccc2C(F)(F)F)C2CC2)c1 ZINC000518460354 927289832 /nfs/dbraw/zinc/28/98/32/927289832.db2.gz WWZIMPBBIPXDSN-UHFFFAOYSA-N 0 1 412.477 4.120 20 0 HIADMN Cc1csc([C@H](C)NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000518530244 927329552 /nfs/dbraw/zinc/32/95/52/927329552.db2.gz VVHHYUSXIYXEAE-HNNXBMFYSA-N 0 1 406.983 4.377 20 0 HIADMN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc(Br)c1O ZINC000518544237 927337534 /nfs/dbraw/zinc/33/75/34/927337534.db2.gz BYIHSDCAAOOHEQ-UHFFFAOYSA-N 0 1 418.209 4.164 20 0 HIADMN COc1cccc(CN(C)C(=O)CN(Cc2ccc(Br)cc2)C(C)C)c1 ZINC000518598112 927371038 /nfs/dbraw/zinc/37/10/38/927371038.db2.gz FNWPZSIATLFRHZ-UHFFFAOYSA-N 0 1 419.363 4.327 20 0 HIADMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000518600521 927372021 /nfs/dbraw/zinc/37/20/21/927372021.db2.gz FFFFQQYBSMCSRL-FTJBHMTQSA-N 0 1 413.565 4.272 20 0 HIADMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000518600523 927372549 /nfs/dbraw/zinc/37/25/49/927372549.db2.gz FFFFQQYBSMCSRL-UIOOFZCWSA-N 0 1 413.565 4.272 20 0 HIADMN CN(C)[C@H](CNC(=O)c1nc2ccccc2cc1Br)c1ccc(F)cc1 ZINC000518617609 927382107 /nfs/dbraw/zinc/38/21/07/927382107.db2.gz XNZJTBWQDLCTNI-GOSISDBHSA-N 0 1 416.294 4.169 20 0 HIADMN CC1(C)CN(C2(CNC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CCCCC2)CCO1 ZINC000518694841 927438432 /nfs/dbraw/zinc/43/84/32/927438432.db2.gz FKVKUXKDUCQDFY-IRXDYDNUSA-N 0 1 404.517 4.285 20 0 HIADMN COc1ccc(CN(C(=O)NC2CCN(Cc3ccncc3)CC2)[C@@H](C)C2CC2)cc1 ZINC000518724633 927457098 /nfs/dbraw/zinc/45/70/98/927457098.db2.gz IJVZRSJYNRIHRY-IBGZPJMESA-N 0 1 422.573 4.065 20 0 HIADMN CCN(CC)[C@H](C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1)c1ccccc1 ZINC000518803743 927501737 /nfs/dbraw/zinc/50/17/37/927501737.db2.gz DVDQHIVTXYOMHH-NRFANRHFSA-N 0 1 406.486 4.257 20 0 HIADMN CC[C@H](C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1)N(C)Cc1ccccc1 ZINC000518847635 927549307 /nfs/dbraw/zinc/54/93/07/927549307.db2.gz WUDFXAUBTFFYQI-ZPZUNKDASA-N 0 1 424.585 4.339 20 0 HIADMN CC[C@H](C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1)N(C)Cc1ccccc1 ZINC000518847632 927549411 /nfs/dbraw/zinc/54/94/11/927549411.db2.gz WUDFXAUBTFFYQI-AMDXRBSFSA-N 0 1 424.585 4.339 20 0 HIADMN C[C@H](CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1)NC(=O)C1CCCCC1 ZINC000518925702 927632960 /nfs/dbraw/zinc/63/29/60/927632960.db2.gz AHYJKALKTOPWHW-OAHLLOKOSA-N 0 1 411.550 4.183 20 0 HIADMN CCN(CC)[C@H](C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)c1ccccc1 ZINC000518961111 927659804 /nfs/dbraw/zinc/65/98/04/927659804.db2.gz KSHGYUPUBYZNOE-DEOSSOPVSA-N 0 1 413.525 4.342 20 0 HIADMN Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H](c3ccccc3)N(C)C)cc2)cc1 ZINC000519051130 927727060 /nfs/dbraw/zinc/72/70/60/927727060.db2.gz QQVHNABBUHWPBQ-HSZRJFAPSA-N 0 1 417.509 4.145 20 0 HIADMN COc1ccc(COCc2cccc(NS(=O)(=O)c3c[nH]c4ncccc34)c2)cc1 ZINC000519122206 927788758 /nfs/dbraw/zinc/78/87/58/927788758.db2.gz JWLBSTILVUAMEA-UHFFFAOYSA-N 0 1 423.494 4.089 20 0 HIADMN O=C(NCc1ccncc1)Nc1cccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 ZINC000519130076 927795612 /nfs/dbraw/zinc/79/56/12/927795612.db2.gz CJYMRRGRNKEBRT-UHFFFAOYSA-N 0 1 412.453 4.046 20 0 HIADMN CC[C@H](NC(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1)c1nc(C)cs1 ZINC000519147942 927804151 /nfs/dbraw/zinc/80/41/51/927804151.db2.gz YFQRNWHQVFLAEP-HLIPFELVSA-N 0 1 416.591 4.011 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1NC(=O)c1ccncc1 ZINC000519200887 927824126 /nfs/dbraw/zinc/82/41/26/927824126.db2.gz MYIAVCATLXSHSM-UHFFFAOYSA-N 0 1 401.875 4.097 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000519207085 927828366 /nfs/dbraw/zinc/82/83/66/927828366.db2.gz MWUUEEZIUCZNGP-UHFFFAOYSA-N 0 1 414.553 4.458 20 0 HIADMN CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000519214271 927831025 /nfs/dbraw/zinc/83/10/25/927831025.db2.gz RLXLWHFDMQASAH-UHFFFAOYSA-N 0 1 410.948 4.380 20 0 HIADMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000519215597 927831120 /nfs/dbraw/zinc/83/11/20/927831120.db2.gz QTBRBWOEGHKKSO-UHFFFAOYSA-N 0 1 404.366 4.202 20 0 HIADMN CO[C@@H]1CCC[C@H](Cc2nc(-c3ccc(N4CCCN(C)CC4)c(Cl)c3)no2)C1 ZINC000519226399 927836071 /nfs/dbraw/zinc/83/60/71/927836071.db2.gz GLIXORVLUNETHN-FUHWJXTLSA-N 0 1 418.969 4.280 20 0 HIADMN O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000519256308 927849814 /nfs/dbraw/zinc/84/98/14/927849814.db2.gz JXUOZDXJKBLRJL-GOSISDBHSA-N 0 1 424.010 4.211 20 0 HIADMN Cn1nc(C(C)(C)C)cc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000519320045 927879323 /nfs/dbraw/zinc/87/93/23/927879323.db2.gz YWIAKDAESJAKHB-UHFFFAOYSA-N 0 1 402.970 4.013 20 0 HIADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000519343169 927890041 /nfs/dbraw/zinc/89/00/41/927890041.db2.gz YHSBGWPBCXPLMT-INIZCTEOSA-N 0 1 415.607 4.384 20 0 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/nfs/dbraw/zinc/15/57/36/928155736.db2.gz HVYSLWMOMSUHSU-UHFFFAOYSA-N 0 1 410.430 4.184 20 0 HIADMN Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccc(C)cc4[nH]3)cn2)n1 ZINC000519937400 928172237 /nfs/dbraw/zinc/17/22/37/928172237.db2.gz UNQWJBCVNLCCHZ-HXUWFJFHSA-N 0 1 400.486 4.046 20 0 HIADMN CCc1c(NC(=O)c2cnn(Cc3ccccc3Cl)c2)[nH]nc1-c1ccncc1 ZINC000519998360 928225646 /nfs/dbraw/zinc/22/56/46/928225646.db2.gz AKAZMAYLVZXJKL-UHFFFAOYSA-N 0 1 406.877 4.185 20 0 HIADMN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000520013011 928236264 /nfs/dbraw/zinc/23/62/64/928236264.db2.gz HXUNPPXIHVSCJK-CJNGLKHVSA-N 0 1 415.440 4.421 20 0 HIADMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)C1 ZINC000520133426 928329807 /nfs/dbraw/zinc/32/98/07/928329807.db2.gz LMLIENDQJHDEPX-UGTOYMOASA-N 0 1 417.594 4.403 20 0 HIADMN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCCCN3C[C@@H](C)O[C@@H](C)C3)c2)C1 ZINC000520133426 928329821 /nfs/dbraw/zinc/32/98/21/928329821.db2.gz LMLIENDQJHDEPX-UGTOYMOASA-N 0 1 417.594 4.403 20 0 HIADMN Cc1cnc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)s1 ZINC000520139831 928335686 /nfs/dbraw/zinc/33/56/86/928335686.db2.gz VVITZPPCYNYMJW-UHFFFAOYSA-N 0 1 401.513 4.121 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)NCc3cccc(Cl)c3Cl)CC2)cc1 ZINC000520157962 928349557 /nfs/dbraw/zinc/34/95/57/928349557.db2.gz RGXWDGGTZUZJFN-UHFFFAOYSA-N 0 1 422.356 4.420 20 0 HIADMN CCCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1ccc(F)cc1 ZINC000520174186 928364624 /nfs/dbraw/zinc/36/46/24/928364624.db2.gz XQSBYMJJXRNFCP-UHFFFAOYSA-N 0 1 422.548 4.216 20 0 HIADMN CCOc1ccc(CN(CC(=O)Nc2ccnn2Cc2cccs2)C(C)C)cc1 ZINC000520174585 928366861 /nfs/dbraw/zinc/36/68/61/928366861.db2.gz PYOBLLYSWKPKLA-UHFFFAOYSA-N 0 1 412.559 4.241 20 0 HIADMN C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNCc3cnc(C(C)(C)C)s3)cc2)C1 ZINC000520211476 928391171 /nfs/dbraw/zinc/39/11/71/928391171.db2.gz RDRWCBYDYWWEEU-MRXNPFEDSA-N 0 1 421.632 4.151 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(NC(=O)[C@H]4C[C@H]4C)c3)[nH]c2c1 ZINC000520309500 928472219 /nfs/dbraw/zinc/47/22/19/928472219.db2.gz LCQZKVRHTMFXQP-YWMUFLPLSA-N 0 1 402.498 4.443 20 0 HIADMN O=C(NCCCCOc1ccc(F)cc1)c1n[nH]c2ccc(Br)cc21 ZINC000520311839 928473789 /nfs/dbraw/zinc/47/37/89/928473789.db2.gz ZAUUXPDOVHPZGD-UHFFFAOYSA-N 0 1 406.255 4.054 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)C)ccc1C ZINC000520354569 928516212 /nfs/dbraw/zinc/51/62/12/928516212.db2.gz CYJMAKACJNCJMB-LJQANCHMSA-N 0 1 416.543 4.065 20 0 HIADMN COc1ccc(NC(=O)[C@@H](NCCc2cccc(OC)c2OC)c2ccccc2)cc1 ZINC000520403847 928548711 /nfs/dbraw/zinc/54/87/11/928548711.db2.gz LCFQEFLYJNTVKA-QHCPKHFHSA-N 0 1 420.509 4.225 20 0 HIADMN CN(C)C[C@H](NC(=O)C(=O)Nc1ccc2oc3ccccc3c2c1)c1ccc(F)cc1 ZINC000520447359 928570543 /nfs/dbraw/zinc/57/05/43/928570543.db2.gz DXOORYKKGXIYHM-FQEVSTJZSA-N 0 1 419.456 4.083 20 0 HIADMN O=S(=O)(Cc1c(Cl)cccc1Cl)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000520517346 928613618 /nfs/dbraw/zinc/61/36/18/928613618.db2.gz JCXNYQVHFLGCLE-IBGZPJMESA-N 0 1 413.370 4.250 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2C)c1 ZINC000520563983 928643172 /nfs/dbraw/zinc/64/31/72/928643172.db2.gz NNSYLFCWFSBOEM-CXAGYDPISA-N 0 1 422.934 4.068 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000520563986 928643477 /nfs/dbraw/zinc/64/34/77/928643477.db2.gz NNSYLFCWFSBOEM-SUMWQHHRSA-N 0 1 422.934 4.068 20 0 HIADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 ZINC000520593166 928659060 /nfs/dbraw/zinc/65/90/60/928659060.db2.gz RGBYXHJGTHWAQC-UHFFFAOYSA-N 0 1 414.815 4.117 20 0 HIADMN CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000520615063 928675021 /nfs/dbraw/zinc/67/50/21/928675021.db2.gz HRALWNUQWGUORV-OAQYLSRUSA-N 0 1 403.530 4.382 20 0 HIADMN Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)cc1 ZINC000520629879 928685164 /nfs/dbraw/zinc/68/51/64/928685164.db2.gz LJZTYOFCELJVAX-INIZCTEOSA-N 0 1 414.465 4.421 20 0 HIADMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)C1CCCCC1 ZINC000520630567 928686902 /nfs/dbraw/zinc/68/69/02/928686902.db2.gz MAXYBKBFJUVFGG-UHFFFAOYSA-N 0 1 424.570 4.438 20 0 HIADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCc2ccccc2C1 ZINC000520646307 928698140 /nfs/dbraw/zinc/69/81/40/928698140.db2.gz RFWWGUVNHAZXJQ-UIAACRFSSA-N 0 1 402.460 4.372 20 0 HIADMN Cc1ccc(CN2C(=O)CC[C@@H]2c2nc(-c3ccc(F)c(CN(C)C)c3)no2)cc1 ZINC000520655890 928703521 /nfs/dbraw/zinc/70/35/21/928703521.db2.gz AAYBEOKWRPIYLS-HXUWFJFHSA-N 0 1 408.477 4.109 20 0 HIADMN Cc1c(Cl)cc(NC(=O)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1Cl ZINC000520660632 928706090 /nfs/dbraw/zinc/70/60/90/928706090.db2.gz ARZMEPWCFQCIRB-HOCLYGCPSA-N 0 1 420.340 4.192 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(OCC(F)(F)F)c1 ZINC000520679033 928725462 /nfs/dbraw/zinc/72/54/62/928725462.db2.gz JCDFUZPMSMDMSX-LBPRGKRZSA-N 0 1 401.406 4.060 20 0 HIADMN CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000520691158 928738943 /nfs/dbraw/zinc/73/89/43/928738943.db2.gz CQJLERRMNZXAKT-QHCPKHFHSA-N 0 1 409.574 4.354 20 0 HIADMN Cn1cccc1[C@H]1CCCN1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000520726138 928776168 /nfs/dbraw/zinc/77/61/68/928776168.db2.gz GPGCBYKSELAMNV-JOCHJYFZSA-N 0 1 414.981 4.437 20 0 HIADMN COc1ccc(-c2n[nH]c(CNC(=O)C(C)(C)c3ccc(OCC(C)C)cc3)n2)cc1 ZINC000520767496 928807619 /nfs/dbraw/zinc/80/76/19/928807619.db2.gz RYDMLEMVDSPJRX-UHFFFAOYSA-N 0 1 422.529 4.109 20 0 HIADMN COc1ccc(-c2nc(CNC(=O)C(C)(C)c3ccc(OCC(C)C)cc3)n[nH]2)cc1 ZINC000520767496 928807627 /nfs/dbraw/zinc/80/76/27/928807627.db2.gz RYDMLEMVDSPJRX-UHFFFAOYSA-N 0 1 422.529 4.109 20 0 HIADMN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000520832234 928836761 /nfs/dbraw/zinc/83/67/61/928836761.db2.gz IJHLWEVBEIKWEW-UHFFFAOYSA-N 0 1 412.424 4.323 20 0 HIADMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)[nH]n1 ZINC000520898384 928865250 /nfs/dbraw/zinc/86/52/50/928865250.db2.gz PUJGKTRPDDMYTH-UHFFFAOYSA-N 0 1 418.526 4.292 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2-c2ccccc2)N(C)C)cc1 ZINC000520907040 928868540 /nfs/dbraw/zinc/86/85/40/928868540.db2.gz ZKSPLNDSRKBXOS-HSZRJFAPSA-N 0 1 401.510 4.020 20 0 HIADMN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000520908677 928869216 /nfs/dbraw/zinc/86/92/16/928869216.db2.gz AURLRKNFUQXXGQ-QFIPXVFZSA-N 0 1 420.601 4.209 20 0 HIADMN O=S(=O)(NCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccc1 ZINC000520965729 928893298 /nfs/dbraw/zinc/89/32/98/928893298.db2.gz XIVQTAIYBQIRNZ-UHFFFAOYSA-N 0 1 424.444 4.034 20 0 HIADMN Cc1cc(Br)ccc1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000520971373 928895956 /nfs/dbraw/zinc/89/59/56/928895956.db2.gz OIIJIAYNXBDACC-UHFFFAOYSA-N 0 1 422.754 4.415 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CC[C@@H](Nc3ccccc3)C2)N2CCCCC2)cc1 ZINC000520985867 928903778 /nfs/dbraw/zinc/90/37/78/928903778.db2.gz BEUDGPFPCHXOBR-ISKFKSNPSA-N 0 1 422.573 4.118 20 0 HIADMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2noc(Cc3ccccc3)n2)n1 ZINC000520997532 928915581 /nfs/dbraw/zinc/91/55/81/928915581.db2.gz IDXRJQMQCMARSN-UHFFFAOYSA-N 0 1 413.890 4.400 20 0 HIADMN O=C(NCc1ccccc1Br)c1n[nH]c2ccc(Br)cc21 ZINC000521105749 928998272 /nfs/dbraw/zinc/99/82/72/928998272.db2.gz XVKVZDWUCKEVAG-UHFFFAOYSA-N 0 1 409.081 4.018 20 0 HIADMN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000521107411 928999235 /nfs/dbraw/zinc/99/92/35/928999235.db2.gz QXSSIFONXVNUIG-BVZFJXPGSA-N 0 1 412.549 4.205 20 0 HIADMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c2n[nH]cc21 ZINC000521144076 929022250 /nfs/dbraw/zinc/02/22/50/929022250.db2.gz OZBQRSFBBUZVAF-UHFFFAOYSA-N 0 1 424.457 4.064 20 0 HIADMN COc1cc2c(cc1OC)CCN([C@@H](C)c1nc(-c3ccc(C)c(F)c3)no1)CC2 ZINC000521197896 929056651 /nfs/dbraw/zinc/05/66/51/929056651.db2.gz QDYLROLYBXEHSR-HNNXBMFYSA-N 0 1 411.477 4.363 20 0 HIADMN CCOC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000521221919 929067486 /nfs/dbraw/zinc/06/74/86/929067486.db2.gz BOAIOJVFDYNFMR-KRWDZBQOSA-N 0 1 419.481 4.340 20 0 HIADMN O=C(Cc1n[nH]c2ccccc21)Nc1nc(-c2ccccc2OC(F)F)cs1 ZINC000521268775 929090975 /nfs/dbraw/zinc/09/09/75/929090975.db2.gz RMKYWSXCBFFKOY-UHFFFAOYSA-N 0 1 400.410 4.469 20 0 HIADMN CN(Cc1ccc(Cl)s1)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000521301146 929111409 /nfs/dbraw/zinc/11/14/09/929111409.db2.gz JBBDDSPUFWGFFC-UHFFFAOYSA-N 0 1 414.015 4.357 20 0 HIADMN Cc1csc(Sc2ccc(NC(=O)N3CCN(CC4CC4)CC3)c(C)c2)n1 ZINC000521304713 929112970 /nfs/dbraw/zinc/11/29/70/929112970.db2.gz DWZBAJXETFZXOB-UHFFFAOYSA-N 0 1 402.589 4.471 20 0 HIADMN C[C@H](Oc1ccccc1NC(=O)NCCc1nnc(-c2ccccc2)[nH]1)C(F)(F)F ZINC000521311045 929120157 /nfs/dbraw/zinc/12/01/57/929120157.db2.gz QITQACNSDONHED-ZDUSSCGKSA-N 0 1 419.407 4.166 20 0 HIADMN C[C@H](NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1nccc2ccccc21 ZINC000521320337 929134807 /nfs/dbraw/zinc/13/48/07/929134807.db2.gz PNYUIPRKZPETMG-KRWDZBQOSA-N 0 1 414.509 4.455 20 0 HIADMN COc1ccc(C[C@H]2CCCN(CC(=O)N[C@H](c3ccc(OC)cc3)C3CC3)C2)cc1 ZINC000521323522 929136959 /nfs/dbraw/zinc/13/69/59/929136959.db2.gz VGGRYTIKVHNOMA-IBVKSMDESA-N 0 1 422.569 4.226 20 0 HIADMN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 ZINC000521330921 929145802 /nfs/dbraw/zinc/14/58/02/929145802.db2.gz LFIFUHFIVFSCNQ-HXUWFJFHSA-N 0 1 409.461 4.046 20 0 HIADMN Cc1ccc(OC2CCN([C@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1C ZINC000521425353 929216565 /nfs/dbraw/zinc/21/65/65/929216565.db2.gz XPIDZVZXGBKVEP-HXUWFJFHSA-N 0 1 419.569 4.375 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)N1CCC(OCCC(C)C)CC1)N1CCCC1 ZINC000521450861 929227431 /nfs/dbraw/zinc/22/74/31/929227431.db2.gz OJBKFUVJMCCARC-JOCHJYFZSA-N 0 1 417.594 4.069 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccco1 ZINC000521461825 929230502 /nfs/dbraw/zinc/23/05/02/929230502.db2.gz LHVQARUMUVTRQW-FQEVSTJZSA-N 0 1 412.534 4.110 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1)c1ccco1 ZINC000521461909 929233154 /nfs/dbraw/zinc/23/31/54/929233154.db2.gz PZIACXCREJKXDU-QUCCMNQESA-N 0 1 415.534 4.350 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccco1 ZINC000521487805 929246306 /nfs/dbraw/zinc/24/63/06/929246306.db2.gz FQKZZWSPRFDPLK-KRWDZBQOSA-N 0 1 404.308 4.336 20 0 HIADMN O=C(Cn1ccc(=O)c2ccccc21)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000521493480 929250685 /nfs/dbraw/zinc/25/06/85/929250685.db2.gz QUYSDCWGDIWGRE-UHFFFAOYSA-N 0 1 421.460 4.092 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccco1 ZINC000521509510 929261860 /nfs/dbraw/zinc/26/18/60/929261860.db2.gz JGXPOBAEYAWVAL-WMLDXEAASA-N 0 1 419.476 4.468 20 0 HIADMN CC1(C)OCc2cc(CN3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)ccc2O1 ZINC000521514143 929267975 /nfs/dbraw/zinc/26/79/75/929267975.db2.gz LYHKHWDTWVQFRI-QGZVFWFLSA-N 0 1 408.420 4.399 20 0 HIADMN CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000521567516 929301205 /nfs/dbraw/zinc/30/12/05/929301205.db2.gz ROXZXKIDGHPFQN-ZEQRLZLVSA-N 0 1 423.601 4.072 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CCN(Cc1cc(O)ccc1Br)CC1CCN(c2ccccn2)CC1 ZINC000538719834 938690025 /nfs/dbraw/zinc/69/00/25/938690025.db2.gz LXSCKHDTTNOVKS-UHFFFAOYSA-N 0 1 404.352 4.288 20 0 HIADMN CCOCc1cc(CN(C)[C@H](CO)c2cccc(Br)c2)ccc1OC ZINC000538722102 938691027 /nfs/dbraw/zinc/69/10/27/938691027.db2.gz XQPHBWVKMSQVFL-LJQANCHMSA-N 0 1 408.336 4.160 20 0 HIADMN CC(C)c1nc(CN(C)[C@@H]2CCN(Cc3cnc(-c4ccsc4)s3)C2)no1 ZINC000538722945 938691418 /nfs/dbraw/zinc/69/14/18/938691418.db2.gz BLDKGLUJXUWIKC-OAHLLOKOSA-N 0 1 403.577 4.084 20 0 HIADMN COc1ccc(C(=O)Nc2cccc(CN(C)[C@@H](CO)c3ccc(OC)cc3)c2)cc1 ZINC000538726872 938693342 /nfs/dbraw/zinc/69/33/42/938693342.db2.gz CJQJVYVTKQOUNW-DEOSSOPVSA-N 0 1 420.509 4.122 20 0 HIADMN CCOc1cc(CN(C)[C@@H](CO)c2ccc(OC)cc2)cc(Br)c1OC ZINC000538726957 938693491 /nfs/dbraw/zinc/69/34/91/938693491.db2.gz IUMRHNSOYIRRRW-SFHVURJKSA-N 0 1 424.335 4.030 20 0 HIADMN Cc1nn(C)c(N2CCOCC2)c1CN1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000538737219 938696829 /nfs/dbraw/zinc/69/68/29/938696829.db2.gz 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CC(=O)Nc1cccc([C@@H](C)NCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000539233807 938822923 /nfs/dbraw/zinc/82/29/23/938822923.db2.gz NNGKYFYGNGONSJ-QGZVFWFLSA-N 0 1 415.493 4.165 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000539234542 938823049 /nfs/dbraw/zinc/82/30/49/938823049.db2.gz UNKCEWGNQRQQET-HNNXBMFYSA-N 0 1 408.889 4.277 20 0 HIADMN CCC[C@@H](NCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1)c1ccccc1 ZINC000539242452 938824465 /nfs/dbraw/zinc/82/44/65/938824465.db2.gz NSFMLTKAYKVMLR-LJQANCHMSA-N 0 1 414.575 4.224 20 0 HIADMN COc1cc([C@H](C)NCC(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1OC(C)C ZINC000539251556 938826050 /nfs/dbraw/zinc/82/60/50/938826050.db2.gz WABLAUMVPULVPR-DLBZAZTESA-N 0 1 402.510 4.492 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1cccc(OCc2ccccn2)c1 ZINC000539252273 938826336 /nfs/dbraw/zinc/82/63/36/938826336.db2.gz JUPCRSDYRSUGMQ-SFHVURJKSA-N 0 1 401.510 4.439 20 0 HIADMN COc1cc([C@@H](C)N[C@H](C)C(=O)Nc2cc(C)no2)ccc1OCc1ccccc1 ZINC000539252392 938826551 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CSC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000429289767 857593798 /nfs/dbraw/zinc/59/37/98/857593798.db2.gz YRAJOOYKUPCERF-HZPDHXFCSA-N 0 1 417.600 4.402 20 0 HIADMN CCC1(CC)[C@H](NCc2csc(CC(=O)Nc3ccccc3)n2)[C@@H](C)[C@@H]1OC ZINC000429319241 857602522 /nfs/dbraw/zinc/60/25/22/857602522.db2.gz UHQSHWUUBFKCLT-LPTQZCDUSA-N 0 1 401.576 4.254 20 0 HIADMN Fc1ccc(C[C@H](NCc2cn3ccsc3n2)[C@H]2COc3ccccc3O2)cc1 ZINC000429378813 857632683 /nfs/dbraw/zinc/63/26/83/857632683.db2.gz IMMRMGGRSOKLIP-GHTZIAJQSA-N 0 1 409.486 4.076 20 0 HIADMN COCCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc3cc(Cl)ccc3o2)cc1 ZINC000429424179 857659001 /nfs/dbraw/zinc/65/90/01/857659001.db2.gz KHWXWALJPKWINB-AWEZNQCLSA-N 0 1 407.919 4.357 20 0 HIADMN COCCS(=O)(=O)c1ccc(CN[C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000429429952 857662045 /nfs/dbraw/zinc/66/20/45/857662045.db2.gz WPPSKPURQNGEFG-SFHVURJKSA-N 0 1 414.354 4.191 20 0 HIADMN Cc1c([C@H](C)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)nnn1-c1ccc(Cl)cc1 ZINC000429433974 857664862 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CC(=O)Nc1cccc(NC(=O)CNC2(c3ccc(Br)cc3)CCC2)c1 ZINC000438728292 864211521 /nfs/dbraw/zinc/21/15/21/864211521.db2.gz ZXDWFWVETBMIPG-UHFFFAOYSA-N 0 1 416.319 4.015 20 0 HIADMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438761486 864255794 /nfs/dbraw/zinc/25/57/94/864255794.db2.gz ATWKQEZSHPSFMO-UHFFFAOYSA-N 0 1 424.238 4.363 20 0 HIADMN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438771955 864268042 /nfs/dbraw/zinc/26/80/42/864268042.db2.gz OJDKUAONOACCSC-UHFFFAOYSA-N 0 1 406.248 4.315 20 0 HIADMN O=S(=O)(Nc1ccc(F)cc1OC(F)F)c1ccc(F)c(Br)c1 ZINC000438778498 864273016 /nfs/dbraw/zinc/27/30/16/864273016.db2.gz ZYWCFZPRBWPCQM-UHFFFAOYSA-N 0 1 414.174 4.130 20 0 HIADMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(C)C)c(Br)c1 ZINC000438799902 864291180 /nfs/dbraw/zinc/29/11/80/864291180.db2.gz JOKKHYCIOIVCNY-UHFFFAOYSA-N 0 1 412.305 4.160 20 0 HIADMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)cs1 ZINC000438801016 864292195 /nfs/dbraw/zinc/29/21/95/864292195.db2.gz JRAAJBANPFVBQH-UHFFFAOYSA-N 0 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ZINC000438863785 864356548 /nfs/dbraw/zinc/35/65/48/864356548.db2.gz YMPVJTJVOZLHIQ-IBGZPJMESA-N 0 1 424.589 4.283 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000438866674 864360202 /nfs/dbraw/zinc/36/02/02/864360202.db2.gz VTYNQXSOEMAIGY-ZFJSRUIDSA-N 0 1 406.574 4.318 20 0 HIADMN COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)N2CCCCC2)cc1 ZINC000438879234 864368317 /nfs/dbraw/zinc/36/83/17/864368317.db2.gz ZVYDRGZQPLROGO-KYPHJKQUSA-N 0 1 404.554 4.243 20 0 HIADMN COc1ccc2cc(CNC(=O)NC3CCN([C@H](C)c4ccncc4)CC3)ccc2c1 ZINC000438967387 864434476 /nfs/dbraw/zinc/43/44/76/864434476.db2.gz MQDYNRSLVJAWIC-GOSISDBHSA-N 0 1 418.541 4.268 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000438980055 864443883 /nfs/dbraw/zinc/44/38/83/864443883.db2.gz ZPCZYHPNSBTFBW-JKSUJKDBSA-N 0 1 418.488 4.269 20 0 HIADMN O=C(Cc1nc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cs1)Nc1ccccc1 ZINC000438991685 864450426 /nfs/dbraw/zinc/45/04/26/864450426.db2.gz 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CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)n2)cc1 ZINC000439034526 864491796 /nfs/dbraw/zinc/49/17/96/864491796.db2.gz RNZSOYAQLQTXFE-LVCYWYKZSA-N 0 1 410.562 4.179 20 0 HIADMN CO[C@@H](C)c1nc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)cs1 ZINC000439177283 864606207 /nfs/dbraw/zinc/60/62/07/864606207.db2.gz KSLKCYYSXHXEMW-KSSFIOAISA-N 0 1 422.982 4.140 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC(OC3CCCCC3)CC2)CC1 ZINC000439186419 864614291 /nfs/dbraw/zinc/61/42/91/864614291.db2.gz BSAQCHQJBFAUIY-LJQANCHMSA-N 0 1 414.594 4.130 20 0 HIADMN C[C@@H](N(C)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1)C1(C)CC1 ZINC000439188391 864615997 /nfs/dbraw/zinc/61/59/97/864615997.db2.gz QEIFKSBFQNDRFQ-OAQYLSRUSA-N 0 1 420.601 4.339 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000439187389 864616012 /nfs/dbraw/zinc/61/60/12/864616012.db2.gz DXIDPCIJRSKUMD-RYRKJORJSA-N 0 1 412.500 4.275 20 0 HIADMN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 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KVNLEDUKFSYGMR-KRWDZBQOSA-N 0 1 400.954 4.492 20 0 HIADMN C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000439199250 864624779 /nfs/dbraw/zinc/62/47/79/864624779.db2.gz NIWQFNHZZVEPOC-MBSDFSHPSA-N 0 1 410.537 4.163 20 0 HIADMN CC[C@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc(F)cc1F ZINC000439202980 864627847 /nfs/dbraw/zinc/62/78/47/864627847.db2.gz WQTXVAOQOXTZIY-VFNWGFHPSA-N 0 1 402.489 4.336 20 0 HIADMN COc1ccc(C2CCN(C(=O)NC3CCN([C@@H](C)c4ccncc4)CC3)CC2)cc1 ZINC000439204727 864629552 /nfs/dbraw/zinc/62/95/52/864629552.db2.gz KKGFOKIHQONUIS-IBGZPJMESA-N 0 1 422.573 4.205 20 0 HIADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439205083 864629587 /nfs/dbraw/zinc/62/95/87/864629587.db2.gz LNNRPNILXINLHW-CVEARBPZSA-N 0 1 402.489 4.288 20 0 HIADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000439211127 864633291 /nfs/dbraw/zinc/63/32/91/864633291.db2.gz NFKQQJVSOOICDP-DVECYGJZSA-N 0 1 415.541 4.091 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000439253066 864670136 /nfs/dbraw/zinc/67/01/36/864670136.db2.gz AVUCUNNFJPIHCA-ZACQAIPSSA-N 0 1 401.473 4.475 20 0 HIADMN CC[C@@](C)(O)CN(Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccccc1 ZINC000439263644 864678816 /nfs/dbraw/zinc/67/88/16/864678816.db2.gz YHBHCSOXBMGITA-XMMPIXPASA-N 0 1 408.498 4.291 20 0 HIADMN Cc1nc(-c2ccc(C)cc2NC(=O)CN2CC[C@H](c3ccccc3)C[C@@H]2C)n[nH]1 ZINC000439312428 864744774 /nfs/dbraw/zinc/74/47/74/864744774.db2.gz CDZBODVADJRASF-PXNSSMCTSA-N 0 1 403.530 4.295 20 0 HIADMN Cc1coc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3Br)c2)n1 ZINC000467929179 881803430 /nfs/dbraw/zinc/80/34/30/881803430.db2.gz YOHZQBZRXZIQFF-UHFFFAOYSA-N 0 1 411.252 4.352 20 0 HIADMN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2)cc1 ZINC000439391764 864816233 /nfs/dbraw/zinc/81/62/33/864816233.db2.gz FPVGCVTZWZDFLX-VQTJNVASSA-N 0 1 424.589 4.428 20 0 HIADMN CCOC(=O)c1sc2cccc(F)c2c1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000439434817 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JUGSLZFOZUGOHY-UHFFFAOYSA-N 0 1 415.537 4.323 20 0 HIADMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000439557038 864882579 /nfs/dbraw/zinc/88/25/79/864882579.db2.gz KAUYEQJXNKJZMV-HZPDHXFCSA-N 0 1 423.454 4.232 20 0 HIADMN CC(=O)Nc1cccc(C(=O)Nc2cccc(NC(=O)CN3CCCCCC3)c2)c1C ZINC000467942149 881812706 /nfs/dbraw/zinc/81/27/06/881812706.db2.gz GZKFEFRJSUBFQG-UHFFFAOYSA-N 0 1 422.529 4.020 20 0 HIADMN O=C(Nc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1)c1cccs1 ZINC000439564695 864889521 /nfs/dbraw/zinc/88/95/21/864889521.db2.gz CBTUMHKMWWCUBD-UHFFFAOYSA-N 0 1 415.521 4.411 20 0 HIADMN CCN(CC)[C@H](C(=O)NCc1cn2ccc(C)cc2n1)c1cccc(C(F)(F)F)c1 ZINC000467963256 881823212 /nfs/dbraw/zinc/82/32/12/881823212.db2.gz DDYRQHPODSPTED-FQEVSTJZSA-N 0 1 418.463 4.361 20 0 HIADMN CCN(CC)[C@@H](C(=O)NCc1cn2ccc(C)cc2n1)c1cccc(C(F)(F)F)c1 ZINC000467963257 881823567 /nfs/dbraw/zinc/82/35/67/881823567.db2.gz DDYRQHPODSPTED-HXUWFJFHSA-N 0 1 418.463 4.361 20 0 HIADMN 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COc1cc(CNCc2c3c(nn2C)CCCC3)ccc1OCc1ccc(F)cc1 ZINC000462867361 875897540 /nfs/dbraw/zinc/89/75/40/875897540.db2.gz HZJWRXRUGTWSNC-UHFFFAOYSA-N 0 1 409.505 4.315 20 0 HIADMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000462877172 875905780 /nfs/dbraw/zinc/90/57/80/875905780.db2.gz GKPPRLULZMNYCJ-IBGZPJMESA-N 0 1 415.459 4.436 20 0 HIADMN COc1ccc(NC(=O)[C@H](C)CC(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000462913222 875938638 /nfs/dbraw/zinc/93/86/38/875938638.db2.gz UADODJVNBAIXNV-CQSZACIVSA-N 0 1 408.495 4.256 20 0 HIADMN C[C@H](NCc1c[nH]nc1C(C)(C)C)c1ccc(Br)cc1OCCCO ZINC000463030423 876050689 /nfs/dbraw/zinc/05/06/89/876050689.db2.gz VMDUYWNQBPLGAC-ZDUSSCGKSA-N 0 1 410.356 4.082 20 0 HIADMN Cc1nn(C(C)C)cc1CN[C@H](C)c1ccc(Br)cc1OCCCO ZINC000463030997 876050815 /nfs/dbraw/zinc/05/08/15/876050815.db2.gz WOKLQKJORUSVEY-OAHLLOKOSA-N 0 1 410.356 4.147 20 0 HIADMN C[C@@H](NCc1scnc1C1CC1)c1ccc(Br)cc1OCCCO ZINC000463036192 876057844 /nfs/dbraw/zinc/05/78/44/876057844.db2.gz KKSPTYIUNZQEMU-GFCCVEGCSA-N 0 1 411.365 4.395 20 0 HIADMN COCc1cccc(CN[C@@H](C)c2ccc(Br)cc2OCCCO)c1 ZINC000463045329 876072207 /nfs/dbraw/zinc/07/22/07/876072207.db2.gz VFZVBUKHMNCGAF-HNNXBMFYSA-N 0 1 408.336 4.208 20 0 HIADMN COc1cc2c(cc1OC)CCN(Cc1nc3ccc(Br)cc3o1)CC2 ZINC000463076686 876107354 /nfs/dbraw/zinc/10/73/54/876107354.db2.gz XZLHTFNGMNDMPY-UHFFFAOYSA-N 0 1 417.303 4.208 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3SCCc4sccc43)cc2)C[C@@H](C)O1 ZINC000463107221 876144632 /nfs/dbraw/zinc/14/46/32/876144632.db2.gz QCURFFBLNRYCSI-ZOCZFRKYSA-N 0 1 416.612 4.004 20 0 HIADMN OCCN(Cc1nc2ccc(Br)cc2o1)[C@@H]1CCCc2ccccc21 ZINC000463110332 876149885 /nfs/dbraw/zinc/14/98/85/876149885.db2.gz VLMSYBYBOSNSGE-GOSISDBHSA-N 0 1 401.304 4.462 20 0 HIADMN FC(F)(F)CN1CC[C@@H](c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)C1 ZINC000463169704 876224973 /nfs/dbraw/zinc/22/49/73/876224973.db2.gz DADULTVLRHTYCU-LLVKDONJSA-N 0 1 420.420 4.088 20 0 HIADMN O=C(Nc1nnc(-c2ccccc2)s1)c1cn[nH]c1-c1cccc(OC(F)F)c1 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417.550 4.293 20 0 HIADMN COC(=O)c1ccc(OCCSc2nc(C=Cc3ccc(C)o3)n[nH]2)c(Cl)c1 ZINC000463267250 876324612 /nfs/dbraw/zinc/32/46/12/876324612.db2.gz QLJGPHIXEHVETK-VURMDHGXSA-N 0 1 419.890 4.488 20 0 HIADMN CCOc1c(F)cccc1C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000463293574 876353145 /nfs/dbraw/zinc/35/31/45/876353145.db2.gz KWQYGIXOPDNJCY-FQEVSTJZSA-N 0 1 400.494 4.190 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)[C@H]1SCCc2ccccc21)N1CCCCC1 ZINC000463295215 876356556 /nfs/dbraw/zinc/35/65/56/876356556.db2.gz YQQCLXFRDUCJFD-GMAHTHKFSA-N 0 1 410.583 4.369 20 0 HIADMN Cc1nc(-c2cccc(NC(=O)c3cn[nH]c3-c3cccc(OC(F)F)c3)c2)n[nH]1 ZINC000463296614 876358057 /nfs/dbraw/zinc/35/80/57/876358057.db2.gz VPCYKFPJBRHASX-UHFFFAOYSA-N 0 1 410.384 4.024 20 0 HIADMN O=C(c1[nH]nc2ccc(I)cc21)N(Cc1cccs1)C1CC1 ZINC000463306933 876366323 /nfs/dbraw/zinc/36/63/23/876366323.db2.gz JACRAGZAVQUEFT-UHFFFAOYSA-N 0 1 423.279 4.034 20 0 HIADMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000463367972 876423239 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0 HIADMN C[C@H](CNC(=O)[C@H](C)c1ccc(Br)s1)N1CCc2ccccc2C1 ZINC000463413038 876466837 /nfs/dbraw/zinc/46/68/37/876466837.db2.gz GGTVLAUMOQFALF-ZIAGYGMSSA-N 0 1 407.377 4.177 20 0 HIADMN C[C@H](CNC(=O)[C@@H](C)c1ccc(Br)s1)N1CCc2ccccc2C1 ZINC000463413036 876467013 /nfs/dbraw/zinc/46/70/13/876467013.db2.gz GGTVLAUMOQFALF-KGLIPLIRSA-N 0 1 407.377 4.177 20 0 HIADMN C[C@@H](NC(=O)CN1CCC[C@@](CO)(Cc2ccccc2)C1)c1ccc2ccccc2c1 ZINC000463430503 876485689 /nfs/dbraw/zinc/48/56/89/876485689.db2.gz NUDZAYLETAJSBN-JIPXPUAJSA-N 0 1 416.565 4.334 20 0 HIADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1SCCc2ccccc21 ZINC000463433822 876489130 /nfs/dbraw/zinc/48/91/30/876489130.db2.gz YOIJJDQKPFPKNF-NRFANRHFSA-N 0 1 400.975 4.451 20 0 HIADMN CCN(C(=O)CN1CCC[C@@](CO)(Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000463436217 876491492 /nfs/dbraw/zinc/49/14/92/876491492.db2.gz LUMJTSMLZRXPQH-CJFMBICVSA-N 0 1 412.549 4.052 20 0 HIADMN CCOC(=O)c1sc2cccc(F)c2c1CN1CC[C@@](CO)(c2ccccc2)C1 ZINC000463440000 876497318 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O=C(CCCOc1cccnc1)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000463753483 876876403 /nfs/dbraw/zinc/87/64/03/876876403.db2.gz WOXAPSATOUWQIQ-HXUWFJFHSA-N 0 1 401.938 4.065 20 0 HIADMN COc1ccc2c(c1)CCC[C@H]2CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000463811373 876926443 /nfs/dbraw/zinc/92/64/43/876926443.db2.gz RWBDOHUNPJMXQM-NQIIRXRSSA-N 0 1 422.573 4.035 20 0 HIADMN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000463891065 877012072 /nfs/dbraw/zinc/01/20/72/877012072.db2.gz IAXNPEQJXBXPSW-CVEARBPZSA-N 0 1 404.532 4.051 20 0 HIADMN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000463891168 877013743 /nfs/dbraw/zinc/01/37/43/877013743.db2.gz IAXNPEQJXBXPSW-JKSUJKDBSA-N 0 1 404.532 4.051 20 0 HIADMN CC[C@@H](C)C[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C ZINC000463895704 877018395 /nfs/dbraw/zinc/01/83/95/877018395.db2.gz IBKBGPIWNWMDKK-WBVHZDCISA-N 0 1 418.559 4.359 20 0 HIADMN Cc1[nH]c(SCC(=O)NC[C@H](C)Oc2ccccc2F)nc1Cc1ccccc1 ZINC000463947281 877067603 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C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc(Br)cn1 ZINC000477783462 892865433 /nfs/dbraw/zinc/86/54/33/892865433.db2.gz YMRMNRPKZLEKJP-KXBFYZLASA-N 0 1 402.336 4.076 20 0 HIADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000477823555 892889557 /nfs/dbraw/zinc/88/95/57/892889557.db2.gz UZVNVRSWRFKJKT-LEOXJPRUSA-N 0 1 419.525 4.037 20 0 HIADMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ncc(-c2ccccc2Br)o1 ZINC000477838553 892898100 /nfs/dbraw/zinc/89/81/00/892898100.db2.gz RHWBIBUHUJKWHI-WQVCFCJDSA-N 0 1 405.292 4.322 20 0 HIADMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)ccc1S(C)(=O)=O ZINC000477924380 893011658 /nfs/dbraw/zinc/01/16/58/893011658.db2.gz RELJDENBCGGQEQ-QWHCGFSZSA-N 0 1 417.449 4.409 20 0 HIADMN Cc1c([C@@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000477927854 893015470 /nfs/dbraw/zinc/01/54/70/893015470.db2.gz PZZNWQMFDFBDES-UZUQRXQVSA-N 0 1 406.505 4.080 20 0 HIADMN COC(=O)CCSCc1cccc(NS(=O)(=O)c2ccc(C)cc2Cl)c1 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Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000478307939 893530221 /nfs/dbraw/zinc/53/02/21/893530221.db2.gz DIVDZYUWGMJOSQ-SUMWQHHRSA-N 0 1 412.515 4.326 20 0 HIADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)c1 ZINC000478328498 893560685 /nfs/dbraw/zinc/56/06/85/893560685.db2.gz IUBWMQVEOCOSDW-UHFFFAOYSA-N 0 1 413.282 4.226 20 0 HIADMN CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000478341476 893585254 /nfs/dbraw/zinc/58/52/54/893585254.db2.gz LKKNIAYXIQIOLV-UHFFFAOYSA-N 0 1 414.513 4.178 20 0 HIADMN CCc1nn(C)c(CC)c1CC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000478341476 893585274 /nfs/dbraw/zinc/58/52/74/893585274.db2.gz LKKNIAYXIQIOLV-UHFFFAOYSA-N 0 1 414.513 4.178 20 0 HIADMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000478369899 893631969 /nfs/dbraw/zinc/63/19/69/893631969.db2.gz KOKVBLSWWDQNAM-FUHWJXTLSA-N 0 1 403.507 4.384 20 0 HIADMN Cc1[nH]ncc1CCCNC(=O)N[C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000478384328 893657565 /nfs/dbraw/zinc/65/75/65/893657565.db2.gz DXOPUCLKRGNMRS-LJQANCHMSA-N 0 1 407.356 4.284 20 0 HIADMN COc1cccc(NC(=O)[C@H](NCCc2nn(C)c3ccccc23)c2ccccc2)c1 ZINC000478453213 893772542 /nfs/dbraw/zinc/77/25/42/893772542.db2.gz ZYDRWWBYVASJOS-XMMPIXPASA-N 0 1 414.509 4.094 20 0 HIADMN C[C@@H](CN(C)C(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)c1nn[nH]n1 ZINC000478578283 893856851 /nfs/dbraw/zinc/85/68/51/893856851.db2.gz ALOMTBPMQCBIAW-JTQLQIEISA-N 0 1 408.264 4.188 20 0 HIADMN C[C@@H](CN(C)C(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nn[nH]n1 ZINC000478583042 893859678 /nfs/dbraw/zinc/85/96/78/893859678.db2.gz RVOJMEWABPFDNA-NSHDSACASA-N 0 1 406.273 4.175 20 0 HIADMN C[C@@H](CN(C)C(=O)c1oc2ccccc2c1CSC1CCCCC1)c1nn[nH]n1 ZINC000478600354 893868219 /nfs/dbraw/zinc/86/82/19/893868219.db2.gz SUBDZARGGYREKS-AWEZNQCLSA-N 0 1 413.547 4.388 20 0 HIADMN Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c1 ZINC000478603135 893868951 /nfs/dbraw/zinc/86/89/51/893868951.db2.gz QELGUDMCCFAOBK-CYBMUJFWSA-N 0 1 401.923 4.188 20 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KKAGZZINIXZFAQ-WMLDXEAASA-N 0 1 411.727 4.076 20 0 HIADMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(F)c(Br)c(Cl)c1 ZINC000505135668 913836880 /nfs/dbraw/zinc/83/68/80/913836880.db2.gz KTFRYWLMHDDWNF-CQSZACIVSA-N 0 1 415.690 4.402 20 0 HIADMN O=C(CCCSc1ccc(Cl)cc1)NC1CCN(Cc2cccnc2)CC1 ZINC000478843572 894123032 /nfs/dbraw/zinc/12/30/32/894123032.db2.gz ZZNWYVCBMJYSCM-UHFFFAOYSA-N 0 1 403.979 4.388 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)c1ccccc1N1CCCCC1)N1CCCC1 ZINC000505147567 913842361 /nfs/dbraw/zinc/84/23/61/913842361.db2.gz BIIAHLGPNQNDLW-HSZRJFAPSA-N 0 1 407.558 4.252 20 0 HIADMN CC1(C)CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC[C@H]1C(F)(F)F ZINC000478929653 894212141 /nfs/dbraw/zinc/21/21/41/894212141.db2.gz JTLGFQLSKRTAED-GOSISDBHSA-N 0 1 415.475 4.410 20 0 HIADMN CCOc1cc(CN(C)Cc2ccc3ccccc3c2)nc2nc(C(F)(F)F)nn21 ZINC000478967269 894246728 /nfs/dbraw/zinc/24/67/28/894246728.db2.gz ANWLVDUMUPSULV-UHFFFAOYSA-N 0 1 415.419 4.327 20 0 HIADMN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 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Cc1ccc2c(C(=O)Nc3ccc(OCCN4CCN(C)CC4)cc3)csc2c1 ZINC000480179224 895571579 /nfs/dbraw/zinc/57/15/79/895571579.db2.gz JZWRSEYGAXLMIC-UHFFFAOYSA-N 0 1 409.555 4.088 20 0 HIADMN CCc1c(NS(=O)(=O)c2ccc(OCC(F)F)cc2)cnn1-c1cccc(C)c1 ZINC000480193881 895590356 /nfs/dbraw/zinc/59/03/56/895590356.db2.gz HLJYVSTXSBBIMK-UHFFFAOYSA-N 0 1 421.469 4.188 20 0 HIADMN Cc1c([C@H](C)NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241301 895650965 /nfs/dbraw/zinc/65/09/65/895650965.db2.gz OHNSMGHBILRVGL-ZCNNSNEGSA-N 0 1 419.573 4.036 20 0 HIADMN CNS(=O)(=O)c1cccc([C@H](C)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000480273245 895680712 /nfs/dbraw/zinc/68/07/12/895680712.db2.gz GKRZVYZQICMPHV-GJZGRUSLSA-N 0 1 415.584 4.438 20 0 HIADMN Brc1ccc2c(c1)OCCC[C@@H]2NCc1ccnc(N2CCCC2)c1 ZINC000480285035 895689822 /nfs/dbraw/zinc/68/98/22/895689822.db2.gz ALRYVNKGBFALMB-SFHVURJKSA-N 0 1 402.336 4.448 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(OCC(F)(F)F)c3)[nH]n2)cc1 ZINC000480310451 895712967 /nfs/dbraw/zinc/71/29/67/895712967.db2.gz SJUOQJVWWZOJFS-UHFFFAOYSA-N 0 1 421.375 4.287 20 0 HIADMN CC[C@H](NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(Cl)c(Cl)c1 ZINC000480313525 895716448 /nfs/dbraw/zinc/71/64/48/895716448.db2.gz HPDPPEGVCRCTIX-KRWDZBQOSA-N 0 1 401.359 4.485 20 0 HIADMN CCNC(=O)COc1cccc(CNCc2ccc(-c3cccc(F)c3F)o2)c1 ZINC000480343369 895747863 /nfs/dbraw/zinc/74/78/63/895747863.db2.gz SRUAMBSXTPJIGA-UHFFFAOYSA-N 0 1 400.425 4.030 20 0 HIADMN COc1cccc([C@H](CNC(=O)N(C)[C@H]2CCCc3cc(OC)ccc32)N(C)C)c1 ZINC000480349744 895754462 /nfs/dbraw/zinc/75/44/62/895754462.db2.gz RTXXTJPEFIPSER-GOTSBHOMSA-N 0 1 411.546 4.026 20 0 HIADMN O=C(CSc1nccc2ccccc21)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000480470790 895853022 /nfs/dbraw/zinc/85/30/22/895853022.db2.gz GCEYLTLLOBXHAI-UHFFFAOYSA-N 0 1 409.530 4.247 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(C(=O)N4CCCCCC4)cc3)[nH]n2)c1 ZINC000480475351 895855714 /nfs/dbraw/zinc/85/57/14/895855714.db2.gz NAAMEYUINNVEHY-UHFFFAOYSA-N 0 1 418.497 4.354 20 0 HIADMN COC[C@H](N[C@@H](CN1CCOCC1)c1ccc(C)cc1)c1cccc(C(F)(F)F)c1 ZINC000480479043 895858202 /nfs/dbraw/zinc/85/82/02/895858202.db2.gz TUUJCJDORSZJCH-VXKWHMMOSA-N 0 1 422.491 4.364 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)[nH]n2)c1 ZINC000480505113 895873946 /nfs/dbraw/zinc/87/39/46/895873946.db2.gz KTXUAQSBIFTAFB-UHFFFAOYSA-N 0 1 410.437 4.047 20 0 HIADMN COc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000480510141 895878831 /nfs/dbraw/zinc/87/88/31/895878831.db2.gz PCJWBWGCRIINJG-UHFFFAOYSA-N 0 1 413.821 4.251 20 0 HIADMN C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000480534446 895895806 /nfs/dbraw/zinc/89/58/06/895895806.db2.gz FPCLMPJCEGNPET-HNNXBMFYSA-N 0 1 411.493 4.423 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCc1cccnc1N1CCOCC1 ZINC000480535101 895897402 /nfs/dbraw/zinc/89/74/02/895897402.db2.gz IHIGHZUDRRUMJM-QGZVFWFLSA-N 0 1 408.571 4.125 20 0 HIADMN Fc1cccc(C[C@H](NCc2cccnc2N2CCOCC2)c2cccc(F)c2)c1 ZINC000480535464 895897653 /nfs/dbraw/zinc/89/76/53/895897653.db2.gz JUBPDCWKQCNWHY-QHCPKHFHSA-N 0 1 409.480 4.270 20 0 HIADMN O=C(c1cc2c(cc(Cl)cc2Cl)[nH]1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000480536274 895899484 /nfs/dbraw/zinc/89/94/84/895899484.db2.gz BUEFWQHLKLFXDM-NSHDSACASA-N 0 1 404.301 4.490 20 0 HIADMN Cc1cc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)nn1-c1ccc(F)cc1F ZINC000505349890 914013972 /nfs/dbraw/zinc/01/39/72/914013972.db2.gz KOXALCUGFOZJQF-KRWDZBQOSA-N 0 1 424.495 4.196 20 0 HIADMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000480548746 895909472 /nfs/dbraw/zinc/90/94/72/895909472.db2.gz FENNEUNYEXLNFV-FNODVLLQSA-N 0 1 406.349 4.256 20 0 HIADMN CCc1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccccc1Cl ZINC000480550660 895910731 /nfs/dbraw/zinc/91/07/31/895910731.db2.gz LZDQNSZSTOLVOK-HNNXBMFYSA-N 0 1 424.936 4.103 20 0 HIADMN COC(=O)c1nc([C@H]2CCCN2c2ccnc3cc(F)c(OC)cc32)sc1C ZINC000480575684 895935460 /nfs/dbraw/zinc/93/54/60/895935460.db2.gz JOZRWVWFAVERLC-MRXNPFEDSA-N 0 1 401.463 4.276 20 0 HIADMN C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(F)c(Br)c1 ZINC000480632511 896002368 /nfs/dbraw/zinc/00/23/68/896002368.db2.gz SASACSNWEVFREQ-KBPBESRZSA-N 0 1 408.315 4.059 20 0 HIADMN COc1ccc(-c2cc(C(=O)N3CCC(C(=O)c4ccc(Cl)cc4)CC3)n[nH]2)cc1 ZINC000480633885 896004608 /nfs/dbraw/zinc/00/46/08/896004608.db2.gz HGSJTNHQYSXLSG-UHFFFAOYSA-N 0 1 423.900 4.474 20 0 HIADMN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000480690553 896052156 /nfs/dbraw/zinc/05/21/56/896052156.db2.gz APNRYWVEHSVGAG-CYBMUJFWSA-N 0 1 411.568 4.105 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)CC(=O)Nc2ccccc2C(C)C)cc1 ZINC000480701458 896062253 /nfs/dbraw/zinc/06/22/53/896062253.db2.gz UHLVDNAXVRLHEP-RTBURBONSA-N 0 1 416.587 4.288 20 0 HIADMN CC(C)NC(=O)Nc1ccc([C@@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000480707719 896069262 /nfs/dbraw/zinc/06/92/62/896069262.db2.gz KHFORVHKBCPKJI-GCJKJVERSA-N 0 1 408.546 4.231 20 0 HIADMN CC(C)NC(=O)Nc1ccc([C@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000480707714 896069505 /nfs/dbraw/zinc/06/95/05/896069505.db2.gz KHFORVHKBCPKJI-AVRDEDQJSA-N 0 1 408.546 4.231 20 0 HIADMN C[C@H](NCCc1ccc(OCC(F)(F)F)nc1)c1ncc(Br)s1 ZINC000480719165 896080160 /nfs/dbraw/zinc/08/01/60/896080160.db2.gz XRCJPLZPQYTSCI-VIFPVBQESA-N 0 1 410.259 4.135 20 0 HIADMN C[C@H](N[C@@H]1CCCc2c1cnn2C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000480722875 896083638 /nfs/dbraw/zinc/08/36/38/896083638.db2.gz QNBICEYOBAAGGR-KSFYIVLOSA-N 0 1 406.505 4.469 20 0 HIADMN Cn1nccc1CN[C@@H]1CCCc2nc(-c3ccc(Br)cc3)sc21 ZINC000480748327 896111707 /nfs/dbraw/zinc/11/17/07/896111707.db2.gz KWAVBCKKFMMFPN-OAHLLOKOSA-N 0 1 403.349 4.473 20 0 HIADMN CNS(=O)(=O)c1cccc([C@H](C)NCc2cccc(COCc3ccccc3)c2)c1 ZINC000480751884 896113166 /nfs/dbraw/zinc/11/31/66/896113166.db2.gz RPBVHUAOJOGSJE-IBGZPJMESA-N 0 1 424.566 4.162 20 0 HIADMN Fc1ccc(-c2nc3c(s2)[C@H](NCc2cccc(N4CCOCC4)n2)CCC3)cc1 ZINC000480754384 896114990 /nfs/dbraw/zinc/11/49/90/896114990.db2.gz DHKLLOKKOLLYGM-LJQANCHMSA-N 0 1 424.545 4.348 20 0 HIADMN C[C@H](NCc1cccc(N2CCOCC2)n1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480758292 896119792 /nfs/dbraw/zinc/11/97/92/896119792.db2.gz NAAIORHNQFOWEB-IBGZPJMESA-N 0 1 421.516 4.487 20 0 HIADMN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480758293 896120160 /nfs/dbraw/zinc/12/01/60/896120160.db2.gz NAAIORHNQFOWEB-LJQANCHMSA-N 0 1 421.516 4.487 20 0 HIADMN CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(Cl)c1 ZINC000480762990 896125248 /nfs/dbraw/zinc/12/52/48/896125248.db2.gz FMGDYTQVQARGCM-KKSFZXQISA-N 0 1 422.978 4.163 20 0 HIADMN C[C@@H](NCc1cccc(N2CCOCC2)n1)c1cccc(OCc2ccccc2)c1 ZINC000480773236 896139067 /nfs/dbraw/zinc/13/90/67/896139067.db2.gz SDNNWDATZYAMBO-HXUWFJFHSA-N 0 1 403.526 4.348 20 0 HIADMN CC(C)c1nc(C2CCN(Cc3nc4ccc(Br)cc4[nH]3)CC2)no1 ZINC000480781157 896146667 /nfs/dbraw/zinc/14/66/67/896146667.db2.gz TZRWDWUEPOMVHW-UHFFFAOYSA-N 0 1 404.312 4.211 20 0 HIADMN COc1ccc([C@@H](CNC(=O)NCc2nccc3ccccc32)N2CCCCC2)cc1 ZINC000505377119 914039366 /nfs/dbraw/zinc/03/93/66/914039366.db2.gz LZTBHWSDOCVIIT-XMMPIXPASA-N 0 1 418.541 4.270 20 0 HIADMN C[C@H](NCc1cccnc1N1CCOCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000480796190 896164435 /nfs/dbraw/zinc/16/44/35/896164435.db2.gz POQIBTNFKQXKAX-IBGZPJMESA-N 0 1 421.516 4.487 20 0 HIADMN O=S(=O)(c1ccc(CN[C@@H](c2ccccc2)c2ccc(F)cc2)cc1)N1CCCC1 ZINC000480804642 896171948 /nfs/dbraw/zinc/17/19/48/896171948.db2.gz JBKQNKIROROBGN-DEOSSOPVSA-N 0 1 424.541 4.489 20 0 HIADMN CC[C@@H](NCc1nc2cc(Br)ccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000480875219 896234467 /nfs/dbraw/zinc/23/44/67/896234467.db2.gz ACPABSMXQWHGII-CQSZACIVSA-N 0 1 402.292 4.338 20 0 HIADMN CC[C@@H](NCc1nc2ccc(Br)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000480875219 896234501 /nfs/dbraw/zinc/23/45/01/896234501.db2.gz ACPABSMXQWHGII-CQSZACIVSA-N 0 1 402.292 4.338 20 0 HIADMN COc1cc([C@@H](C)NCc2nc3ccc(Br)cc3[nH]2)cc(OC)c1OC ZINC000480887753 896244051 /nfs/dbraw/zinc/24/40/51/896244051.db2.gz FZYSPOLIDFDCDL-LLVKDONJSA-N 0 1 420.307 4.202 20 0 HIADMN C[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1cccc(N2CCCS2(=O)=O)c1 ZINC000480889168 896245997 /nfs/dbraw/zinc/24/59/97/896245997.db2.gz KZPMFCWKFDMWAK-AUUYWEPGSA-N 0 1 406.548 4.253 20 0 HIADMN COc1cc(CN[C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)ccc1OCCO ZINC000480901237 896257223 /nfs/dbraw/zinc/25/72/23/896257223.db2.gz PRFCIHLBJASHLA-OAHLLOKOSA-N 0 1 415.921 4.065 20 0 HIADMN Cc1nc(COc2ccc(CN[C@@H]3CCN(Cc4ccc(C)cc4)C3=O)cc2)cs1 ZINC000480906927 896261923 /nfs/dbraw/zinc/26/19/23/896261923.db2.gz LMEHWMPRUVDNQX-HSZRJFAPSA-N 0 1 421.566 4.230 20 0 HIADMN COc1cc(OC)c([C@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc1Cl ZINC000480919121 896277575 /nfs/dbraw/zinc/27/75/75/896277575.db2.gz FEXDFSWNODNSSH-HNNXBMFYSA-N 0 1 402.922 4.330 20 0 HIADMN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(F)cc2Br)cc1 ZINC000481026132 896355224 /nfs/dbraw/zinc/35/52/24/896355224.db2.gz SDLNHIVVYXLOAK-GFCCVEGCSA-N 0 1 415.328 4.201 20 0 HIADMN CNS(=O)(=O)c1cccc(CN[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000481034754 896362988 /nfs/dbraw/zinc/36/29/88/896362988.db2.gz IGBGRIJQOZHQCP-CYBMUJFWSA-N 0 1 419.547 4.017 20 0 HIADMN CC(C)NS(=O)(=O)c1cccc(CN[C@H](C)c2cccc(-c3ccncc3)c2)c1 ZINC000481042654 896368391 /nfs/dbraw/zinc/36/83/91/896368391.db2.gz TUJTWUSZHUBCDG-GOSISDBHSA-N 0 1 409.555 4.286 20 0 HIADMN CC(=O)c1cc(C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)n(C)c1 ZINC000481131487 896458737 /nfs/dbraw/zinc/45/87/37/896458737.db2.gz OSXQHADIZQXGIW-UHFFFAOYSA-N 0 1 422.356 4.273 20 0 HIADMN CC(=O)N[C@@H](C)C1CCN([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000481157050 896490340 /nfs/dbraw/zinc/49/03/40/896490340.db2.gz NMKQJWFQXFYOTA-CYFREDJKSA-N 0 1 407.558 4.220 20 0 HIADMN Cn1cc(CN[C@H]2CCCc3nc(-c4ccccc4Br)sc32)cn1 ZINC000481163843 896495883 /nfs/dbraw/zinc/49/58/83/896495883.db2.gz KEDHUQNEWCDXLN-HNNXBMFYSA-N 0 1 403.349 4.473 20 0 HIADMN COc1cc([C@H](C)N[C@@H](C)c2cc(Br)ccc2F)ccc1OCCO ZINC000481173085 896506588 /nfs/dbraw/zinc/50/65/88/896506588.db2.gz HHYQZNHWDMJAAO-STQMWFEESA-N 0 1 412.299 4.380 20 0 HIADMN Clc1cccc2c1OCCC[C@@H]2NCc1ccccc1OCCN1CCOCC1 ZINC000481192476 896543800 /nfs/dbraw/zinc/54/38/00/896543800.db2.gz QAWVLMZSMJVKMH-NRFANRHFSA-N 0 1 416.949 4.055 20 0 HIADMN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc(F)cc1Br ZINC000481243954 896595436 /nfs/dbraw/zinc/59/54/36/896595436.db2.gz XPZRZIRIHCZXHF-CYBMUJFWSA-N 0 1 400.313 4.103 20 0 HIADMN Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H](CC2CCC2)c2ccccc2)c(C)c1 ZINC000481249594 896600958 /nfs/dbraw/zinc/60/09/58/896600958.db2.gz BETSFZSTACJUIC-JOCHJYFZSA-N 0 1 407.558 4.188 20 0 HIADMN CCc1cccc2c1OCC[C@@H]2NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000481270351 896618004 /nfs/dbraw/zinc/61/80/04/896618004.db2.gz HVPZYNZQNXYYML-SFHVURJKSA-N 0 1 408.527 4.075 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccnn2C2CCCC2)c1 ZINC000481274822 896621879 /nfs/dbraw/zinc/62/18/79/896621879.db2.gz DOLJSFRPQIAABF-UHFFFAOYSA-N 0 1 409.534 4.065 20 0 HIADMN Cc1nc([C@@H](C)NC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)n[nH]1 ZINC000481279509 896626849 /nfs/dbraw/zinc/62/68/49/896626849.db2.gz DRXZFRPZKQDZIQ-GFCCVEGCSA-N 0 1 412.881 4.210 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000481290620 896636452 /nfs/dbraw/zinc/63/64/52/896636452.db2.gz AEQWKCVYXWDSBT-ORAYPTAESA-N 0 1 417.296 4.336 20 0 HIADMN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000481305843 896653175 /nfs/dbraw/zinc/65/31/75/896653175.db2.gz LBXNJEARHUZORP-UHFFFAOYSA-N 0 1 416.275 4.244 20 0 HIADMN COCCOc1cccc(CN[C@@H]2CCCOc3ccc(Br)cc32)c1 ZINC000481314891 896663852 /nfs/dbraw/zinc/66/38/52/896663852.db2.gz DMNRCSPITXTQHU-LJQANCHMSA-N 0 1 406.320 4.478 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(Cl)ccc1I ZINC000481314907 896665464 /nfs/dbraw/zinc/66/54/64/896665464.db2.gz LOFKWXIELDLBEG-UHFFFAOYSA-N 0 1 411.630 4.382 20 0 HIADMN C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000481322404 896675639 /nfs/dbraw/zinc/67/56/39/896675639.db2.gz MSKXAGBTCACAIS-UONOGXRCSA-N 0 1 422.447 4.496 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000481323681 896678066 /nfs/dbraw/zinc/67/80/66/896678066.db2.gz PGCIBUUKRMLCGX-GOSISDBHSA-N 0 1 417.296 4.421 20 0 HIADMN CC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000481327340 896683202 /nfs/dbraw/zinc/68/32/02/896683202.db2.gz GSEYQNHRUZLAEB-JPYJTQIMSA-N 0 1 423.557 4.448 20 0 HIADMN CC(C)CN(CC(=O)N1CCc2[nH]c3ccccc3c2C1)[C@@H]1CCCc2cccnc21 ZINC000481330630 896689124 /nfs/dbraw/zinc/68/91/24/896689124.db2.gz FIGGAWWTDNLYTK-XMMPIXPASA-N 0 1 416.569 4.483 20 0 HIADMN C[C@@H](N[C@H](C)c1ccc(-n2cncn2)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000481417165 896820509 /nfs/dbraw/zinc/82/05/09/896820509.db2.gz IYFAIKOFOPYEGF-HZPDHXFCSA-N 0 1 409.921 4.459 20 0 HIADMN CCCOc1ccc([C@@H](C)NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000481421544 896823887 /nfs/dbraw/zinc/82/38/87/896823887.db2.gz QHDHWCAETVXCRK-QGZVFWFLSA-N 0 1 404.576 4.403 20 0 HIADMN CCS[C@H]1CCCCN(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)C1 ZINC000481486094 896868228 /nfs/dbraw/zinc/86/82/28/896868228.db2.gz MYQFZTSSMQNLAU-AZUAARDMSA-N 0 1 405.608 4.149 20 0 HIADMN COc1ccccc1[C@H]1CCCN1C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000481511638 896880645 /nfs/dbraw/zinc/88/06/45/896880645.db2.gz TTXMRRJNLVRFTG-GOSISDBHSA-N 0 1 408.527 4.245 20 0 HIADMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(-c3cncnc3)cc2F)[nH]1 ZINC000481511634 896880990 /nfs/dbraw/zinc/88/09/90/896880990.db2.gz SXAMUCAJKRBGQC-UHFFFAOYSA-N 0 1 402.433 4.444 20 0 HIADMN O=C(CN1CCC[C@@H](c2ccc(F)cc2)CC1)Nc1ccccc1N1CCCC1=O ZINC000481527681 896890519 /nfs/dbraw/zinc/89/05/19/896890519.db2.gz KOQJTDRXAYLOED-GOSISDBHSA-N 0 1 409.505 4.161 20 0 HIADMN CC[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cc(Cl)ccc1OC ZINC000481533176 896894460 /nfs/dbraw/zinc/89/44/60/896894460.db2.gz KQPPALKGCQXSJA-TZIWHRDSSA-N 0 1 416.949 4.498 20 0 HIADMN COc1cccc(-c2cc(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)[nH]n2)c1 ZINC000481538160 896897724 /nfs/dbraw/zinc/89/77/24/896897724.db2.gz GZSFCRYOQIGCHU-UHFFFAOYSA-N 0 1 411.368 4.325 20 0 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C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000482490925 898070764 /nfs/dbraw/zinc/07/07/64/898070764.db2.gz QJSYNKZGSXGDDN-OOVXXXAESA-N 0 1 421.364 4.332 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000482500709 898081350 /nfs/dbraw/zinc/08/13/50/898081350.db2.gz REKOXNHYMAVPQW-UHFFFAOYSA-N 0 1 406.530 4.188 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H]3CCCO[C@H]3c3ccc(C)cc3)n2)cc1 ZINC000482514802 898100340 /nfs/dbraw/zinc/10/03/40/898100340.db2.gz UORMWZLAIAKLID-FPOVZHCZSA-N 0 1 422.554 4.217 20 0 HIADMN CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000482515791 898102098 /nfs/dbraw/zinc/10/20/98/898102098.db2.gz YVYZZMZMUYZTFK-UHFFFAOYSA-N 0 1 419.481 4.102 20 0 HIADMN Clc1ccc(OCc2nc(CN[C@@H](c3nnc[nH]3)c3ccccc3)cs2)cc1 ZINC000482520395 898107217 /nfs/dbraw/zinc/10/72/17/898107217.db2.gz SIPFURPJZZHDGY-LJQANCHMSA-N 0 1 411.918 4.373 20 0 HIADMN COc1ccccc1C[C@@H](NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)C(C)C ZINC000482521130 898108751 /nfs/dbraw/zinc/10/87/51/898108751.db2.gz WPVNKQOVGRCSOJ-LJQANCHMSA-N 0 1 424.570 4.264 20 0 HIADMN CCC[C@H](N[C@@H](C)c1ccc(OCc2nccn2C)cc1)c1nnc2ccccn21 ZINC000482529400 898116366 /nfs/dbraw/zinc/11/63/66/898116366.db2.gz GGKJNLYYHHMYJI-PXNSSMCTSA-N 0 1 404.518 4.234 20 0 HIADMN Cc1ncsc1CN[C@H]1CCCOc2ccc(I)cc21 ZINC000482546484 898135198 /nfs/dbraw/zinc/13/51/98/898135198.db2.gz FQOLKLXTHBAEKP-ZDUSSCGKSA-N 0 1 400.285 4.060 20 0 HIADMN CCCCOc1ccc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cn1 ZINC000482553644 898145578 /nfs/dbraw/zinc/14/55/78/898145578.db2.gz NXDDYNXZBNOEQN-SFHVURJKSA-N 0 1 406.490 4.415 20 0 HIADMN CCCCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cn1 ZINC000482553644 898145588 /nfs/dbraw/zinc/14/55/88/898145588.db2.gz NXDDYNXZBNOEQN-SFHVURJKSA-N 0 1 406.490 4.415 20 0 HIADMN Cc1ccn2c(CNc3cc(NC(=O)CN4CCCC[C@@H]4C)ccc3F)cnc2c1 ZINC000482610881 898212394 /nfs/dbraw/zinc/21/23/94/898212394.db2.gz YXZNKSUFRZUBRI-KRWDZBQOSA-N 0 1 409.509 4.207 20 0 HIADMN C[C@H](Cn1ncc2ccccc2c1=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000482668517 898271626 /nfs/dbraw/zinc/27/16/26/898271626.db2.gz XJTFMJIDZTVESI-OAHLLOKOSA-N 0 1 416.506 4.445 20 0 HIADMN CCc1c(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)cnn1C(CC)CC ZINC000482697636 898297956 /nfs/dbraw/zinc/29/79/56/898297956.db2.gz QIKAFHKDEYEZOJ-UHFFFAOYSA-N 0 1 412.943 4.084 20 0 HIADMN CN1C(=O)C[C@H](NCc2cnc(-c3cccs3)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000482705542 898305249 /nfs/dbraw/zinc/30/52/49/898305249.db2.gz LOJWWXIYJYNRSN-MAUKXSAKSA-N 0 1 405.495 4.211 20 0 HIADMN CCOc1c(Cl)cc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000482729409 898332228 /nfs/dbraw/zinc/33/22/28/898332228.db2.gz BSKVXODPWAYTQP-YLJYHZDGSA-N 0 1 424.875 4.087 20 0 HIADMN CCc1c(NC(=O)CCSc2nnc(C)[nH]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000482749019 898355468 /nfs/dbraw/zinc/35/54/68/898355468.db2.gz YURVZMIWHJKDFI-UHFFFAOYSA-N 0 1 424.452 4.001 20 0 HIADMN OCC[C@H](NCc1ccc(I)cc1Cl)c1ccccc1 ZINC000482788853 898397168 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Cc1ccc([C@@H](CNC(=O)N2CCC(COc3ccccc3)CC2)N2CCCC2)o1 ZINC000510446629 918902661 /nfs/dbraw/zinc/90/26/61/918902661.db2.gz XBPZPZQSTBAEKX-JOCHJYFZSA-N 0 1 411.546 4.226 20 0 HIADMN CC(C)C(=O)N1CCCN(Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000510448879 918905690 /nfs/dbraw/zinc/90/56/90/918905690.db2.gz AGAYYBVPDKRNAR-UHFFFAOYSA-N 0 1 416.569 4.289 20 0 HIADMN COc1cccc(OC)c1OC1CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000510466755 918922982 /nfs/dbraw/zinc/92/29/82/918922982.db2.gz AJMRVLZHTQLHMJ-UHFFFAOYSA-N 0 1 401.551 4.316 20 0 HIADMN COc1ccccc1C[C@H]1CCCN1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000510466279 918923276 /nfs/dbraw/zinc/92/32/76/918923276.db2.gz VZGBPNYQWNOAKC-NHCUHLMSSA-N 0 1 411.546 4.150 20 0 HIADMN COC(=O)[C@@H](C)Oc1ccc(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000510471087 918925869 /nfs/dbraw/zinc/92/58/69/918925869.db2.gz FXTNZXRBRWTAMO-OAHLLOKOSA-N 0 1 417.452 4.000 20 0 HIADMN COc1cccc([C@H](CNC(=O)Nc2cccc(OCc3cccnc3)c2)N(C)C)c1 ZINC000510493477 918942161 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403.910 4.314 20 0 HIADMN O=C(Cc1ccccc1)N1CCC[C@H](N[C@@H](c2ccccc2)c2ccc(F)cn2)C1 ZINC000511047130 919638385 /nfs/dbraw/zinc/63/83/85/919638385.db2.gz LRSNCLCJTPIVDE-DHLKQENFSA-N 0 1 403.501 4.133 20 0 HIADMN Cc1cccn2c(=O)cc(CN3CCC(C)(c4nc5ccccc5s4)CC3)nc12 ZINC000511064263 919662278 /nfs/dbraw/zinc/66/22/78/919662278.db2.gz KJLHBLNQESELGG-UHFFFAOYSA-N 0 1 404.539 4.166 20 0 HIADMN O=C(Nc1cc(F)c(Br)cc1F)N1CCCN(Cc2ccccc2)CC1 ZINC000511077011 919677428 /nfs/dbraw/zinc/67/74/28/919677428.db2.gz QGMCFDVXDZIENC-UHFFFAOYSA-N 0 1 424.289 4.467 20 0 HIADMN CCOC(=O)c1sc2cccc(F)c2c1CN1CCC[C@H](c2ccnn2C)C1 ZINC000511142316 919761311 /nfs/dbraw/zinc/76/13/11/919761311.db2.gz AFUQKRCUHNKUGC-AWEZNQCLSA-N 0 1 401.507 4.330 20 0 HIADMN COc1ccc([C@H](CNC(=O)Cc2c[nH]c3cc(F)ccc23)N2CCCCC2)cc1 ZINC000511153735 919773747 /nfs/dbraw/zinc/77/37/47/919773747.db2.gz GNNTXMBRNDIVRY-QHCPKHFHSA-N 0 1 409.505 4.202 20 0 HIADMN Cc1cn2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)ccc2n1 ZINC000511155349 919773783 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CN(C)c1cc(CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c2ccccc2n1 ZINC000511378003 919978209 /nfs/dbraw/zinc/97/82/09/919978209.db2.gz LXFNDYAFOXVXDQ-ISKFKSNPSA-N 0 1 424.976 4.116 20 0 HIADMN Cc1cc(C)n(-c2ccccc2CN[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)n1 ZINC000511415843 920028654 /nfs/dbraw/zinc/02/86/54/920028654.db2.gz SVIATZNBVXABCQ-DNQXCXABSA-N 0 1 424.976 4.304 20 0 HIADMN Cc1ccc(NC(=O)C2CCN([C@@H](C)C(=O)Nc3cccc4ccccc43)CC2)nc1 ZINC000511417661 920031918 /nfs/dbraw/zinc/03/19/18/920031918.db2.gz IYSNFGRBKYPYQF-SFHVURJKSA-N 0 1 416.525 4.221 20 0 HIADMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000511496098 920105883 /nfs/dbraw/zinc/10/58/83/920105883.db2.gz ZYRRBISTKLVXMZ-LJQANCHMSA-N 0 1 405.546 4.059 20 0 HIADMN CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H](C)N3[C@H](C)CC[C@@H]3C)n2)c(F)c1 ZINC000511501286 920116773 /nfs/dbraw/zinc/11/67/73/920116773.db2.gz ZDQTUBBHKPGMKY-XQQFMLRXSA-N 0 1 404.511 4.107 20 0 HIADMN CCN1CCN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)[C@H](C)C1 ZINC000511535063 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ZINC000539824774 938947084 /nfs/dbraw/zinc/94/70/84/938947084.db2.gz IRKXDICFVNDIHR-INIZCTEOSA-N 0 1 402.922 4.015 20 0 HIADMN CCOc1cc(CN2CCS[C@H](CC)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000539829096 938949775 /nfs/dbraw/zinc/94/97/75/938949775.db2.gz IDQWNULRIPJLJZ-HXUWFJFHSA-N 0 1 414.571 4.430 20 0 HIADMN O=C(Nc1cccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000539831810 938950985 /nfs/dbraw/zinc/95/09/85/938950985.db2.gz RMAROEDYERFUPP-MSOLQXFVSA-N 0 1 412.839 4.480 20 0 HIADMN Cc1cccn2cc(COc3ccc(CN4CCC[C@@H]4[C@H](O)C(F)(F)F)cc3)nc12 ZINC000539832948 938951778 /nfs/dbraw/zinc/95/17/78/938951778.db2.gz FHTNJOFIMHGUGM-UXHICEINSA-N 0 1 419.447 4.109 20 0 HIADMN CCOc1cc(CN(C)[C@H](C)c2sc(C)nc2C)ccc1O[C@H](C)C(=O)N(C)C ZINC000539834176 938952608 /nfs/dbraw/zinc/95/26/08/938952608.db2.gz GYSSOXUGZAMWLB-HZPDHXFCSA-N 0 1 419.591 4.207 20 0 HIADMN Cc1n[nH]c(CCNC(=O)c2c3ccccc3nc3c2CCCC3=Cc2ccco2)n1 ZINC000539845494 938956193 /nfs/dbraw/zinc/95/61/93/938956193.db2.gz OCIPXSLNSJQFMC-PEZBUJJGSA-N 0 1 413.481 4.104 20 0 HIADMN O=C(CCn1c2ccccc2nc1C1CC1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000539851259 938957845 /nfs/dbraw/zinc/95/78/45/938957845.db2.gz OZVAWPOLGJOGFN-OAQYLSRUSA-N 0 1 406.530 4.240 20 0 HIADMN O=c1[nH]nc(S[C@@H]2CCCc3ccc(Br)cc32)n1C[C@@H]1CCCO1 ZINC000539856903 938959121 /nfs/dbraw/zinc/95/91/21/938959121.db2.gz WARWBZJHONKZOL-DZGCQCFKSA-N 0 1 410.337 4.095 20 0 HIADMN COc1cc(OC)cc(N2CC[C@H](N(C)Cc3cccc(-c4cccnc4)c3)C2=O)c1 ZINC000539861675 938959779 /nfs/dbraw/zinc/95/97/79/938959779.db2.gz YDTRINFGCPTCCH-DEOSSOPVSA-N 0 1 417.509 4.003 20 0 HIADMN CC(C)(C)OC(=O)C1CCC(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000539891133 938967882 /nfs/dbraw/zinc/96/78/82/938967882.db2.gz JYRSOZDBPBIEHI-ACBHZAAOSA-N 0 1 419.566 4.006 20 0 HIADMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc2c(c1)OCCO2 ZINC000539893880 938969562 /nfs/dbraw/zinc/96/95/62/938969562.db2.gz BITIGJPMIUSFMX-UHFFFAOYSA-N 0 1 413.302 4.241 20 0 HIADMN Brc1cccc(-c2nc(CN3CCC[C@@H](Cn4ccnn4)C3)cs2)c1 ZINC000539895395 938970337 /nfs/dbraw/zinc/97/03/37/938970337.db2.gz QWOQNAWERMPGGT-CQSZACIVSA-N 0 1 418.364 4.076 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CCN(C)[C@H](C)[C@@H]3C)c3cnn(C(C)C)c3n2)s1 ZINC000540012332 939039106 /nfs/dbraw/zinc/03/91/06/939039106.db2.gz KROZELOGCIYERS-CVEARBPZSA-N 0 1 411.575 4.214 20 0 HIADMN Cc1ccc(-c2cc(C(=O)N3CCN(C)[C@H](C)[C@H]3C)c3cnn(C(C)C)c3n2)s1 ZINC000540012339 939039403 /nfs/dbraw/zinc/03/94/03/939039403.db2.gz KROZELOGCIYERS-HZPDHXFCSA-N 0 1 411.575 4.214 20 0 HIADMN COCCn1ccc2ccc(NC(=O)CSc3nc(-c4ccc(C)cc4)n[nH]3)cc21 ZINC000540022983 939041686 /nfs/dbraw/zinc/04/16/86/939041686.db2.gz DWVYLKZICQAUIZ-UHFFFAOYSA-N 0 1 421.526 4.112 20 0 HIADMN CCc1nc2ccccc2n1C1CCN([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000540056470 939052789 /nfs/dbraw/zinc/05/27/89/939052789.db2.gz UUVRBEBNLUFHTN-KRWDZBQOSA-N 0 1 408.521 4.080 20 0 HIADMN COc1cc(Br)c(CN2CCC[C@@H](c3nncn3C(C)C)C2)cc1OC ZINC000540062432 939055538 /nfs/dbraw/zinc/05/55/38/939055538.db2.gz UFFJQVXCQMRUSJ-CQSZACIVSA-N 0 1 423.355 4.018 20 0 HIADMN COc1cc(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1OC(F)F ZINC000540080422 939061551 /nfs/dbraw/zinc/06/15/51/939061551.db2.gz VPEXVACBLIWDMY-UHFFFAOYSA-N 0 1 412.343 4.432 20 0 HIADMN COc1ccc(C[C@@H](C)NC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1OC ZINC000540080815 939062339 /nfs/dbraw/zinc/06/23/39/939062339.db2.gz FBUHLMZFQJATEA-LLVKDONJSA-N 0 1 404.417 4.270 20 0 HIADMN O=C(Nc1ccnn1Cc1ccccn1)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000540081650 939062727 /nfs/dbraw/zinc/06/27/27/939062727.db2.gz SFBLLMWMSSJJTN-SFHVURJKSA-N 0 1 421.892 4.225 20 0 HIADMN COC(=O)[C@H](C)[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000540083311 939064134 /nfs/dbraw/zinc/06/41/34/939064134.db2.gz YAHXMWXNQJAERK-BZNIZROVSA-N 0 1 402.401 4.172 20 0 HIADMN Cc1ccc([C@H](CNC(=O)Nc2cn(CC(C)C)nc2C(F)F)N2CCCC2)o1 ZINC000540113650 939077342 /nfs/dbraw/zinc/07/73/42/939077342.db2.gz AMGMLMPRTUWYCN-INIZCTEOSA-N 0 1 409.481 4.337 20 0 HIADMN C[C@]1(CNC(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CCCC[C@@H]1O ZINC000540114254 939077719 /nfs/dbraw/zinc/07/77/19/939077719.db2.gz IBEDQUBSCGDCJD-XJKSGUPXSA-N 0 1 420.382 4.280 20 0 HIADMN COc1ccc([C@H](C)NCc2n[nH]c(-c3ccc(Br)cc3)n2)c(OC)c1 ZINC000540148594 939091747 /nfs/dbraw/zinc/09/17/47/939091747.db2.gz VHVASHYHJQHEBZ-LBPRGKRZSA-N 0 1 417.307 4.102 20 0 HIADMN COc1ccc([C@H](C)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c(OC)c1 ZINC000540148594 939091750 /nfs/dbraw/zinc/09/17/50/939091750.db2.gz VHVASHYHJQHEBZ-LBPRGKRZSA-N 0 1 417.307 4.102 20 0 HIADMN Cc1c([C@H](C)NCCc2nnc(-c3ccccc3)o2)nnn1-c1ccc(Cl)cc1 ZINC000540148935 939092166 /nfs/dbraw/zinc/09/21/66/939092166.db2.gz DJXZZYMPQCDBLU-AWEZNQCLSA-N 0 1 408.893 4.172 20 0 HIADMN Cc1c([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cnn1-c1cccc(Cl)c1 ZINC000540151874 939092692 /nfs/dbraw/zinc/09/26/92/939092692.db2.gz BYIZPQPJOOUBKO-SJKOYZFVSA-N 0 1 414.859 4.038 20 0 HIADMN CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1c(C)noc1C ZINC000540154121 939093429 /nfs/dbraw/zinc/09/34/29/939093429.db2.gz LTVHFCOYCTYYGG-JLTOFOAXSA-N 0 1 417.531 4.165 20 0 HIADMN O=S(=O)(CCN[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccc(F)cc1 ZINC000540158260 939095001 /nfs/dbraw/zinc/09/50/01/939095001.db2.gz UBLDQBMOHFAXGW-GOSISDBHSA-N 0 1 416.543 4.390 20 0 HIADMN O=S1(=O)CCc2cc(CN[C@H]3CCSc4ccc(Br)cc43)ccc21 ZINC000540159133 939095326 /nfs/dbraw/zinc/09/53/26/939095326.db2.gz XBOVQDRGSZXVHI-INIZCTEOSA-N 0 1 424.385 4.106 20 0 HIADMN CCc1nc(C)c([C@@H](C)NCc2ccc(Br)cc2N2CCOCC2)s1 ZINC000540158553 939095616 /nfs/dbraw/zinc/09/56/16/939095616.db2.gz NMEADHXUFOZCGH-CYBMUJFWSA-N 0 1 424.408 4.464 20 0 HIADMN COc1cc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000540166610 939099091 /nfs/dbraw/zinc/09/90/91/939099091.db2.gz JMQHASKQEQNPJA-LBPRGKRZSA-N 0 1 419.877 4.075 20 0 HIADMN COc1cc([C@@H](C)NCC(=O)Nc2ccc(F)c(F)c2F)ccc1OC(F)F ZINC000540167635 939099763 /nfs/dbraw/zinc/09/97/63/939099763.db2.gz NQIRBYFNHBEHHU-SECBINFHSA-N 0 1 404.335 4.003 20 0 HIADMN CC[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cc(F)ccc1F ZINC000540190320 939114554 /nfs/dbraw/zinc/11/45/54/939114554.db2.gz GNZRFNZQOZKJCJ-DMPWYTOCSA-N 0 1 402.485 4.455 20 0 HIADMN CCCCn1cc(CNCc2cc(Br)c(OCC)c(OC)c2)c(C)n1 ZINC000540202029 939125888 /nfs/dbraw/zinc/12/58/88/939125888.db2.gz DEESHFQFVYUBPH-UHFFFAOYSA-N 0 1 410.356 4.451 20 0 HIADMN CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000540214013 939131596 /nfs/dbraw/zinc/13/15/96/939131596.db2.gz SJVUVAPTALDABO-LJQANCHMSA-N 0 1 401.488 4.002 20 0 HIADMN C[C@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(Br)s1 ZINC000540221723 939135662 /nfs/dbraw/zinc/13/56/62/939135662.db2.gz KLGJJNUQFDEMAT-GOEBONIOSA-N 0 1 407.377 4.395 20 0 HIADMN Cc1c([C@@H](C)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000540220071 939136594 /nfs/dbraw/zinc/13/65/94/939136594.db2.gz JSMSLAVSYGCDNH-HOYKHHGWSA-N 0 1 420.532 4.204 20 0 HIADMN CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000540231918 939152397 /nfs/dbraw/zinc/15/23/97/939152397.db2.gz CEBOCFRAHUQNTR-MRXNPFEDSA-N 0 1 400.429 4.343 20 0 HIADMN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1sccc1CN(C)C ZINC000540256522 939173871 /nfs/dbraw/zinc/17/38/71/939173871.db2.gz MOKLFMYQMFHELA-WBMJQRKESA-N 0 1 411.365 4.078 20 0 HIADMN Cc1cc(C2CCN(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)[nH]n1 ZINC000540298487 939186221 /nfs/dbraw/zinc/18/62/21/939186221.db2.gz OSRHBUTXPCSKCG-UHFFFAOYSA-N 0 1 401.725 4.496 20 0 HIADMN C[C@H](NCC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cccc(OC(F)F)c1 ZINC000540320163 939193726 /nfs/dbraw/zinc/19/37/26/939193726.db2.gz ZGOXDQWTBLWCOF-LBPRGKRZSA-N 0 1 418.362 4.154 20 0 HIADMN CC[C@H](N[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C)c1cccc(Cl)c1 ZINC000540328855 939196361 /nfs/dbraw/zinc/19/63/61/939196361.db2.gz UKDKFLYTANRPAN-LPHOPBHVSA-N 0 1 401.938 4.141 20 0 HIADMN Cc1nc(-c2ccc(C)cc2NC(=O)CN[C@@H](C)c2cccc(OC(C)C)c2)n[nH]1 ZINC000540327588 939196606 /nfs/dbraw/zinc/19/66/06/939196606.db2.gz RBDSKJOEAYCZNE-INIZCTEOSA-N 0 1 407.518 4.165 20 0 HIADMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000540332401 939197667 /nfs/dbraw/zinc/19/76/67/939197667.db2.gz BJJRYKCZJQILPZ-QGZVFWFLSA-N 0 1 403.482 4.237 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000540331159 939197812 /nfs/dbraw/zinc/19/78/12/939197812.db2.gz OSDGSJCXZPZONO-VOIUYBSRSA-N 0 1 411.521 4.482 20 0 HIADMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCC2(c3ccccc3)CCCCC2)c1 ZINC000540333312 939198455 /nfs/dbraw/zinc/19/84/55/939198455.db2.gz OYSFFHFUSUAKEV-IBGZPJMESA-N 0 1 407.558 4.314 20 0 HIADMN CN(C(=O)CNC1(c2ccc3c(c2)OCCO3)CCCC1)c1nc2ccccc2s1 ZINC000540341820 939200180 /nfs/dbraw/zinc/20/01/80/939200180.db2.gz XMRIRGIORIMVNA-UHFFFAOYSA-N 0 1 423.538 4.089 20 0 HIADMN COc1ccc([C@H](C)NCC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1F ZINC000540342105 939200800 /nfs/dbraw/zinc/20/08/00/939200800.db2.gz CIPXYKIVCQMAPT-JTQLQIEISA-N 0 1 410.371 4.019 20 0 HIADMN CC[C@@H](NCC(=O)N(C)CC(=O)Nc1ccccc1SC)c1cccc(Cl)c1 ZINC000540347406 939202088 /nfs/dbraw/zinc/20/20/88/939202088.db2.gz ZFOAIBXRYJIGKG-QGZVFWFLSA-N 0 1 419.978 4.200 20 0 HIADMN COc1cc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)ccc1OCc1ccccc1 ZINC000540350664 939202763 /nfs/dbraw/zinc/20/27/63/939202763.db2.gz AHWWNHCQBNPTBC-YJBOKZPZSA-N 0 1 422.447 4.088 20 0 HIADMN C[C@@H](NCC(=O)NCc1ccc(Cl)s1)c1cccc(OCc2ccccn2)c1 ZINC000540351346 939202930 /nfs/dbraw/zinc/20/29/30/939202930.db2.gz HBUIINIXEJRXMR-OAHLLOKOSA-N 0 1 415.946 4.343 20 0 HIADMN CCOc1ccccc1[C@@H](CC)NCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000540351324 939203068 /nfs/dbraw/zinc/20/30/68/939203068.db2.gz ILXPAFSCYYYPFX-RTWAWAEBSA-N 0 1 424.541 4.261 20 0 HIADMN CC(C)[C@H](CNC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 ZINC000540354411 939204958 /nfs/dbraw/zinc/20/49/58/939204958.db2.gz OXNSXVJQJONPDT-MBSDFSHPSA-N 0 1 407.558 4.242 20 0 HIADMN CCOc1ccc2nc(NC(=O)CN[C@@H](C)c3ccccc3-n3cccn3)sc2c1 ZINC000540359493 939208608 /nfs/dbraw/zinc/20/86/08/939208608.db2.gz REUZUGABPMCISN-HNNXBMFYSA-N 0 1 421.526 4.170 20 0 HIADMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)n(C(C)(C)C)n1 ZINC000540362413 939210080 /nfs/dbraw/zinc/21/00/80/939210080.db2.gz WDUHOUIQPDTFMF-CQSZACIVSA-N 0 1 412.456 4.177 20 0 HIADMN C[C@@H](NCC(=O)N1CCSc2ccccc21)c1ccc(OCC(F)(F)F)cc1 ZINC000540362802 939210154 /nfs/dbraw/zinc/21/01/54/939210154.db2.gz FKOCGPKZDYEQBL-CQSZACIVSA-N 0 1 410.461 4.417 20 0 HIADMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(OCC(F)(F)F)cc1 ZINC000540363986 939211208 /nfs/dbraw/zinc/21/12/08/939211208.db2.gz XNWKQHISYMCSBZ-CQSZACIVSA-N 0 1 424.419 4.078 20 0 HIADMN CCN(Cc1ccccc1)C(=O)CN[C@H](C)c1ccc(OC)c(Br)c1 ZINC000540369961 939213640 /nfs/dbraw/zinc/21/36/40/939213640.db2.gz YHSWQYDHTQAPSK-OAHLLOKOSA-N 0 1 405.336 4.157 20 0 HIADMN COC(=O)c1ccccc1N(C)C(=O)CN[C@@H](C)c1ccc(-c2csc(C)n2)cc1 ZINC000540381517 939220585 /nfs/dbraw/zinc/22/05/85/939220585.db2.gz WBVSSAMXDKPLRQ-HNNXBMFYSA-N 0 1 423.538 4.219 20 0 HIADMN COc1cc(F)c([C@@H](C)NC[C@H](O)COc2cc(Cl)ccc2Cl)cc1OC ZINC000540386650 939223085 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ZINC000541473728 939530077 /nfs/dbraw/zinc/53/00/77/939530077.db2.gz LSUMAGAINBTQDU-UHFFFAOYSA-N 0 1 404.510 4.305 20 0 HIADMN C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000541487017 939533845 /nfs/dbraw/zinc/53/38/45/939533845.db2.gz REQWPGVJAOBRHD-DOTOQJQBSA-N 0 1 401.580 4.434 20 0 HIADMN COCc1cccc(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000541490882 939534616 /nfs/dbraw/zinc/53/46/16/939534616.db2.gz IMOAJLYTVYHBJZ-FQEVSTJZSA-N 0 1 411.550 4.088 20 0 HIADMN O=C(N[C@H]1CSc2ccccc21)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000541490633 939534718 /nfs/dbraw/zinc/53/47/18/939534718.db2.gz RPNNDMOOZSNKLP-WMZOPIPTSA-N 0 1 405.527 4.208 20 0 HIADMN Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)o1 ZINC000541507403 939539473 /nfs/dbraw/zinc/53/94/73/939539473.db2.gz BYPXUEHBSQNMNI-LPHOPBHVSA-N 0 1 407.518 4.283 20 0 HIADMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cnn(CCC(F)(F)F)c1 ZINC000541521931 939543679 /nfs/dbraw/zinc/54/36/79/939543679.db2.gz HTQZAVPGVXGFEB-UHFFFAOYSA-N 0 1 400.364 4.026 20 0 HIADMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccnc(OC2CCC(C)CC2)c1 ZINC000541543387 939548395 /nfs/dbraw/zinc/54/83/95/939548395.db2.gz HFBRWXSQCKUSJF-QPIRBTGLSA-N 0 1 412.530 4.442 20 0 HIADMN CC(C)(C)n1cc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cn1 ZINC000541542312 939548677 /nfs/dbraw/zinc/54/86/77/939548677.db2.gz NKAGMHJIPDYUBF-LJQANCHMSA-N 0 1 404.505 4.262 20 0 HIADMN O=C(C1CCC(N[C@@H](c2ccc(F)cc2)c2ccccn2)CC1)N1CCSCC1 ZINC000541544069 939549387 /nfs/dbraw/zinc/54/93/87/939549387.db2.gz OZCCYWVIJUSUTC-ZNIKRAEXSA-N 0 1 413.562 4.034 20 0 HIADMN Fc1ccc([C@H](CN[C@@H](c2ccccc2)c2ccc(F)cn2)N2CCOCC2)cc1 ZINC000541550488 939552639 /nfs/dbraw/zinc/55/26/39/939552639.db2.gz SJWVCRAOSBLUOT-ZEQRLZLVSA-N 0 1 409.480 4.112 20 0 HIADMN Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000541551948 939553301 /nfs/dbraw/zinc/55/33/01/939553301.db2.gz SRYMROZOBYINAS-XMMPIXPASA-N 0 1 421.516 4.485 20 0 HIADMN C[C@@H]1C[C@@H](CCN[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CCO1 ZINC000541559539 939555085 /nfs/dbraw/zinc/55/50/85/939555085.db2.gz VCZNKVTUPRWFFC-ZMPRRUGASA-N 0 1 423.525 4.253 20 0 HIADMN Cc1c([C@H](C)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cnn1-c1cc(C)ccc1C ZINC000541568532 939557052 /nfs/dbraw/zinc/55/70/52/939557052.db2.gz VOLJDOKIFZMZCQ-WMZHIEFXSA-N 0 1 417.557 4.034 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NC[C@H]2CCCCS2)c2ccc(F)cc2F)c1 ZINC000541569698 939557684 /nfs/dbraw/zinc/55/76/84/939557684.db2.gz LHJKGSPXBHCVJZ-UZLBHIALSA-N 0 1 411.539 4.333 20 0 HIADMN COc1ccc(C(=O)C[C@@H](C)C(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000541573973 939558413 /nfs/dbraw/zinc/55/84/13/939558413.db2.gz HUMCONBOEJWIDE-OAQYLSRUSA-N 0 1 422.569 4.071 20 0 HIADMN Cc1cccn2cc(COc3ccccc3C(=O)Nc3cccc(-c4cn[nH]n4)c3)nc12 ZINC000541580478 939559772 /nfs/dbraw/zinc/55/97/72/939559772.db2.gz MSSJGQCQFVFWSH-UHFFFAOYSA-N 0 1 424.464 4.259 20 0 HIADMN COc1ccc(C2(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)CCC2)cc1OC ZINC000541585984 939561170 /nfs/dbraw/zinc/56/11/70/939561170.db2.gz LWDVUWRCKUUOQB-IBGZPJMESA-N 0 1 412.530 4.062 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000541600184 939564426 /nfs/dbraw/zinc/56/44/26/939564426.db2.gz WJYPLNAYCMDCJA-ZBEGNZNMSA-N 0 1 414.859 4.172 20 0 HIADMN Cc1ccc(C)c(NC(=O)[C@@H](N[C@H](CC(N)=O)C2CCCCC2)c2ccccc2)c1 ZINC000541635918 939579074 /nfs/dbraw/zinc/57/90/74/939579074.db2.gz VKJMOXVFAKZMOP-VWNXMTODSA-N 0 1 407.558 4.397 20 0 HIADMN Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)NCC(=O)N1CCCC1 ZINC000541645295 939585498 /nfs/dbraw/zinc/58/54/98/939585498.db2.gz OQTBBSTUHHZEAE-GFCCVEGCSA-N 0 1 408.365 4.154 20 0 HIADMN COc1ccc2oc([C@H](C)N[C@H](C)C(=O)Nc3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000541653891 939589837 /nfs/dbraw/zinc/58/98/37/939589837.db2.gz RJDABIHGFGXCMN-LSDHHAIUSA-N 0 1 412.486 4.445 20 0 HIADMN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000541660099 939592560 /nfs/dbraw/zinc/59/25/60/939592560.db2.gz WKEBWTMIBPFRGM-HNNXBMFYSA-N 0 1 423.538 4.487 20 0 HIADMN C[C@H](NCc1csc(CC(=O)Nc2ccccc2)n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541685442 939601944 /nfs/dbraw/zinc/60/19/44/939601944.db2.gz BQGVXYIWCOCLMH-VBURHUQHSA-N 0 1 407.539 4.367 20 0 HIADMN CN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541699889 939608128 /nfs/dbraw/zinc/60/81/28/939608128.db2.gz NVYLDNLSWRRSQM-IEBWSBKVSA-N 0 1 408.420 4.218 20 0 HIADMN Cc1cc(C(=O)CN2CCC3(CCOCC3)[C@@H]2C)c(C)n1CCc1cccs1 ZINC000541718230 939613174 /nfs/dbraw/zinc/61/31/74/939613174.db2.gz GCRGMUJGNDTSQA-IBGZPJMESA-N 0 1 400.588 4.483 20 0 HIADMN CCN(CC)c1ccc(CN[C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000541735922 939616945 /nfs/dbraw/zinc/61/69/45/939616945.db2.gz JYGQMLCIQJIBOU-VXKWHMMOSA-N 0 1 415.603 4.111 20 0 HIADMN Brc1ccc(N2CC[C@H](N[C@H](c3ccccc3)c3cncnc3)C2)cc1 ZINC000541742576 939618593 /nfs/dbraw/zinc/61/85/93/939618593.db2.gz FHMZAQSVTFIDIF-PZJWPPBQSA-N 0 1 409.331 4.197 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000541769953 939626625 /nfs/dbraw/zinc/62/66/25/939626625.db2.gz QMKIRKZWOPXXJL-LJQANCHMSA-N 0 1 422.550 4.199 20 0 HIADMN Cc1ccc(CNC(=O)C2CCN(C/C=C\c3ccc(F)cc3F)CC2)cc1F ZINC000541773624 939626922 /nfs/dbraw/zinc/62/69/22/939626922.db2.gz FRBWIXRMIHHHAE-IHWYPQMZSA-N 0 1 402.460 4.454 20 0 HIADMN CCn1c(SCc2nc3ccc(Br)cc3[nH]2)nnc1-c1ccco1 ZINC000541784162 939629274 /nfs/dbraw/zinc/62/92/74/939629274.db2.gz DMQVKRMHKIDZAU-UHFFFAOYSA-N 0 1 404.293 4.489 20 0 HIADMN CCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC000541831861 939644451 /nfs/dbraw/zinc/64/44/51/939644451.db2.gz DJUAPMLXPRBNIO-VQIMIIECSA-N 0 1 423.944 4.068 20 0 HIADMN CN(CCN[C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000541844426 939646406 /nfs/dbraw/zinc/64/64/06/939646406.db2.gz JJUVVZKYJLHRLC-QHCPKHFHSA-N 0 1 412.530 4.045 20 0 HIADMN CCOC(=O)c1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n[nH]1 ZINC000541904372 939650630 /nfs/dbraw/zinc/65/06/30/939650630.db2.gz JSQBKXJSFAMKDX-UHFFFAOYSA-N 0 1 423.256 4.120 20 0 HIADMN CSC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000541912733 939651701 /nfs/dbraw/zinc/65/17/01/939651701.db2.gz IFGHKWJABFYERP-ZIAGYGMSSA-N 0 1 414.415 4.252 20 0 HIADMN COc1ccc([C@@H](CNCc2ncc(Br)s2)N2CCCCC2)cc1 ZINC000541996779 939674534 /nfs/dbraw/zinc/67/45/34/939674534.db2.gz RAYQWIMULNFGMK-MRXNPFEDSA-N 0 1 410.381 4.231 20 0 HIADMN COC(=O)c1ccccc1OCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000541998716 939675198 /nfs/dbraw/zinc/67/51/98/939675198.db2.gz DMIPCSFXJDUZAO-UHFFFAOYSA-N 0 1 401.890 4.100 20 0 HIADMN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1ccccc1-c1ccno1 ZINC000542008572 939683627 /nfs/dbraw/zinc/68/36/27/939683627.db2.gz TUFBWVIWRKGRSE-UHFFFAOYSA-N 0 1 407.451 4.116 20 0 HIADMN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000542009270 939683752 /nfs/dbraw/zinc/68/37/52/939683752.db2.gz YDYMRBHOEINKCB-UHFFFAOYSA-N 0 1 413.499 4.435 20 0 HIADMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cn1 ZINC000542018653 939688300 /nfs/dbraw/zinc/68/83/00/939688300.db2.gz RENQQYOZVJAMMP-UHFFFAOYSA-N 0 1 418.858 4.115 20 0 HIADMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1cccc2c1OCO2 ZINC000542027573 939691698 /nfs/dbraw/zinc/69/16/98/939691698.db2.gz XUZRYDDBJKVZRC-UHFFFAOYSA-N 0 1 401.894 4.102 20 0 HIADMN Cc1cc(C2CCN(CC(=O)Nc3ccc(N4CCc5ccccc54)cc3)CC2)[nH]n1 ZINC000542041673 939696826 /nfs/dbraw/zinc/69/68/26/939696826.db2.gz NCXVVRJGVAKRBQ-UHFFFAOYSA-N 0 1 415.541 4.230 20 0 HIADMN COc1cc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccc1OC(F)F ZINC000542055441 939700567 /nfs/dbraw/zinc/70/05/67/939700567.db2.gz VBCGMDBPPQBSRX-ZDUSSCGKSA-N 0 1 405.367 4.349 20 0 HIADMN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000542058012 939701155 /nfs/dbraw/zinc/70/11/55/939701155.db2.gz DBXSVUZOVJSNSA-QFIPXVFZSA-N 0 1 424.593 4.236 20 0 HIADMN CCC(C)(C)[C@H]1CCc2nc(NC(=O)[C@H]3CCCN3C3CCOCC3)sc2C1 ZINC000563720443 945265506 /nfs/dbraw/zinc/26/55/06/945265506.db2.gz AWZYZAFRTAXUPK-MAUKXSAKSA-N 0 1 405.608 4.266 20 0 HIADMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542092203 939708013 /nfs/dbraw/zinc/70/80/13/939708013.db2.gz AMFUFWYCHCYIII-LBPRGKRZSA-N 0 1 423.826 4.423 20 0 HIADMN CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000542122260 939721046 /nfs/dbraw/zinc/72/10/46/939721046.db2.gz CVWIOPQAGMHAHW-CABCVRRESA-N 0 1 404.352 4.104 20 0 HIADMN C[C@H]1COc2ccccc2CN1Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000542141176 939728232 /nfs/dbraw/zinc/72/82/32/939728232.db2.gz DDSOIXADJLNZSS-KRWDZBQOSA-N 0 1 405.498 4.032 20 0 HIADMN COC(=O)COc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1 ZINC000542146205 939730339 /nfs/dbraw/zinc/73/03/39/939730339.db2.gz YKYFDGJKZJYCQE-QFIPXVFZSA-N 0 1 410.901 4.360 20 0 HIADMN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)n1 ZINC000542165619 939740193 /nfs/dbraw/zinc/74/01/93/939740193.db2.gz GSZAUWVWMMRCJE-FQEVSTJZSA-N 0 1 416.460 4.082 20 0 HIADMN Cc1cc(F)ccc1-n1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)n1 ZINC000542165619 939740199 /nfs/dbraw/zinc/74/01/99/939740199.db2.gz GSZAUWVWMMRCJE-FQEVSTJZSA-N 0 1 416.460 4.082 20 0 HIADMN CC[C@H](c1nnc(SC[C@H](O)CN2CCc3ccccc3C2)o1)c1ccccc1 ZINC000542165508 939740424 /nfs/dbraw/zinc/74/04/24/939740424.db2.gz FOOYLMXFMIPCNS-RTWAWAEBSA-N 0 1 409.555 4.123 20 0 HIADMN O=C(CC1CCC(C(F)(F)F)CC1)NCC1(CN2CCOCC2)CCCCC1 ZINC000542166794 939741187 /nfs/dbraw/zinc/74/11/87/939741187.db2.gz BLMDEXOWJOJQKL-UHFFFAOYSA-N 0 1 404.517 4.144 20 0 HIADMN O=C(CCN1CCN(c2ccccn2)CC1)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000542180868 939747340 /nfs/dbraw/zinc/74/73/40/939747340.db2.gz KTIOLEWISVLEOD-RQWLHQTBSA-N 0 1 424.614 4.140 20 0 HIADMN Cc1csc(C2(N[C@@H](C)CC(=O)Nc3ccc(NC(=O)C4CC4)cc3)CCC2)n1 ZINC000542186703 939749438 /nfs/dbraw/zinc/74/94/38/939749438.db2.gz MWPRNTYOQRTMAN-AWEZNQCLSA-N 0 1 412.559 4.186 20 0 HIADMN COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)N2CCC(OCc3ccccc3)CC2)c1 ZINC000542254956 939773935 /nfs/dbraw/zinc/77/39/35/939773935.db2.gz UDTAAOJQMSBKDZ-CJFMBICVSA-N 0 1 422.569 4.286 20 0 HIADMN C[C@H](C[N@@H+](C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)c1nccs1 ZINC000542313520 939796332 /nfs/dbraw/zinc/79/63/32/939796332.db2.gz VGMPCKYTJASEQM-GFCCVEGCSA-N 0 1 414.531 4.483 20 0 HIADMN Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542371427 939809346 /nfs/dbraw/zinc/80/93/46/939809346.db2.gz IRINBQZQNQJMKQ-PZJWPPBQSA-N 0 1 401.514 4.357 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1)N1CCCC1 ZINC000542385297 939811762 /nfs/dbraw/zinc/81/17/62/939811762.db2.gz SPYHTPAGTKDWIQ-PXNSSMCTSA-N 0 1 411.550 4.130 20 0 HIADMN O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCC(=Cc2ccccc2F)CC1 ZINC000542401783 939815178 /nfs/dbraw/zinc/81/51/78/939815178.db2.gz HCANDXPLXHYMKY-DEOSSOPVSA-N 0 1 408.517 4.030 20 0 HIADMN CC(C)CSCCCNC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000542406522 939816358 /nfs/dbraw/zinc/81/63/58/939816358.db2.gz SQUJERWRZUJGGT-SFHVURJKSA-N 0 1 401.580 4.140 20 0 HIADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@H]1c1ccc(Br)s1 ZINC000542416868 939817723 /nfs/dbraw/zinc/81/77/23/939817723.db2.gz UZCSVKLBGUKYKD-ZDUSSCGKSA-N 0 1 403.305 4.273 20 0 HIADMN CC(C)c1ccc2cc(C(=O)N[C@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC001123371942 939821986 /nfs/dbraw/zinc/82/19/86/939821986.db2.gz HBVMVUIHWJGFKH-RUZDIDTESA-N 0 1 419.525 4.141 20 0 HIADMN O=C(NCCc1cc(F)ccc1F)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542437636 939822710 /nfs/dbraw/zinc/82/27/10/939822710.db2.gz FDNBEGIRWGDQPP-QGZVFWFLSA-N 0 1 417.504 4.262 20 0 HIADMN Cc1ccc(CCC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000542471360 939828557 /nfs/dbraw/zinc/82/85/57/939828557.db2.gz APLFEHXTCWAILA-LJQANCHMSA-N 0 1 402.420 4.279 20 0 HIADMN CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000542477628 939829814 /nfs/dbraw/zinc/82/98/14/939829814.db2.gz FIMBDTVDNQIVBF-VWLOTQADSA-N 0 1 422.617 4.188 20 0 HIADMN Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000542479985 939830578 /nfs/dbraw/zinc/83/05/78/939830578.db2.gz ZKCYBFOXIGNFDB-DEOSSOPVSA-N 0 1 421.516 4.485 20 0 HIADMN Cc1cccc2nc(CNCc3ncc(Br)cc3Br)[nH]c21 ZINC000542518513 939836315 /nfs/dbraw/zinc/83/63/15/939836315.db2.gz TVQJQGBPPZOSGJ-UHFFFAOYSA-N 0 1 410.113 4.081 20 0 HIADMN CC[C@H](NC[C@H](O)COc1ccc(Cl)cc1Br)c1nccs1 ZINC000542524027 939837204 /nfs/dbraw/zinc/83/72/04/939837204.db2.gz HAAMWRKTMQKXGC-AAEUAGOBSA-N 0 1 405.745 4.040 20 0 HIADMN CSc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000542529044 939837690 /nfs/dbraw/zinc/83/76/90/939837690.db2.gz KXTHIOSRXDFIJA-DGCLKSJQSA-N 0 1 414.497 4.462 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000542530548 939838123 /nfs/dbraw/zinc/83/81/23/939838123.db2.gz GVVGCSTWRNTVGK-TZMCWYRMSA-N 0 1 419.451 4.288 20 0 HIADMN Cc1cnc([C@H](NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C2CC2)s1 ZINC000542530465 939838238 /nfs/dbraw/zinc/83/82/38/939838238.db2.gz FCFHNUYCOKLRRB-OAHLLOKOSA-N 0 1 409.437 4.026 20 0 HIADMN Cc1c([C@H](C)NCC(=O)N(Cc2ccccc2)C(C)C)cnn1-c1ccc(F)cc1 ZINC000542541005 939840672 /nfs/dbraw/zinc/84/06/72/939840672.db2.gz YKMLYSQZXCPDAD-SFHVURJKSA-N 0 1 408.521 4.408 20 0 HIADMN C[C@@H]1N(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCC12CCOCC2 ZINC000542545216 939841633 /nfs/dbraw/zinc/84/16/33/939841633.db2.gz NIIWZRYSLGQRLV-SFHVURJKSA-N 0 1 419.997 4.153 20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)N[C@H]3CCCC[C@H]3C)s2)cc1 ZINC000542567753 939844689 /nfs/dbraw/zinc/84/46/89/939844689.db2.gz AQOLIWYEKRLRJT-VCBZYWHSSA-N 0 1 401.576 4.473 20 0 HIADMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)N[C@@H]3CCCC[C@@H]3C)s2)cc1 ZINC000542567756 939844728 /nfs/dbraw/zinc/84/47/28/939844728.db2.gz AQOLIWYEKRLRJT-YZVOILCLSA-N 0 1 401.576 4.473 20 0 HIADMN COc1ccc2oc([C@@H](C)NCC(=O)NCCc3nc4ccccc4s3)c(C)c2c1 ZINC000542580997 939845978 /nfs/dbraw/zinc/84/59/78/939845978.db2.gz FJLMMTYCBAMCHW-OAHLLOKOSA-N 0 1 423.538 4.369 20 0 HIADMN COc1ccc2oc([C@@H](C)N[C@H](C)C(=O)Nc3cccc(NC(C)=O)c3)c(C)c2c1 ZINC000542583731 939846241 /nfs/dbraw/zinc/84/62/41/939846241.db2.gz VUWSUZYMCUIFMS-HUUCEWRRSA-N 0 1 409.486 4.386 20 0 HIADMN COc1ccc2oc([C@H](C)NCC(=O)Nc3ccccc3N3CCCC3=O)c(C)c2c1 ZINC000542584297 939846428 /nfs/dbraw/zinc/84/64/28/939846428.db2.gz FZRPJXGFXGFVDH-INIZCTEOSA-N 0 1 421.497 4.166 20 0 HIADMN COc1ccc(NC(=O)CN[C@H](C)c2sc(-c3ccccc3)nc2C)c(OC)c1 ZINC000542590416 939846868 /nfs/dbraw/zinc/84/68/68/939846868.db2.gz JPAGYCVSIQUHEZ-CQSZACIVSA-N 0 1 411.527 4.425 20 0 HIADMN CN(CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000542629317 939850325 /nfs/dbraw/zinc/85/03/25/939850325.db2.gz ZMXIPHJZNLUDLB-HKUYNNGSSA-N 0 1 413.518 4.250 20 0 HIADMN CCOc1cc(CN2CCC(c3ccccc3C)CC2)nc2nc(C(F)(F)F)nn21 ZINC000542629595 939850346 /nfs/dbraw/zinc/85/03/46/939850346.db2.gz XKXLBISKRNEMDC-UHFFFAOYSA-N 0 1 419.451 4.230 20 0 HIADMN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000542672592 939853209 /nfs/dbraw/zinc/85/32/09/939853209.db2.gz UETCHMYENFOCAR-BZNIZROVSA-N 0 1 407.326 4.498 20 0 HIADMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000542704268 939855406 /nfs/dbraw/zinc/85/54/06/939855406.db2.gz CMUOSKFYSMJSBH-KPOBHBOGSA-N 0 1 411.926 4.070 20 0 HIADMN CN(Cc1ccc(OCC(F)(F)F)c(F)c1)Cc1ccccc1N1CCOCC1 ZINC000542704581 939855472 /nfs/dbraw/zinc/85/54/72/939855472.db2.gz GJOQTDPRYRFMQC-UHFFFAOYSA-N 0 1 412.427 4.235 20 0 HIADMN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000542767575 939859847 /nfs/dbraw/zinc/85/98/47/939859847.db2.gz CBZUGKQKVRKEHX-UHFFFAOYSA-N 0 1 420.494 4.254 20 0 HIADMN Cc1cc2c(cc1NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)OCO2 ZINC000542837131 939862042 /nfs/dbraw/zinc/86/20/42/939862042.db2.gz GZJQKCZMLABTPX-GOSISDBHSA-N 0 1 401.894 4.336 20 0 HIADMN CCc1ccc([C@@H](CO)NCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000542913495 939876731 /nfs/dbraw/zinc/87/67/31/939876731.db2.gz DXJQLOYKMYQCEA-CLJLJLNGSA-N 0 1 414.549 4.046 20 0 HIADMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000542915246 939877172 /nfs/dbraw/zinc/87/71/72/939877172.db2.gz PNGIVMVSGDXELF-GOSISDBHSA-N 0 1 419.378 4.448 20 0 HIADMN CCCc1c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cnn1-c1ccc(F)cc1 ZINC000542929988 939880186 /nfs/dbraw/zinc/88/01/86/939880186.db2.gz KITQHNVQYACSRJ-UHFFFAOYSA-N 0 1 421.476 4.136 20 0 HIADMN COC(=O)c1ccc(-c2nc(CSc3nc(-c4ccc(OC)cc4)n[nH]3)co2)cc1 ZINC000542941231 939882673 /nfs/dbraw/zinc/88/26/73/939882673.db2.gz VMQJZODVSUTZRE-UHFFFAOYSA-N 0 1 422.466 4.214 20 0 HIADMN CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N[C@@H](C)c1ccncc1CC ZINC000543052675 939910545 /nfs/dbraw/zinc/91/05/45/939910545.db2.gz PEDLVXLZFFCVIW-KBPBESRZSA-N 0 1 403.548 4.122 20 0 HIADMN O=C1[C@H](Nc2ccnc3cc(C(F)(F)F)ccc32)CCCN1Cc1ccccn1 ZINC000543137809 939965781 /nfs/dbraw/zinc/96/57/81/939965781.db2.gz PFQNSAXIHQGGJI-GOSISDBHSA-N 0 1 400.404 4.252 20 0 HIADMN Cc1ccc(C=Cc2n[nH]c(S[C@H](Cc3ccc(C(F)(F)F)cc3)C(N)=O)n2)o1 ZINC000543151570 939974718 /nfs/dbraw/zinc/97/47/18/939974718.db2.gz JCFXPFRNOGLSDF-XVJNWHFHSA-N 0 1 422.432 4.084 20 0 HIADMN COCC[C@@H](Cc1ccco1)NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000543234483 940003565 /nfs/dbraw/zinc/00/35/65/940003565.db2.gz RYBZSKWMVXUZQD-FPOVZHCZSA-N 0 1 419.953 4.017 20 0 HIADMN C[C@@H](CN(C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nccs1 ZINC000543236006 940003841 /nfs/dbraw/zinc/00/38/41/940003841.db2.gz RSMURAUVVAVFJE-YOEHRIQHSA-N 0 1 411.493 4.388 20 0 HIADMN CCOC(=O)c1sc2nc(CN3CC[C@@H](c4ccc(C)cc4)C3)nc(N)c2c1C ZINC000543246109 940007441 /nfs/dbraw/zinc/00/74/41/940007441.db2.gz KBARKHDRZKHEMC-MRXNPFEDSA-N 0 1 410.543 4.057 20 0 HIADMN COc1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1OC1CCCC1 ZINC000543251056 940008353 /nfs/dbraw/zinc/00/83/53/940008353.db2.gz GVTIWMPTPCVIMA-UHFFFAOYSA-N 0 1 423.557 4.016 20 0 HIADMN Cc1cc(C2CCN(C(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000543295794 940021020 /nfs/dbraw/zinc/02/10/20/940021020.db2.gz BDVOEDCYRRPGAG-UHFFFAOYSA-N 0 1 404.392 4.412 20 0 HIADMN COCC[C@H](Cc1ccco1)NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000543307513 940024482 /nfs/dbraw/zinc/02/44/82/940024482.db2.gz KTHJKEMPGVKTCS-UTKZUKDTSA-N 0 1 419.953 4.017 20 0 HIADMN Cc1nc(-c2ccccc2)sc1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000543319946 940028639 /nfs/dbraw/zinc/02/86/39/940028639.db2.gz DAUUJTLXPWAABH-UHFFFAOYSA-N 0 1 408.462 4.364 20 0 HIADMN Cc1nc(-c2ccccc2)sc1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000543319946 940028644 /nfs/dbraw/zinc/02/86/44/940028644.db2.gz DAUUJTLXPWAABH-UHFFFAOYSA-N 0 1 408.462 4.364 20 0 HIADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)Cn2ccc3ccccc32)c1 ZINC000563765776 945291292 /nfs/dbraw/zinc/29/12/92/945291292.db2.gz JVCRUFSXAVEVLO-SFHVURJKSA-N 0 1 406.530 4.196 20 0 HIADMN Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)s1 ZINC000543347735 940037551 /nfs/dbraw/zinc/03/75/51/940037551.db2.gz BLBCGWQWIBLVGX-CRAIPNDOSA-N 0 1 409.559 4.362 20 0 HIADMN O=C(CCc1ccc(Cl)s1)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000543403840 940052922 /nfs/dbraw/zinc/05/29/22/940052922.db2.gz WGOUCYFYFDODEY-HNNXBMFYSA-N 0 1 414.840 4.377 20 0 HIADMN C[C@H](CCOc1ccccc1)C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000543404974 940054113 /nfs/dbraw/zinc/05/41/13/940054113.db2.gz NFRSTMYOOULCBX-RDTXWAMCSA-N 0 1 418.419 4.134 20 0 HIADMN Cc1cc(N2CCC(N[C@H](c3cccnc3)c3ccc(F)cc3F)CC2)nc(C)n1 ZINC000543405121 940054161 /nfs/dbraw/zinc/05/41/61/940054161.db2.gz VWHVQQMZYAELCO-HSZRJFAPSA-N 0 1 409.484 4.115 20 0 HIADMN Cc1ccc(/C=C\CC(=O)N[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000543406136 940054716 /nfs/dbraw/zinc/05/47/16/940054716.db2.gz ZXERTIURZJRXLR-GHMGLMHVSA-N 0 1 400.404 4.441 20 0 HIADMN Cc1cc([C@@H](NC[C@H]2CN(Cc3ccccc3)CCO2)c2cccnc2)ccc1F ZINC000543406697 940054941 /nfs/dbraw/zinc/05/49/41/940054941.db2.gz OVRNHDHWGQKMQH-UKILVPOCSA-N 0 1 405.517 4.109 20 0 HIADMN CCCC(=O)Nc1cccc(CN[C@@H](CN2CCOCC2)c2ccc(CC)cc2)c1 ZINC000543407203 940055268 /nfs/dbraw/zinc/05/52/68/940055268.db2.gz WUAZJWQINFSAMQ-DEOSSOPVSA-N 0 1 409.574 4.151 20 0 HIADMN Cc1c([C@@H](C)NCCCc2nc(-c3ccc(F)cc3)no2)nnn1-c1ccc(C)cc1 ZINC000543427202 940061102 /nfs/dbraw/zinc/06/11/02/940061102.db2.gz HDACDANEADDDIG-MRXNPFEDSA-N 0 1 420.492 4.357 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NC[C@H]2CCCCS2)c2ccc(F)c(F)c2)c1 ZINC000543427619 940061142 /nfs/dbraw/zinc/06/11/42/940061142.db2.gz QITOWZODCIPCHR-UZLBHIALSA-N 0 1 411.539 4.333 20 0 HIADMN Fc1ccc(OCCCNCc2ncc(Br)cc2Br)cc1 ZINC000543447285 940066191 /nfs/dbraw/zinc/06/61/91/940066191.db2.gz BHKZZFQZKNMBJI-UHFFFAOYSA-N 0 1 418.104 4.304 20 0 HIADMN CC[C@@H](NCC(=O)NCCC(c1ccccc1)c1ccccc1)c1c(C)nn(C)c1C ZINC000543457399 940068114 /nfs/dbraw/zinc/06/81/14/940068114.db2.gz KEVGNAPUKKPMRB-XMMPIXPASA-N 0 1 418.585 4.416 20 0 HIADMN CCOc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)cc1 ZINC000543459527 940069508 /nfs/dbraw/zinc/06/95/08/940069508.db2.gz VNUQJJZHIXRQAN-GXTWGEPZSA-N 0 1 412.456 4.139 20 0 HIADMN CC(C)[C@H](NCC[S@](=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000543472660 940075255 /nfs/dbraw/zinc/07/52/55/940075255.db2.gz YZOZHAVTTVFOKT-QLXKLKPCSA-N 0 1 411.358 4.131 20 0 HIADMN Cc1cnc([C@H](C)CNC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000543476756 940077264 /nfs/dbraw/zinc/07/72/64/940077264.db2.gz VDAAXPXTXKUCNU-OAHLLOKOSA-N 0 1 421.010 4.420 20 0 HIADMN Cc1cnc([C@@H](C)CNC(=O)N2CCN(Cc3cccc4ccccc43)CC2)s1 ZINC000543488418 940081137 /nfs/dbraw/zinc/08/11/37/940081137.db2.gz MQOUJDDOVJWIRI-KRWDZBQOSA-N 0 1 408.571 4.236 20 0 HIADMN COc1ccc2oc([C@@H](C)NCC(=O)NCCCOC3CCCCC3)c(C)c2c1 ZINC000543509661 940089415 /nfs/dbraw/zinc/08/94/15/940089415.db2.gz NYOGSLOJXOURMA-QGZVFWFLSA-N 0 1 402.535 4.256 20 0 HIADMN COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccc(Br)cn3)c(C)c2c1 ZINC000543511252 940090469 /nfs/dbraw/zinc/09/04/69/940090469.db2.gz KFQVVJMJKGHICT-GFCCVEGCSA-N 0 1 418.291 4.197 20 0 HIADMN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000543516745 940092712 /nfs/dbraw/zinc/09/27/12/940092712.db2.gz ZUDZIEOIHFMCTM-IIBYNOLFSA-N 0 1 421.566 4.086 20 0 HIADMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCC(=O)N1CC(=O)Nc2ccccc21 ZINC000543519322 940094335 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Clc1cc2ncc(NCc3n[nH]c(COc4ccccc4)n3)nc2cc1Cl ZINC000302237098 854555376 /nfs/dbraw/zinc/55/53/76/854555376.db2.gz GGYGCNCXLABBGG-UHFFFAOYSA-N 0 1 401.257 4.246 20 0 HIADMN CC(C)OCCN1CCC(Nc2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1 ZINC000302511486 854578123 /nfs/dbraw/zinc/57/81/23/854578123.db2.gz OGFIVDIZEXBECB-UHFFFAOYSA-N 0 1 419.982 4.413 20 0 HIADMN CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000302697675 854606916 /nfs/dbraw/zinc/60/69/16/854606916.db2.gz KVZAWGFNHDBWDT-UHFFFAOYSA-N 0 1 417.918 4.128 20 0 HIADMN COc1ccc(-c2n[nH]c(Sc3cc(Cl)nc(C)n3)n2)cc1Br ZINC000302717195 854611130 /nfs/dbraw/zinc/61/11/30/854611130.db2.gz YQNFQUXHLAFWFO-UHFFFAOYSA-N 0 1 412.700 4.146 20 0 HIADMN NC(=O)c1c(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)sc2c1CCCC2 ZINC000302766832 854627228 /nfs/dbraw/zinc/62/72/28/854627228.db2.gz VVDFQMHTSXUWLY-IBGZPJMESA-N 0 1 417.962 4.059 20 0 HIADMN CCCCn1c(=S)n(CN2CCN(c3ccccc3)CC2)nc1[C@@H](CC)N(C)C ZINC000302798185 854636384 /nfs/dbraw/zinc/63/63/84/854636384.db2.gz 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ZINC000302906644 854674468 /nfs/dbraw/zinc/67/44/68/854674468.db2.gz ALUOGPMIJZCRCL-UHFFFAOYSA-N 0 1 406.570 4.149 20 0 HIADMN C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1CCCN(c2ccccc2)CC1 ZINC000302939454 854688900 /nfs/dbraw/zinc/68/89/00/854688900.db2.gz HJPXUSHGKIBIFL-KRWDZBQOSA-N 0 1 403.929 4.038 20 0 HIADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(CCNS(=O)(=O)c1ccccc1)C1CC1 ZINC000302959509 854696526 /nfs/dbraw/zinc/69/65/26/854696526.db2.gz GFTMPJDSVXKMFA-HNNXBMFYSA-N 0 1 412.477 4.209 20 0 HIADMN COc1ccc2[nH]cc(C3CCN([C@@H](C)C(=O)NCc4ccccc4C)CC3)c2c1 ZINC000303008707 854721137 /nfs/dbraw/zinc/72/11/37/854721137.db2.gz MGSACTFMKLDUEB-SFHVURJKSA-N 0 1 405.542 4.369 20 0 HIADMN CCCCc1nc2ccc(NC(=O)[C@@H](NC(=O)c3ccccc3F)C(C)C)cc2[nH]1 ZINC000303014576 854724110 /nfs/dbraw/zinc/72/41/10/854724110.db2.gz NLAOUFFZTANALF-NRFANRHFSA-N 0 1 410.493 4.438 20 0 HIADMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000303033237 854732056 /nfs/dbraw/zinc/73/20/56/854732056.db2.gz OKYWJRUMBRUCAG-UHFFFAOYSA-N 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O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000303140123 854781578 /nfs/dbraw/zinc/78/15/78/854781578.db2.gz UDYAPBDPQWINRK-AWEZNQCLSA-N 0 1 408.889 4.475 20 0 HIADMN CCOCCOc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000303154033 854788273 /nfs/dbraw/zinc/78/82/73/854788273.db2.gz FWXQWIDGDRGJIF-IBGZPJMESA-N 0 1 423.916 4.319 20 0 HIADMN CCOC(=O)[C@@H]1CC[C@H](NCc2csc(-c3cccc(Br)c3)n2)C1 ZINC000437335479 862605880 /nfs/dbraw/zinc/60/58/80/862605880.db2.gz DQJSPRZSSIEJBP-HIFRSBDPSA-N 0 1 409.349 4.394 20 0 HIADMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(F)cc2C(F)(F)F)N2CCCC2)o1 ZINC000303192735 854810574 /nfs/dbraw/zinc/81/05/74/854810574.db2.gz ZLYQWWNZYGKKSU-QGZVFWFLSA-N 0 1 413.415 4.382 20 0 HIADMN CCOc1c(Cl)cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1OC ZINC000303191907 854810733 /nfs/dbraw/zinc/81/07/33/854810733.db2.gz ZIUBEBZRHIUHSU-QGZVFWFLSA-N 0 1 406.910 4.216 20 0 HIADMN Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000303196519 854812282 /nfs/dbraw/zinc/81/22/82/854812282.db2.gz GPKDXRGNQAMXDB-UHFFFAOYSA-N 0 1 421.526 4.164 20 0 HIADMN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)/C=C/c2cccc(OC3CCCC3)c2)C[C@@H](C)O1 ZINC000303219788 854822255 /nfs/dbraw/zinc/82/22/55/854822255.db2.gz UPBZRFDNMOZROJ-XUDRJMQCSA-N 0 1 412.574 4.121 20 0 HIADMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000303264962 854841705 /nfs/dbraw/zinc/84/17/05/854841705.db2.gz QBHJEHBMRQFBIK-JOCHJYFZSA-N 0 1 408.542 4.204 20 0 HIADMN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(Cc4ccccc4)C(C)(C)C3)cc2)n1 ZINC000303277290 854847992 /nfs/dbraw/zinc/84/79/92/854847992.db2.gz SWCZUKHUJZZVFG-UHFFFAOYSA-N 0 1 402.542 4.226 20 0 HIADMN Cc1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)nn1C(C)(C)C ZINC000303291190 854855007 /nfs/dbraw/zinc/85/50/07/854855007.db2.gz KZYPCNQRTGDMSF-UHFFFAOYSA-N 0 1 402.970 4.242 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccco1 ZINC000303290750 854855160 /nfs/dbraw/zinc/85/51/60/854855160.db2.gz MKJPWXZNNTWKGC-HKUYNNGSSA-N 0 1 419.497 4.181 20 0 HIADMN CC(=O)c1ccc(NC(=O)CCN(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000303340610 854881529 /nfs/dbraw/zinc/88/15/29/854881529.db2.gz DBRRRVVUQANZPS-UHFFFAOYSA-N 0 1 423.340 4.409 20 0 HIADMN C[C@H](CNC(=O)Cc1[nH]nc2ccccc21)Sc1ccc(Br)cc1 ZINC000303351275 854887205 /nfs/dbraw/zinc/88/72/05/854887205.db2.gz FUHLSHDJRYJJMD-GFCCVEGCSA-N 0 1 404.333 4.165 20 0 HIADMN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303371241 854896581 /nfs/dbraw/zinc/89/65/81/854896581.db2.gz LOGBFSKBVRQJGU-AWEZNQCLSA-N 0 1 414.456 4.371 20 0 HIADMN CCCO[C@@H]1CCCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000303383991 854902728 /nfs/dbraw/zinc/90/27/28/854902728.db2.gz NEJOYYNQLXQUQB-LJQANCHMSA-N 0 1 415.559 4.220 20 0 HIADMN O=C(NC1CCN(Cc2ccccn2)CC1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000303399946 854907799 /nfs/dbraw/zinc/90/77/99/854907799.db2.gz QQNAMPFUCCRUDP-XMMPIXPASA-N 0 1 417.557 4.464 20 0 HIADMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303400471 854908894 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COC(=O)c1cc2cc(CN(CCc3ccccn3)Cc3cccnc3)ccc2o1 ZINC000430335924 858125339 /nfs/dbraw/zinc/12/53/39/858125339.db2.gz BVYKNOIASVOXBK-UHFFFAOYSA-N 0 1 401.466 4.254 20 0 HIADMN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430341055 858126972 /nfs/dbraw/zinc/12/69/72/858126972.db2.gz GHYYZZSBBOZGMV-HZPDHXFCSA-N 0 1 419.447 4.017 20 0 HIADMN CC(C)(c1ccc(NC(=O)c2cc(F)ccc2NS(C)(=O)=O)cc1)C(F)(F)F ZINC000430351550 858131126 /nfs/dbraw/zinc/13/11/26/858131126.db2.gz BUPWWJNZRZJTBC-UHFFFAOYSA-N 0 1 418.412 4.289 20 0 HIADMN C[C@@H](CC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000430436427 858162178 /nfs/dbraw/zinc/16/21/78/858162178.db2.gz IQFPZMYKDCIMGI-KBXCAEBGSA-N 0 1 402.420 4.417 20 0 HIADMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000430440955 858165571 /nfs/dbraw/zinc/16/55/71/858165571.db2.gz VICBGDVFEVUGLY-FGTMMUONSA-N 0 1 400.404 4.027 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(Cl)cc1F ZINC000437657115 862995006 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20 0 HIADMN COc1ccc(OCc2nc(CN(C)Cc3cc(C(C)(C)C)[nH]n3)cs2)cc1 ZINC000447063152 870943214 /nfs/dbraw/zinc/94/32/14/870943214.db2.gz JCOJBVKKMGQMPJ-UHFFFAOYSA-N 0 1 400.548 4.383 20 0 HIADMN C[C@H](N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000468486591 882460300 /nfs/dbraw/zinc/46/03/00/882460300.db2.gz ICUZAFUZTDNSRL-ZBEGNZNMSA-N 0 1 423.826 4.183 20 0 HIADMN Cc1nn(C(C)(C)C)c(C)c1CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000447078803 870965770 /nfs/dbraw/zinc/96/57/70/870965770.db2.gz RUGWMQIJHBYBMW-UHFFFAOYSA-N 0 1 416.367 4.493 20 0 HIADMN O=[S@@](Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Cc1n[nH]c(C2CC2)n1 ZINC000447089734 870983058 /nfs/dbraw/zinc/98/30/58/870983058.db2.gz KABWMTWGXDPFCH-MHZLTWQESA-N 0 1 412.462 4.273 20 0 HIADMN COc1ccc(F)c(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000447141686 871042671 /nfs/dbraw/zinc/04/26/71/871042671.db2.gz CAHLLUGXGJEPQN-OAHLLOKOSA-N 0 1 411.399 4.249 20 0 HIADMN Cc1ccc2[nH]cc(CCC(=O)NCc3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)c2c1 ZINC000468490797 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O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccccc1OCc1ccc(F)cc1 ZINC000463381612 876436859 /nfs/dbraw/zinc/43/68/59/876436859.db2.gz OGQTWOZCLGWQFL-UHFFFAOYSA-N 0 1 416.456 4.162 20 0 HIADMN C[C@@H]1CCc2onc(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)c2C1 ZINC000468962061 883029675 /nfs/dbraw/zinc/02/96/75/883029675.db2.gz LMFOYZXMWBNBCQ-OAHLLOKOSA-N 0 1 401.938 4.095 20 0 HIADMN Oc1ccc2c(c1)C1(CC1)CN(C[C@H](O)COC(c1ccccc1)c1ccccc1)C2 ZINC000463429795 876484230 /nfs/dbraw/zinc/48/42/30/876484230.db2.gz KYTMGLGEKKFPIN-DEOSSOPVSA-N 0 1 415.533 4.407 20 0 HIADMN OC[C@@]1(c2ccccc2)CCN(Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000463434962 876491661 /nfs/dbraw/zinc/49/16/61/876491661.db2.gz QJXCKCVVNAHCQW-HXUWFJFHSA-N 0 1 404.297 4.179 20 0 HIADMN CC(C)n1cc(Br)cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000463437744 876496092 /nfs/dbraw/zinc/49/60/92/876496092.db2.gz UBWOTZUBVIKEMM-INIZCTEOSA-N 0 1 410.381 4.460 20 0 HIADMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000463438911 876496132 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4.457 20 0 HIADMN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000467113864 880872108 /nfs/dbraw/zinc/87/21/08/880872108.db2.gz GXRJJZRAEGGTHX-OAQYLSRUSA-N 0 1 411.509 4.341 20 0 HIADMN Cc1ccc2nc(CNC(=O)Cc3csc(Cc4cccc(Cl)c4)n3)[nH]c2c1 ZINC000467124646 880878676 /nfs/dbraw/zinc/87/86/76/880878676.db2.gz DRAHJPXNMXNGOO-UHFFFAOYSA-N 0 1 410.930 4.431 20 0 HIADMN C[C@H](c1ccccc1)N(CCC(=O)Nc1ccccc1Oc1ccccc1)CC(N)=O ZINC000467136712 880882838 /nfs/dbraw/zinc/88/28/38/880882838.db2.gz BPXTUGIWBUXRPS-LJQANCHMSA-N 0 1 417.509 4.356 20 0 HIADMN CN(Cc1ccccc1)c1ccccc1NC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000467157461 880891283 /nfs/dbraw/zinc/89/12/83/880891283.db2.gz HIYKKJPKAJIOPT-JOCHJYFZSA-N 0 1 412.497 4.352 20 0 HIADMN Cc1cc(Br)cc(C)c1NC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467167853 880896908 /nfs/dbraw/zinc/89/69/08/880896908.db2.gz FKJFFVLDWYDQEV-INIZCTEOSA-N 0 1 400.280 4.095 20 0 HIADMN COC(=O)COc1ccc([C@H](C)NCc2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000467172625 880901187 /nfs/dbraw/zinc/90/11/87/880901187.db2.gz ALFPJTXHJOVXQA-LBPRGKRZSA-N 0 1 408.285 4.044 20 0 HIADMN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1)[C@@H]1CCCc2[nH]ncc21 ZINC000467191161 880919213 /nfs/dbraw/zinc/91/92/13/880919213.db2.gz NMGMMNKVRNXRME-OFNKIYASSA-N 0 1 414.509 4.446 20 0 HIADMN O=C(Nc1nc(-c2cccc(Br)c2)cs1)[C@@H]1CCCc2[nH]ncc21 ZINC000467195149 880922947 /nfs/dbraw/zinc/92/29/47/880922947.db2.gz FQXZKEUIJMTARP-GFCCVEGCSA-N 0 1 403.305 4.354 20 0 HIADMN COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3-c3nnc[nH]3)s2)c(F)c1 ZINC000503554495 912625065 /nfs/dbraw/zinc/62/50/65/912625065.db2.gz RHEIKZFGGYLKLR-UHFFFAOYSA-N 0 1 409.446 4.304 20 0 HIADMN O=C(Nc1cc2c(cc1Sc1ccccc1)OCCO2)[C@@H]1CCCc2[nH]ncc21 ZINC000467258596 880995340 /nfs/dbraw/zinc/99/53/40/880995340.db2.gz IVBZZUJVYRECMP-OAHLLOKOSA-N 0 1 407.495 4.391 20 0 HIADMN CCC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1 ZINC000467272367 881012021 /nfs/dbraw/zinc/01/20/21/881012021.db2.gz BOVKGRZFUGWBNI-QGZVFWFLSA-N 0 1 416.543 4.148 20 0 HIADMN COc1cc(CCNC(=O)CN[C@@H](C)c2cc3ccccc3o2)ccc1OC(F)F ZINC000467272768 881014605 /nfs/dbraw/zinc/01/46/05/881014605.db2.gz HZLZWOZVHNVNMM-AWEZNQCLSA-N 0 1 418.440 4.052 20 0 HIADMN COCc1cccc(CN(C)Cc2cccc(Br)c2OCC(C)(C)O)c1 ZINC000467274623 881018907 /nfs/dbraw/zinc/01/89/07/881018907.db2.gz YMMLFROGYCLFAC-UHFFFAOYSA-N 0 1 422.363 4.377 20 0 HIADMN CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc2)cc1 ZINC000467286001 881031879 /nfs/dbraw/zinc/03/18/79/881031879.db2.gz OCHWGLRCZPUSHK-IBGZPJMESA-N 0 1 404.470 4.119 20 0 HIADMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000467292973 881038949 /nfs/dbraw/zinc/03/89/49/881038949.db2.gz XDJUYBLDVARLDM-IAGOWNOFSA-N 0 1 423.395 4.220 20 0 HIADMN C[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000467334511 881085069 /nfs/dbraw/zinc/08/50/69/881085069.db2.gz XCDIGOSXPKROLI-FQEVSTJZSA-N 0 1 402.542 4.004 20 0 HIADMN COc1ccccc1-c1noc([C@H](C)N[C@@H](C)Cc2cc(OC)c(OC)cc2C)n1 ZINC000503565217 912642883 /nfs/dbraw/zinc/64/28/83/912642883.db2.gz LOBHEZCZJMUUMU-HOTGVXAUSA-N 0 1 411.502 4.353 20 0 HIADMN CC(C)(C)c1cnc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)s1 ZINC000467360272 881125355 /nfs/dbraw/zinc/12/53/55/881125355.db2.gz XBYJXGGVPUUYON-CYBMUJFWSA-N 0 1 424.452 4.489 20 0 HIADMN COc1cc2c(cc1F)CC[C@H]2NCc1ccc(OCCOc2ccccc2)nc1 ZINC000467375643 881150378 /nfs/dbraw/zinc/15/03/78/881150378.db2.gz GAPFVFXFIOMCMZ-JOCHJYFZSA-N 0 1 408.473 4.464 20 0 HIADMN O=C(Nc1ccc(Cl)c(Br)c1)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000467373747 881150410 /nfs/dbraw/zinc/15/04/10/881150410.db2.gz PHEQIMOVVRIOHY-AWEZNQCLSA-N 0 1 406.671 4.132 20 0 HIADMN Cc1cccnc1[C@H]1CCC[C@H](Nc2ccc3[nH]c(CCN4CCOCC4)nc3c2)C1 ZINC000467391208 881174067 /nfs/dbraw/zinc/17/40/67/881174067.db2.gz RLLDRIGZJOJTPV-PMACEKPBSA-N 0 1 419.573 4.279 20 0 HIADMN Cc1ccc(-c2nnc([C@H](C)NC[C@@H](c3cccs3)N3CCOCC3)o2)cc1C ZINC000467408917 881194346 /nfs/dbraw/zinc/19/43/46/881194346.db2.gz RPIMAAQLWJRVLT-HKUYNNGSSA-N 0 1 412.559 4.139 20 0 HIADMN COc1ccc2c(c1)[C@@H](NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)CCS2 ZINC000467420707 881208525 /nfs/dbraw/zinc/20/85/25/881208525.db2.gz SOMXYCJOGYWHNU-FQEVSTJZSA-N 0 1 420.600 4.051 20 0 HIADMN COCc1cccc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)c1 ZINC000467429237 881222376 /nfs/dbraw/zinc/22/23/76/881222376.db2.gz NXBTVDLHRDKFFM-UHFFFAOYSA-N 0 1 424.238 4.415 20 0 HIADMN COc1cc(F)c(S(=O)(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)cc1OC ZINC000467429334 881222930 /nfs/dbraw/zinc/22/29/30/881222930.db2.gz WQPCIZNBSKJTGT-HNNXBMFYSA-N 0 1 422.522 4.331 20 0 HIADMN CN1CCN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C2(CCCCC2)C1 ZINC000467459453 881268066 /nfs/dbraw/zinc/26/80/66/881268066.db2.gz QLOPKPLZMXRNPV-UHFFFAOYSA-N 0 1 421.570 4.086 20 0 HIADMN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000467466654 881281688 /nfs/dbraw/zinc/28/16/88/881281688.db2.gz WHURACYKMSLDCN-UHFFFAOYSA-N 0 1 412.465 4.169 20 0 HIADMN CN1CCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C2(CCCCC2)C1 ZINC000467478176 881299947 /nfs/dbraw/zinc/29/99/47/881299947.db2.gz UBNJOAIOOCNNLJ-UHFFFAOYSA-N 0 1 418.541 4.004 20 0 HIADMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000467494964 881313204 /nfs/dbraw/zinc/31/32/04/881313204.db2.gz MOIMKDROWLAKDK-UHFFFAOYSA-N 0 1 406.392 4.023 20 0 HIADMN C[C@H](Cc1ccc(O)cc1)N(C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000467497337 881314893 /nfs/dbraw/zinc/31/48/93/881314893.db2.gz WNVXCIBABODCAQ-CYBMUJFWSA-N 0 1 417.481 4.295 20 0 HIADMN Cc1ccc(-c2cncc(C(=O)Nc3ccc4nc(N5CCOCC5)[nH]c4c3)c2)cc1 ZINC000467514297 881329079 /nfs/dbraw/zinc/32/90/79/881329079.db2.gz PWTSSHWPVUJENB-UHFFFAOYSA-N 0 1 413.481 4.022 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000469057782 883130876 /nfs/dbraw/zinc/13/08/76/883130876.db2.gz NTLVRKGKQDRNQR-PXAZEXFGSA-N 0 1 424.467 4.190 20 0 HIADMN COCCOc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cc1 ZINC000469066414 883143960 /nfs/dbraw/zinc/14/39/60/883143960.db2.gz WPMMKSDXZRPOLB-UHFFFAOYSA-N 0 1 418.540 4.253 20 0 HIADMN CN(C)[C@@H]1CCOc2c(NC(=O)COc3ccccc3OCC(F)(F)F)cccc21 ZINC000469090078 883176869 /nfs/dbraw/zinc/17/68/69/883176869.db2.gz RYXILYQQTYHLLD-MRXNPFEDSA-N 0 1 424.419 4.030 20 0 HIADMN O=C(c1ccnc(Oc2ccc(F)cc2F)c1)N1CCN(C2CCCCC2)CC1 ZINC000469092410 883181002 /nfs/dbraw/zinc/18/10/02/883181002.db2.gz QYKFQZPZHPOLBP-UHFFFAOYSA-N 0 1 401.457 4.243 20 0 HIADMN CC(=O)c1ccc(OCC(=O)Nc2cccc(CN3CCSCC3)c2)c(Cl)c1 ZINC000469115806 883209832 /nfs/dbraw/zinc/20/98/32/883209832.db2.gz ZXILRKPJDQEGGT-UHFFFAOYSA-N 0 1 418.946 4.109 20 0 HIADMN CCOc1ccc([C@@H](NC(=O)CCCCc2cn[nH]n2)c2cccc(Cl)c2)cc1 ZINC000469126961 883221215 /nfs/dbraw/zinc/22/12/15/883221215.db2.gz SGWSKTLGJGZEBL-JOCHJYFZSA-N 0 1 412.921 4.475 20 0 HIADMN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1N1CCCC1 ZINC000469136002 883232340 /nfs/dbraw/zinc/23/23/40/883232340.db2.gz RPHNMNUSTOOBMV-OAHLLOKOSA-N 0 1 424.950 4.155 20 0 HIADMN O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000469168507 883265602 /nfs/dbraw/zinc/26/56/02/883265602.db2.gz ZQJWHJUYGAIPKW-QGZVFWFLSA-N 0 1 415.266 4.351 20 0 HIADMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000469174662 883274660 /nfs/dbraw/zinc/27/46/60/883274660.db2.gz IMIIOBXDUGXHCN-VLIAUNLRSA-N 0 1 404.505 4.067 20 0 HIADMN COc1cc(Br)ccc1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000469189785 883290015 /nfs/dbraw/zinc/29/00/15/883290015.db2.gz WCSPILJADUMANQ-MRXNPFEDSA-N 0 1 405.292 4.095 20 0 HIADMN O=C(CCN1CCN(c2ccccn2)CC1)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000469200901 883301084 /nfs/dbraw/zinc/30/10/84/883301084.db2.gz ZRQITCUFZQNHEL-UHFFFAOYSA-N 0 1 424.932 4.074 20 0 HIADMN O=C(CCCCc1cn[nH]n1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000469222263 883322945 /nfs/dbraw/zinc/32/29/45/883322945.db2.gz MEHQDJMALZWOQW-UHFFFAOYSA-N 0 1 411.333 4.142 20 0 HIADMN CCN(CC)[C@@H](C(=O)Nc1cc(OC)c(OC)cc1Br)c1ccccc1 ZINC000469230696 883329808 /nfs/dbraw/zinc/32/98/08/883329808.db2.gz TUPFHOFGTNIFHB-LJQANCHMSA-N 0 1 421.335 4.488 20 0 HIADMN CCOC(=O)[C@](C)(CN[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1)c1ccccc1 ZINC000469240879 883340494 /nfs/dbraw/zinc/34/04/94/883340494.db2.gz PXMBFKHRGHAARC-RCDICMHDSA-N 0 1 413.543 4.185 20 0 HIADMN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)CCCCc1cn[nH]n1 ZINC000469246758 883343821 /nfs/dbraw/zinc/34/38/21/883343821.db2.gz OSNNIGSRVFWNAF-UHFFFAOYSA-N 0 1 406.465 4.157 20 0 HIADMN C[C@@H]1C[C@H](NCc2ccc(S(C)(=O)=O)s2)c2cccc(Br)c21 ZINC000469246068 883344094 /nfs/dbraw/zinc/34/40/94/883344094.db2.gz QOOGOVIWOWVYPY-YGRLFVJLSA-N 0 1 400.363 4.252 20 0 HIADMN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000469348666 883467149 /nfs/dbraw/zinc/46/71/49/883467149.db2.gz RDTHSZZBIJZQEN-GOSISDBHSA-N 0 1 416.909 4.071 20 0 HIADMN O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469374941 883503215 /nfs/dbraw/zinc/50/32/15/883503215.db2.gz ICUZPLPJUUOWMK-GOSISDBHSA-N 0 1 424.438 4.264 20 0 HIADMN O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000469374941 883503237 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Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)N2CCCC2)o1 ZINC000469397150 883557066 /nfs/dbraw/zinc/55/70/66/883557066.db2.gz HAQVBAVGUOVGCP-VQIMIIECSA-N 0 1 403.473 4.202 20 0 HIADMN Cc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nn1-c1c(F)cccc1F ZINC000469421666 883599384 /nfs/dbraw/zinc/59/93/84/883599384.db2.gz FNSCTCDWPOTVPV-LJQANCHMSA-N 0 1 424.495 4.196 20 0 HIADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccoc1Br ZINC000469441836 883632457 /nfs/dbraw/zinc/63/24/57/883632457.db2.gz ZNGDIOBOGPEEBB-CYBMUJFWSA-N 0 1 417.225 4.065 20 0 HIADMN COc1ccc([C@@H](CNC(=O)C(C)(C)c2cnc[nH]2)c2c[nH]c3ccccc32)cc1 ZINC000469446090 883642004 /nfs/dbraw/zinc/64/20/04/883642004.db2.gz KPIMIYSRSOTSNO-LJQANCHMSA-N 0 1 402.498 4.126 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469447684 883644212 /nfs/dbraw/zinc/64/42/12/883644212.db2.gz FQWIZJAFIOMAOB-HNNXBMFYSA-N 0 1 415.484 4.205 20 0 HIADMN COc1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1OC ZINC000469458634 883668324 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COCCOC1CCC(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000476289797 891207309 /nfs/dbraw/zinc/20/73/09/891207309.db2.gz RWRARBCBEGDQAX-GSQSYGFSSA-N 0 1 405.926 4.102 20 0 HIADMN C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CCN1c1ccccc1 ZINC000476325105 891232366 /nfs/dbraw/zinc/23/23/66/891232366.db2.gz YFKCIILNQNUDLY-DUXKGJEZSA-N 0 1 401.514 4.050 20 0 HIADMN C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)CCN1c1ccccc1 ZINC000476325105 891232380 /nfs/dbraw/zinc/23/23/80/891232380.db2.gz YFKCIILNQNUDLY-DUXKGJEZSA-N 0 1 401.514 4.050 20 0 HIADMN CCN(CC)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1ccccc1 ZINC000476344309 891248728 /nfs/dbraw/zinc/24/87/28/891248728.db2.gz XFYAFCCUYZRATR-DEOSSOPVSA-N 0 1 405.542 4.397 20 0 HIADMN CCN(C(=O)NCc1ccc(CN(C)C)c(F)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000476360138 891266208 /nfs/dbraw/zinc/26/62/08/891266208.db2.gz AERNOMDIOLKIPL-QGZVFWFLSA-N 0 1 401.526 4.059 20 0 HIADMN CN(C)Cc1cc(CNC(=O)Nc2c(F)cc(F)cc2Br)ccc1F ZINC000476368668 891279093 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HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](C)Cc1cc(Br)ccc1F)C2 ZINC000476471052 891382389 /nfs/dbraw/zinc/38/23/89/891382389.db2.gz ITSHYQLDTTZDSA-CHWSQXEVSA-N 0 1 422.342 4.287 20 0 HIADMN Cc1cccc(C)c1Oc1ccccc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000476488828 891398477 /nfs/dbraw/zinc/39/84/77/891398477.db2.gz LCJQJDQNKYUWRC-MRXNPFEDSA-N 0 1 421.501 4.153 20 0 HIADMN CC1(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)[C@@H]1c1ccncc1 ZINC000476488867 891398554 /nfs/dbraw/zinc/39/85/54/891398554.db2.gz MGWHJZBPYPIDJC-GOSISDBHSA-N 0 1 411.303 4.458 20 0 HIADMN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000476516140 891429207 /nfs/dbraw/zinc/42/92/07/891429207.db2.gz RVMARWLNJBCGNY-UHFFFAOYSA-N 0 1 402.447 4.137 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCc3cc(Br)cc(F)c3C1)C2 ZINC000476573585 891494397 /nfs/dbraw/zinc/49/43/97/891494397.db2.gz NVXLWUKFZXCCIF-ZDUSSCGKSA-N 0 1 420.326 4.125 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc3nc(-c4ccccn4)oc3c1)C2 ZINC000476595171 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CCc1onc(-c2ccccc2Cl)c1C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000476699846 891657320 /nfs/dbraw/zinc/65/73/20/891657320.db2.gz PLPRBEJRQPCOLS-UHFFFAOYSA-N 0 1 421.888 4.315 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc2oc(C)c(C)c2c1)c1ccsc1 ZINC000476711334 891672783 /nfs/dbraw/zinc/67/27/83/891672783.db2.gz CONJPWLKFPEOAT-IBGZPJMESA-N 0 1 413.543 4.249 20 0 HIADMN CN(C)[C@H](CNC(=O)[C@H]1CCCc2c(O)cccc21)c1cccc(C(F)(F)F)c1 ZINC000476715654 891677493 /nfs/dbraw/zinc/67/74/93/891677493.db2.gz JWZWKRRVICQLJB-RBUKOAKNSA-N 0 1 406.448 4.250 20 0 HIADMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCC(Cc3ccc(F)c(F)c3)CC1)C2 ZINC000476729969 891696470 /nfs/dbraw/zinc/69/64/70/891696470.db2.gz NOZOHASTGUKVHV-KRWDZBQOSA-N 0 1 401.501 4.398 20 0 HIADMN CCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(=O)c2cc(Cl)ccc21 ZINC000476815555 891801535 /nfs/dbraw/zinc/80/15/35/891801535.db2.gz MVTYNTYRYCCVRG-LJQANCHMSA-N 0 1 423.944 4.069 20 0 HIADMN CCN(CC)[C@H](CNC(=O)N(CCCO)[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000476827999 891809511 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CC[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000505412802 914077752 /nfs/dbraw/zinc/07/77/52/914077752.db2.gz CUYAZTJBHOHKBO-LJQANCHMSA-N 0 1 419.367 4.205 20 0 HIADMN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000481210553 896563931 /nfs/dbraw/zinc/56/39/31/896563931.db2.gz WBVNSLHXLNEKET-QGZVFWFLSA-N 0 1 408.464 4.267 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000481216934 896569688 /nfs/dbraw/zinc/56/96/88/896569688.db2.gz BLKJTJRVBTVNLY-JPYJTQIMSA-N 0 1 408.546 4.062 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)NCC3(c4ccc(F)cc4)CCC3)n2)cc1 ZINC000481225894 896578121 /nfs/dbraw/zinc/57/81/21/896578121.db2.gz ZKXOPXPSKYORRP-UHFFFAOYSA-N 0 1 410.518 4.249 20 0 HIADMN COc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccncc3)n[nH]2)cc1 ZINC000481290474 896635152 /nfs/dbraw/zinc/63/51/52/896635152.db2.gz ULNSNSQDNFJTBI-UHFFFAOYSA-N 0 1 412.493 4.365 20 0 HIADMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000481290623 896636011 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HIADMN CN(CCc1ccc(Cl)cc1)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000486331152 901507108 /nfs/dbraw/zinc/50/71/08/901507108.db2.gz IEVAGDAIUSTNQC-UHFFFAOYSA-N 0 1 403.929 4.328 20 0 HIADMN COc1cccc([C@H](C)NC(=O)N[C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000486334253 901510566 /nfs/dbraw/zinc/51/05/66/901510566.db2.gz UTDNLGUKKNKJMV-FNVCAUGXSA-N 0 1 409.530 4.042 20 0 HIADMN Cc1cc(C)c(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1Br ZINC000486350204 901521646 /nfs/dbraw/zinc/52/16/46/901521646.db2.gz GDPTWGCRMLGYFJ-INIZCTEOSA-N 0 1 400.280 4.095 20 0 HIADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000486452200 901611981 /nfs/dbraw/zinc/61/19/81/901611981.db2.gz PBMFSCPWXGEBMQ-QGZVFWFLSA-N 0 1 422.982 4.276 20 0 HIADMN COc1cccc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1OC(F)F ZINC000486465891 901628119 /nfs/dbraw/zinc/62/81/19/901628119.db2.gz YQZKAVPRHYMIRM-OPAMFIHVSA-N 0 1 419.472 4.186 20 0 HIADMN COc1cc(OC)cc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)c1 ZINC000486497748 901649672 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HIADMN Brc1ccc2c(c1)[C@@H](NCc1ccncc1OC[C@H]1CCOC1)CC2 ZINC000490234066 903842694 /nfs/dbraw/zinc/84/26/94/903842694.db2.gz DFOYSUHWQJPVFY-LIRRHRJNSA-N 0 1 403.320 4.037 20 0 HIADMN CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490238865 903847983 /nfs/dbraw/zinc/84/79/83/903847983.db2.gz GYAOLPPYLUBMTC-UHFFFAOYSA-N 0 1 411.405 4.016 20 0 HIADMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)n[nH]1 ZINC000490271410 903866765 /nfs/dbraw/zinc/86/67/65/903866765.db2.gz LAWXMKOVDKDXSO-AAEUAGOBSA-N 0 1 422.464 4.460 20 0 HIADMN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(-c2ccc(C)cc2C)n[nH]1 ZINC000490271718 903867610 /nfs/dbraw/zinc/86/76/10/903867610.db2.gz MQWFLYYAMGVRSD-UHFFFAOYSA-N 0 1 418.497 4.190 20 0 HIADMN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490297581 903885088 /nfs/dbraw/zinc/88/50/88/903885088.db2.gz CKNLUNRJWQPPQI-MRXNPFEDSA-N 0 1 422.382 4.114 20 0 HIADMN Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000490300061 903887590 /nfs/dbraw/zinc/88/75/90/903887590.db2.gz OADYZPYPUGMTFH-HSZRJFAPSA-N 0 1 421.541 4.436 20 0 HIADMN O=C(COc1ccc(Cl)c(F)c1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000490300931 903888899 /nfs/dbraw/zinc/88/88/99/903888899.db2.gz NSCCEDZOHRPOQZ-QGZVFWFLSA-N 0 1 400.841 4.007 20 0 HIADMN O=C(COc1ccc(Cl)c(F)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000490300931 903888903 /nfs/dbraw/zinc/88/89/03/903888903.db2.gz NSCCEDZOHRPOQZ-QGZVFWFLSA-N 0 1 400.841 4.007 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NC[C@H](C)N3CCc4sccc4C3)[nH]c2c1 ZINC000490313177 903894728 /nfs/dbraw/zinc/89/47/28/903894728.db2.gz JFTGOQPPABDWRJ-OXJNMPFZSA-N 0 1 423.586 4.226 20 0 HIADMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000490315889 903896717 /nfs/dbraw/zinc/89/67/17/903896717.db2.gz NYFSFXZMYTWZTF-QMTHXVAHSA-N 0 1 402.376 4.429 20 0 HIADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@H](C)CCc3ccc4c(c3)OCO4)[nH]c2c1 ZINC000490341154 903932513 /nfs/dbraw/zinc/93/25/13/903932513.db2.gz PMMPGGQSCCQYDA-UZLBHIALSA-N 0 1 420.513 4.468 20 0 HIADMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ncccc1OCC(F)(F)F ZINC000490342624 903934322 /nfs/dbraw/zinc/93/43/22/903934322.db2.gz ISRGKCMAGVDKTC-UHFFFAOYSA-N 0 1 404.270 4.170 20 0 HIADMN Brc1ccc2c(c1)CC[C@H]2NCc1ccncc1OC[C@@H]1CCOC1 ZINC000490365071 903957819 /nfs/dbraw/zinc/95/78/19/903957819.db2.gz JMEMRJIZJILYPO-AUUYWEPGSA-N 0 1 403.320 4.037 20 0 HIADMN Brc1ccc2c(c1)CC[C@@H]2NCc1ccncc1OC[C@@H]1CCOC1 ZINC000490365075 903958046 /nfs/dbraw/zinc/95/80/46/903958046.db2.gz JMEMRJIZJILYPO-KUHUBIRLSA-N 0 1 403.320 4.037 20 0 HIADMN CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Br)c2cccnc12 ZINC000490370053 903962943 /nfs/dbraw/zinc/96/29/43/903962943.db2.gz NQDBCXOTLOHUOF-XMMPIXPASA-N 0 1 403.345 4.367 20 0 HIADMN Cc1n[nH]c(CCNC(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)n1 ZINC000490431552 904005612 /nfs/dbraw/zinc/00/56/12/904005612.db2.gz JLBVXATUVKNSCW-UHFFFAOYSA-N 0 1 423.370 4.428 20 0 HIADMN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000490523876 904072116 /nfs/dbraw/zinc/07/21/16/904072116.db2.gz JWEJRRVSSBUNDF-HSZRJFAPSA-N 0 1 406.555 4.298 20 0 HIADMN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000490523877 904072769 /nfs/dbraw/zinc/07/27/69/904072769.db2.gz JWEJRRVSSBUNDF-QHCPKHFHSA-N 0 1 406.555 4.298 20 0 HIADMN CCN(C(=O)c1cc(NC(=O)N2C[C@H](C)N(CC)C[C@@H]2C)ccc1Cl)C(C)C ZINC000490530371 904078737 /nfs/dbraw/zinc/07/87/37/904078737.db2.gz CIVRCGGOUWTXGF-HOTGVXAUSA-N 0 1 408.974 4.157 20 0 HIADMN CC[C@@H](C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000490540967 904087816 /nfs/dbraw/zinc/08/78/16/904087816.db2.gz HMRNIARJADTROS-IIBYNOLFSA-N 0 1 420.513 4.351 20 0 HIADMN COc1ccccc1-c1ncc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cn1 ZINC000490558543 904098698 /nfs/dbraw/zinc/09/86/98/904098698.db2.gz TUZWHPHBUZQSDG-HSZRJFAPSA-N 0 1 405.498 4.410 20 0 HIADMN COc1ccccc1-c1ncc(CNCc2ccc(Br)c(F)c2)cn1 ZINC000490805640 904252798 /nfs/dbraw/zinc/25/27/98/904252798.db2.gz VSKKFEVLLDPZAS-UHFFFAOYSA-N 0 1 402.267 4.344 20 0 HIADMN CC1(C)C(=O)Nc2cc(C(=O)Nc3cc(Cl)cc(Br)c3O)ccc21 ZINC000490849433 904285628 /nfs/dbraw/zinc/28/56/28/904285628.db2.gz YGRDEMGZNGLKNT-UHFFFAOYSA-N 0 1 409.667 4.290 20 0 HIADMN Cn1cc(Br)c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)n1 ZINC000490856873 904289042 /nfs/dbraw/zinc/28/90/42/904289042.db2.gz ICWUXWFUQRJCFO-UHFFFAOYSA-N 0 1 414.238 4.117 20 0 HIADMN Cc1ccc([C@H](NCc2cccc(CO)c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000491031280 904383632 /nfs/dbraw/zinc/38/36/32/904383632.db2.gz MXUNRGPDTQQZNP-XMMPIXPASA-N 0 1 409.551 4.078 20 0 HIADMN COc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)cc1 ZINC000491107317 904432013 /nfs/dbraw/zinc/43/20/13/904432013.db2.gz FCYISQUJQJESCX-XMMPIXPASA-N 0 1 407.558 4.372 20 0 HIADMN COc1ccc(CN2CCCN(C(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)cc1 ZINC000491107317 904432024 /nfs/dbraw/zinc/43/20/24/904432024.db2.gz FCYISQUJQJESCX-XMMPIXPASA-N 0 1 407.558 4.372 20 0 HIADMN Cn1c2ccccc2nc1CN1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000506128708 914815055 /nfs/dbraw/zinc/81/50/55/914815055.db2.gz JYSBCIMWIAELGO-CQSZACIVSA-N 0 1 414.435 4.014 20 0 HIADMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccncc2C(F)(F)F)cc1 ZINC000506119960 914810429 /nfs/dbraw/zinc/81/04/29/914810429.db2.gz RBXWSKCTTXUZPL-UHFFFAOYSA-N 0 1 420.435 4.167 20 0 HIADMN CCOc1ccc2nc(-c3ccc(NC(=O)N[C@H](C)c4nnc[nH]4)cc3)sc2c1 ZINC000491260930 904508615 /nfs/dbraw/zinc/50/86/15/904508615.db2.gz RJCFGOUJWGOSCK-GFCCVEGCSA-N 0 1 408.487 4.363 20 0 HIADMN Clc1ccccc1[C@@H](NCCCOC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000491282669 904517127 /nfs/dbraw/zinc/51/71/27/904517127.db2.gz GOVRTGLENHHWCV-MBSDFSHPSA-N 0 1 417.933 4.376 20 0 HIADMN Clc1ccccc1[C@H](NCCCOC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000491282652 904517361 /nfs/dbraw/zinc/51/73/61/904517361.db2.gz GOVRTGLENHHWCV-FDDCHVKYSA-N 0 1 417.933 4.376 20 0 HIADMN COCc1ccccc1CN[C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000491330750 904540692 /nfs/dbraw/zinc/54/06/92/904540692.db2.gz VLOFAFRDRJLWPB-XMMPIXPASA-N 0 1 409.551 4.424 20 0 HIADMN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)N1CCN(CC2CC2)CC1 ZINC000491347208 904551310 /nfs/dbraw/zinc/55/13/10/904551310.db2.gz TVVXNOBWACZGSP-UHFFFAOYSA-N 0 1 401.457 4.103 20 0 HIADMN CN(Cc1cn(C)nc1-c1ccccc1Cl)Cc1ccccc1N1CCOCC1 ZINC000506141424 914821557 /nfs/dbraw/zinc/82/15/57/914821557.db2.gz WHIUFLBHBGLNKP-UHFFFAOYSA-N 0 1 410.949 4.209 20 0 HIADMN COc1ccc(CN(CC(=O)Nc2cc(Cl)ccc2C)[C@H](CO)C(C)C)cc1 ZINC000491354787 904553052 /nfs/dbraw/zinc/55/30/52/904553052.db2.gz DDQAGYYNFCFLQK-OAQYLSRUSA-N 0 1 404.938 4.115 20 0 HIADMN CS(=O)(=O)c1cccc([C@H](NCCOc2ccccc2)c2ccc(F)c(F)c2)c1 ZINC000491365966 904560402 /nfs/dbraw/zinc/56/04/02/904560402.db2.gz GYAYYEZJAIFAKI-QFIPXVFZSA-N 0 1 417.477 4.126 20 0 HIADMN Cc1ccc([C@H](NCCOc2ccccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491367859 904562307 /nfs/dbraw/zinc/56/23/07/904562307.db2.gz OGWADXLZQNRSGM-QHCPKHFHSA-N 0 1 413.514 4.296 20 0 HIADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)CC3 ZINC000491446646 904601915 /nfs/dbraw/zinc/60/19/15/904601915.db2.gz ZEFCETOMEGCRPQ-HXUWFJFHSA-N 0 1 419.594 4.312 20 0 HIADMN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000491550829 904645398 /nfs/dbraw/zinc/64/53/98/904645398.db2.gz ZFFGBZISLMWAPK-UHFFFAOYSA-N 0 1 420.494 4.013 20 0 HIADMN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000506164952 914830785 /nfs/dbraw/zinc/83/07/85/914830785.db2.gz QQYKBSHULKJFIL-YYTDSSBASA-N 0 1 411.546 4.067 20 0 HIADMN CC1(C)Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3Br)cc2O1 ZINC000491586561 904662458 /nfs/dbraw/zinc/66/24/58/904662458.db2.gz OPKOMQDZLNPLML-UHFFFAOYSA-N 0 1 418.696 4.411 20 0 HIADMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1F ZINC000506180962 914836264 /nfs/dbraw/zinc/83/62/64/914836264.db2.gz XOSYNVCIZDUPDB-CXAGYDPISA-N 0 1 424.314 4.379 20 0 HIADMN CCOCc1cccc(NS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491831646 904705659 /nfs/dbraw/zinc/70/56/59/904705659.db2.gz JVSHCTPMOKXHGZ-UHFFFAOYSA-N 0 1 404.713 4.440 20 0 HIADMN COc1c(F)cc(NS(=O)(=O)c2cccc(Cl)c2Br)cc1F ZINC000491831892 904705690 /nfs/dbraw/zinc/70/56/90/904705690.db2.gz MCINZOWJGLGUSB-UHFFFAOYSA-N 0 1 412.639 4.190 20 0 HIADMN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cc(F)cc2[nH]cnc21 ZINC000491837558 904708963 /nfs/dbraw/zinc/70/89/63/904708963.db2.gz MJTUWPNVNVUIHG-UHFFFAOYSA-N 0 1 401.463 4.061 20 0 HIADMN COc1cc(Br)c(CN[C@@H](C)[C@@H]2OCCc3sccc32)cc1OC ZINC000492021211 904762423 /nfs/dbraw/zinc/76/24/23/904762423.db2.gz FMOKJSPRASUFFG-VOJFVSQTSA-N 0 1 412.349 4.320 20 0 HIADMN COc1cc(CN[C@@H](CO)c2ccc(Br)c(F)c2)ccc1SC ZINC000492021124 904762505 /nfs/dbraw/zinc/76/25/05/904762505.db2.gz DYCKIVKFTSTMFU-HNNXBMFYSA-N 0 1 400.313 4.142 20 0 HIADMN COC[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(Cl)cc1 ZINC000492049722 904777098 /nfs/dbraw/zinc/77/70/98/904777098.db2.gz SATMOJABAKWNNC-MOPGFXCFSA-N 0 1 405.926 4.147 20 0 HIADMN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c1 ZINC000492068571 904785147 /nfs/dbraw/zinc/78/51/47/904785147.db2.gz OIBHQCMJACYFIN-UHFFFAOYSA-N 0 1 420.922 4.028 20 0 HIADMN Cn1cc(-c2ncc(CN[C@H]3c4cccc(Br)c4CC3(C)C)cn2)cn1 ZINC000492080458 904792871 /nfs/dbraw/zinc/79/28/71/904792871.db2.gz KAOYUTHSJDAMJT-SFHVURJKSA-N 0 1 412.335 4.053 20 0 HIADMN CCCOc1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)cc1OC ZINC000492148663 904806117 /nfs/dbraw/zinc/80/61/17/904806117.db2.gz BRACHROSCBFEFR-QGZVFWFLSA-N 0 1 412.299 4.209 20 0 HIADMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000492232700 904819850 /nfs/dbraw/zinc/81/98/50/904819850.db2.gz DPNJAUDBACWSNC-KRWDZBQOSA-N 0 1 407.392 4.226 20 0 HIADMN OC[C@H](NCc1cccc(-c2ccccn2)c1)c1ccc(Br)c(F)c1 ZINC000492272798 904827788 /nfs/dbraw/zinc/82/77/88/904827788.db2.gz JLYSDBXWKFPSMB-FQEVSTJZSA-N 0 1 401.279 4.473 20 0 HIADMN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccc(F)c(C)c2)cc1 ZINC000492353320 904837831 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O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1Br ZINC000498233285 907764781 /nfs/dbraw/zinc/76/47/81/907764781.db2.gz MSGGRGNTSNBPME-UHFFFAOYSA-N 0 1 422.080 4.249 20 0 HIADMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000498233216 907764809 /nfs/dbraw/zinc/76/48/09/907764809.db2.gz LJVJVGHOGTVEJL-KBPBESRZSA-N 0 1 419.229 4.255 20 0 HIADMN COc1cccc(Oc2ccc(CNC(=O)NCc3nc4cccc(C)c4[nH]3)cn2)c1 ZINC000498243996 907779705 /nfs/dbraw/zinc/77/97/05/907779705.db2.gz QOMGBURJKROQNK-UHFFFAOYSA-N 0 1 417.469 4.067 20 0 HIADMN C[C@@H]1CN(Cc2ccc(CNC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000498274297 907810328 /nfs/dbraw/zinc/81/03/28/907810328.db2.gz APKWWVIIUONKOH-IYBDPMFKSA-N 0 1 421.368 4.462 20 0 HIADMN C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000498283653 907817970 /nfs/dbraw/zinc/81/79/70/907817970.db2.gz VIFZWJIFWJYGKV-KURKYZTESA-N 0 1 416.949 4.033 20 0 HIADMN C[C@H]1CN(Cc2ccc(CNC(=O)CCOc3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000498286166 907818757 /nfs/dbraw/zinc/81/87/57/907818757.db2.gz FKOGEQGQBGYHDA-ROUUACIJSA-N 0 1 416.949 4.035 20 0 HIADMN COc1ccc(CCCCC(=O)NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000498285800 907819002 /nfs/dbraw/zinc/81/90/02/907819002.db2.gz CCEDLDNGWXKCOE-SFTDATJTSA-N 0 1 424.585 4.334 20 0 HIADMN COc1cccc([C@@H]2[C@H](NC(=O)c3nsc4ccc(C)cc43)CCN2C2CC2)c1 ZINC000498289932 907821278 /nfs/dbraw/zinc/82/12/78/907821278.db2.gz DOIVRKMVODEMDR-DENIHFKCSA-N 0 1 407.539 4.321 20 0 HIADMN CCc1nc(C(C)C)ccc1C(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498292765 907822949 /nfs/dbraw/zinc/82/29/49/907822949.db2.gz YLGYXYRUCVNUKF-DNQXCXABSA-N 0 1 407.558 4.484 20 0 HIADMN COc1ccc(C)cc1C(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000498299732 907827677 /nfs/dbraw/zinc/82/76/77/907827677.db2.gz AOQUARYBAKBNLT-UHFFFAOYSA-N 0 1 403.891 4.426 20 0 HIADMN COc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1NC(=O)C1CCCCC1 ZINC000498323437 907839585 /nfs/dbraw/zinc/83/95/85/907839585.db2.gz CWNBGUCPENVFEN-UHFFFAOYSA-N 0 1 406.486 4.272 20 0 HIADMN CCN(CC)[C@@H](C(=O)N1C[C@H](CO)c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000498325934 907841647 /nfs/dbraw/zinc/84/16/47/907841647.db2.gz SKGZZWNQJAJMBT-OXQOHEQNSA-N 0 1 406.448 4.211 20 0 HIADMN CC[C@H](NCc1cccc(NC(=O)c2ccc(Cl)cc2)c1)[C@H](O)C(F)(F)F ZINC000498349505 907851826 /nfs/dbraw/zinc/85/18/26/907851826.db2.gz DCPJUZFVTZJWBB-IRXDYDNUSA-N 0 1 400.828 4.384 20 0 HIADMN CC(C)[C@H](CNC(=O)c1cc2sc3ccccc3c2s1)N1CCN(C)CC1 ZINC000498457118 907922175 /nfs/dbraw/zinc/92/21/75/907922175.db2.gz KVLDMDSVVOYFNA-INIZCTEOSA-N 0 1 401.601 4.118 20 0 HIADMN COc1cc(CN[C@](C)(CO)c2ccc(Br)cc2)ccc1OC(F)F ZINC000512863111 921364481 /nfs/dbraw/zinc/36/44/81/921364481.db2.gz ZMUPBEXPGDOECI-GOSISDBHSA-N 0 1 416.262 4.056 20 0 HIADMN CC[C@H](C)Sc1ccc(NC(=O)C(=O)NCc2nc3cccc(C)c3[nH]2)c(C)c1 ZINC000498472732 907942029 /nfs/dbraw/zinc/94/20/29/907942029.db2.gz LNMOTELLCNRCGA-HNNXBMFYSA-N 0 1 410.543 4.325 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)N(Cc3ccccc3)C3CC3)CCN2C2CC2)c1 ZINC000498542969 908008076 /nfs/dbraw/zinc/00/80/76/908008076.db2.gz JQPRJEADYOIQNE-BJKOFHAPSA-N 0 1 405.542 4.347 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)N(Cc3ccccc3)C3CC3)CCN2C2CC2)c1 ZINC000498542976 908008954 /nfs/dbraw/zinc/00/89/54/908008954.db2.gz JQPRJEADYOIQNE-ZEQRLZLVSA-N 0 1 405.542 4.347 20 0 HIADMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc(OC(F)F)c3)CCN2C2CC2)c1 ZINC000498560402 908021041 /nfs/dbraw/zinc/02/10/41/908021041.db2.gz NWOILFHXYSCCLK-PMACEKPBSA-N 0 1 417.456 4.396 20 0 HIADMN COc1cccc([C@@H]2[C@@H](NC(=O)N(C)[C@H](C)c3cccc(O)c3)CCN2C2CC2)c1 ZINC000498562233 908023840 /nfs/dbraw/zinc/02/38/40/908023840.db2.gz UQMLZRTUPNGWQG-UZFJHSOTSA-N 0 1 409.530 4.081 20 0 HIADMN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)NCc3nc4cccc(C)c4[nH]3)c12 ZINC000498614853 908062138 /nfs/dbraw/zinc/06/21/38/908062138.db2.gz LGDJHCJDPIWEIU-UHFFFAOYSA-N 0 1 416.510 4.120 20 0 HIADMN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccccc1-c1nnc[nH]1 ZINC000512880791 921376825 /nfs/dbraw/zinc/37/68/25/921376825.db2.gz CVJQLIZMBIOZJN-UHFFFAOYSA-N 0 1 424.464 4.039 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3ccc(OC(C)(C)C)nc3)[nH]c2c1 ZINC000498694307 908121552 /nfs/dbraw/zinc/12/15/52/908121552.db2.gz LPZOMDOCZPMMTM-LJQANCHMSA-N 0 1 407.518 4.490 20 0 HIADMN C[C@@H]1CCN(C)CCN1C(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000498703862 908128391 /nfs/dbraw/zinc/12/83/91/908128391.db2.gz CQNYYXCHFBYXHA-OAHLLOKOSA-N 0 1 412.584 4.003 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Cc1cccc(OC(C)C)c1)N1CCCCC1 ZINC000498728642 908156094 /nfs/dbraw/zinc/15/60/94/908156094.db2.gz FWNWWRARBCSRFD-HSZRJFAPSA-N 0 1 410.558 4.368 20 0 HIADMN CN(C)C(=O)c1cccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000498732137 908160122 /nfs/dbraw/zinc/16/01/22/908160122.db2.gz CUGGMJSIDNPGLW-UHFFFAOYSA-N 0 1 413.565 4.296 20 0 HIADMN CC(C)(C)[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000498793602 908205131 /nfs/dbraw/zinc/20/51/31/908205131.db2.gz FJODFBYZQLNLGF-DNVCBOLYSA-N 0 1 407.557 4.006 20 0 HIADMN CCN(CC)[C@@H](CNC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccco1 ZINC000498831415 908239135 /nfs/dbraw/zinc/23/91/35/908239135.db2.gz HDXMCXYGXUCUHW-HNNXBMFYSA-N 0 1 415.515 4.308 20 0 HIADMN CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccco1 ZINC000498850145 908255053 /nfs/dbraw/zinc/25/50/53/908255053.db2.gz IUTKIDFRDRQYJC-OKZBNKHCSA-N 0 1 405.336 4.345 20 0 HIADMN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498877810 908276538 /nfs/dbraw/zinc/27/65/38/908276538.db2.gz AOJPAARXMMTIQR-QGZVFWFLSA-N 0 1 418.472 4.072 20 0 HIADMN O=C(c1ccc(OCc2ccccc2)cc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498883854 908284571 /nfs/dbraw/zinc/28/45/71/908284571.db2.gz LQYIPNAGPIGMNM-FQEVSTJZSA-N 0 1 402.498 4.281 20 0 HIADMN CC(C)COc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000498884318 908285595 /nfs/dbraw/zinc/28/55/95/908285595.db2.gz ONGGACUBDDXJRN-GOSISDBHSA-N 0 1 410.562 4.401 20 0 HIADMN CC(C)c1cc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nn1-c1ccccc1 ZINC000498884228 908285789 /nfs/dbraw/zinc/28/57/89/908285789.db2.gz NKTSKHYCDXROCU-QGZVFWFLSA-N 0 1 404.518 4.011 20 0 HIADMN O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498885239 908287684 /nfs/dbraw/zinc/28/76/84/908287684.db2.gz TYUATMIYHDTVMJ-INIZCTEOSA-N 0 1 408.477 4.420 20 0 HIADMN Cc1ccc(-c2nc(CC(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cs2)cc1 ZINC000498887835 908288979 /nfs/dbraw/zinc/28/89/79/908288979.db2.gz BDMLZONMVZERRD-KRWDZBQOSA-N 0 1 407.543 4.063 20 0 HIADMN Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c2c1 ZINC000498886875 908289234 /nfs/dbraw/zinc/28/92/34/908289234.db2.gz MHXNODRTPUNLJJ-KRWDZBQOSA-N 0 1 401.514 4.436 20 0 HIADMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)c1ccc(Br)cc1 ZINC000498888309 908291795 /nfs/dbraw/zinc/29/17/95/908291795.db2.gz BZSHOZJJVUJPMG-CQSZACIVSA-N 0 1 417.351 4.128 20 0 HIADMN CC(C)c1c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cnn1-c1ccc(F)cc1 ZINC000498890527 908295289 /nfs/dbraw/zinc/29/52/89/908295289.db2.gz JBQYGEGGNXTSHX-INIZCTEOSA-N 0 1 422.508 4.150 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498904429 908312043 /nfs/dbraw/zinc/31/20/43/908312043.db2.gz RPRNNKXOWHZASL-QGZVFWFLSA-N 0 1 407.543 4.058 20 0 HIADMN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498904428 908313000 /nfs/dbraw/zinc/31/30/00/908313000.db2.gz RPRNNKXOWHZASL-KRWDZBQOSA-N 0 1 407.543 4.058 20 0 HIADMN CCCn1c(C)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c2cc(OC)ccc21 ZINC000498903613 908313826 /nfs/dbraw/zinc/31/38/26/908313826.db2.gz MVEPXTNDGZYCKW-KRWDZBQOSA-N 0 1 421.545 4.384 20 0 HIADMN O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498905474 908314771 /nfs/dbraw/zinc/31/47/71/908314771.db2.gz YQJQIWACTIAZKJ-MRXNPFEDSA-N 0 1 421.570 4.433 20 0 HIADMN COc1ccc(C(=O)CCCC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)cc1 ZINC000498916588 908326854 /nfs/dbraw/zinc/32/68/54/908326854.db2.gz FDCGATPSFKKGTI-MBSDFSHPSA-N 0 1 414.571 4.309 20 0 HIADMN C[C@@H](NC(=O)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1)c1ccc(Cl)c(Cl)c1 ZINC000498918843 908327494 /nfs/dbraw/zinc/32/74/94/908327494.db2.gz PFWKSLUNAFSGGM-DOMZBBRYSA-N 0 1 422.360 4.046 20 0 HIADMN CC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC12CCCCC2 ZINC000498920091 908330168 /nfs/dbraw/zinc/33/01/68/908330168.db2.gz VYJIPWXIPQGIOZ-UHFFFAOYSA-N 0 1 405.542 4.306 20 0 HIADMN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498923646 908331315 /nfs/dbraw/zinc/33/13/15/908331315.db2.gz QPTRSZUZTUSTTR-WBMJQRKESA-N 0 1 409.317 4.083 20 0 HIADMN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000498923646 908331337 /nfs/dbraw/zinc/33/13/37/908331337.db2.gz QPTRSZUZTUSTTR-WBMJQRKESA-N 0 1 409.317 4.083 20 0 HIADMN O=C(CN1CCCc2ccccc2C1)NCc1cccc(COCc2ccco2)c1 ZINC000498927004 908336801 /nfs/dbraw/zinc/33/68/01/908336801.db2.gz SVBLGKXGPHWMMY-UHFFFAOYSA-N 0 1 404.510 4.061 20 0 HIADMN CNC(=O)c1cccc(CCN[C@@H](c2ccco2)c2ccc(Br)cc2)c1 ZINC000498931789 908340117 /nfs/dbraw/zinc/34/01/17/908340117.db2.gz STFOEZLKMQGTRO-HXUWFJFHSA-N 0 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CCC[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1)c1nnc2ccccn21 ZINC000506313636 914903814 /nfs/dbraw/zinc/90/38/14/914903814.db2.gz ASYMILUREUVEFV-MJGOQNOKSA-N 0 1 417.517 4.302 20 0 HIADMN COc1ccc([C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)C2)cc1F ZINC000506315938 914909364 /nfs/dbraw/zinc/90/93/64/914909364.db2.gz FWILUXHLTFWUGO-SFHLNBCPSA-N 0 1 414.496 4.248 20 0 HIADMN COc1ccc([C@H]2C[C@H](NC(=O)c3cc(Br)cc4nc[nH]c43)C2)cc1F ZINC000506326204 914930170 /nfs/dbraw/zinc/93/01/70/914930170.db2.gz YVORPGTWUHSLDJ-AULYBMBSSA-N 0 1 418.266 4.149 20 0 HIADMN COc1ccc(C(=O)Nc2cccc(CN(C)Cc3ccc(O)c(OC)c3)c2)cc1 ZINC000506325023 914930454 /nfs/dbraw/zinc/93/04/54/914930454.db2.gz JILDMGGGCWEEQE-UHFFFAOYSA-N 0 1 406.482 4.294 20 0 HIADMN Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)N2CCCC2)o1 ZINC000506362146 914987108 /nfs/dbraw/zinc/98/71/08/914987108.db2.gz GUYZLOJLZXAWHY-NRFANRHFSA-N 0 1 422.529 4.325 20 0 HIADMN CCOc1c(Br)cc(CN(C)Cc2ccc(O)c(OC)c2)cc1OC ZINC000506368754 914992191 /nfs/dbraw/zinc/99/21/91/914992191.db2.gz JYVLAXDTIXUNND-UHFFFAOYSA-N 0 1 410.308 4.203 20 0 HIADMN O=C(CCCn1ccc2cc(Cl)ccc21)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506370580 914994820 /nfs/dbraw/zinc/99/48/20/914994820.db2.gz JBCNIBYXSYJZKL-LJQANCHMSA-N 0 1 407.905 4.293 20 0 HIADMN O=C(CSc1cc(Cl)ccc1Cl)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506376590 915001430 /nfs/dbraw/zinc/00/14/30/915001430.db2.gz FTHSQUCJRZCQQH-OAHLLOKOSA-N 0 1 407.326 4.304 20 0 HIADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000506376386 915002055 /nfs/dbraw/zinc/00/20/55/915002055.db2.gz CORDFUFPBFHXEH-KRWDZBQOSA-N 0 1 402.479 4.139 20 0 HIADMN O=C(CSc1cccc(C(F)(F)F)c1)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000506384226 915005427 /nfs/dbraw/zinc/00/54/27/915005427.db2.gz WTCSGNXAKQAOMV-MRXNPFEDSA-N 0 1 406.433 4.016 20 0 HIADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000506398819 915013561 /nfs/dbraw/zinc/01/35/61/915013561.db2.gz SBINVTKWFSLCJL-SIKLNZKXSA-N 0 1 413.521 4.244 20 0 HIADMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000506398819 915013577 /nfs/dbraw/zinc/01/35/77/915013577.db2.gz SBINVTKWFSLCJL-SIKLNZKXSA-N 0 1 413.521 4.244 20 0 HIADMN COc1ccc(OCc2nc(CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)cc1 ZINC000506407482 915020132 /nfs/dbraw/zinc/02/01/32/915020132.db2.gz ZLWNAVCJXRQPQO-OAQYLSRUSA-N 0 1 423.582 4.437 20 0 HIADMN Cc1ccc(CN[C@@H](Cc2ccccn2)c2cccnc2)c(OC[C@@H]2CCCO2)c1 ZINC000513370147 921743301 /nfs/dbraw/zinc/74/33/01/921743301.db2.gz DQLODAQQXAMXRN-ZEQRLZLVSA-N 0 1 403.526 4.416 20 0 HIADMN C[C@H](C(=O)N(C)c1ccccc1)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000506475345 915078328 /nfs/dbraw/zinc/07/83/28/915078328.db2.gz VOQMIDIDBCSLHI-OAHLLOKOSA-N 0 1 417.912 4.181 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cn1 ZINC000506613145 915267311 /nfs/dbraw/zinc/26/73/11/915267311.db2.gz QHYHWOXJRJDOPF-UHFFFAOYSA-N 0 1 409.389 4.397 20 0 HIADMN COc1ccc(OCc2ccccn2)c(CN2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000513387973 921760065 /nfs/dbraw/zinc/76/00/65/921760065.db2.gz BDSFWNOAPNPHRH-QFIPXVFZSA-N 0 1 414.509 4.466 20 0 HIADMN Cc1nn(C)c2ncc(CN3CCN(C4c5ccccc5-c5ccccc54)CC3)cc12 ZINC000506629752 915296805 /nfs/dbraw/zinc/29/68/05/915296805.db2.gz FGEQATQKLXXABB-UHFFFAOYSA-N 0 1 409.537 4.164 20 0 HIADMN COc1cc(CCC2CCN(Cc3ccc([S@@](C)=O)cc3)CC2)cc(OC)c1 ZINC000506630453 915297368 /nfs/dbraw/zinc/29/73/68/915297368.db2.gz LRWXBPSYLGKFAQ-MUUNZHRXSA-N 0 1 401.572 4.286 20 0 HIADMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cn1 ZINC000506648630 915319555 /nfs/dbraw/zinc/31/95/55/915319555.db2.gz MXRILXFHBOFGQG-JOCHJYFZSA-N 0 1 421.522 4.168 20 0 HIADMN Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCN4CC=C(C)CC4)cc3)o2)c1 ZINC000506654502 915327645 /nfs/dbraw/zinc/32/76/45/915327645.db2.gz PCCOMPDCNZVOFG-UHFFFAOYSA-N 0 1 402.498 4.094 20 0 HIADMN O=S(=O)(Nc1ccc2nc(C3CC3)sc2c1)c1cncc(Br)c1 ZINC000506669726 915346114 /nfs/dbraw/zinc/34/61/14/915346114.db2.gz QRAKVSQEHHXROE-UHFFFAOYSA-N 0 1 410.318 4.132 20 0 HIADMN Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1Br ZINC000506675256 915350383 /nfs/dbraw/zinc/35/03/83/915350383.db2.gz OLXJKVFXQHXGGT-QGZVFWFLSA-N 0 1 403.368 4.455 20 0 HIADMN CCOc1cc(CN(C)[C@H](C)c2ccc(F)c(F)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000506676967 915353142 /nfs/dbraw/zinc/35/31/42/915353142.db2.gz SBZHTEJTBRJYCU-HZPDHXFCSA-N 0 1 420.500 4.412 20 0 HIADMN CCOc1cc(CN(C)[C@H](C)c2ccc(F)c(F)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000506676965 915353499 /nfs/dbraw/zinc/35/34/99/915353499.db2.gz SBZHTEJTBRJYCU-CVEARBPZSA-N 0 1 420.500 4.412 20 0 HIADMN CC(C)Oc1cc(CNC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccn1 ZINC000506678461 915354477 /nfs/dbraw/zinc/35/44/77/915354477.db2.gz PXJBXIDIJIGDBC-SFHVURJKSA-N 0 1 413.909 4.445 20 0 HIADMN Cc1noc(C2(C)CCN(Cc3c(C)nn(Cc4ccc(Cl)cc4)c3C)CC2)n1 ZINC000513397981 921766701 /nfs/dbraw/zinc/76/67/01/921766701.db2.gz YBBAZVNVOIZSRE-UHFFFAOYSA-N 0 1 413.953 4.447 20 0 HIADMN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c1 ZINC000506706596 915383417 /nfs/dbraw/zinc/38/34/17/915383417.db2.gz LEGIMTAVJLNQMI-UHFFFAOYSA-N 0 1 413.923 4.331 20 0 HIADMN COc1ccc(OC)c([C@@H]2CCCN2Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000506709500 915387985 /nfs/dbraw/zinc/38/79/85/915387985.db2.gz ZEMRCXBLHHUZGW-FQEVSTJZSA-N 0 1 421.497 4.202 20 0 HIADMN COCCN(Cc1sccc1Br)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000506754187 915446521 /nfs/dbraw/zinc/44/65/21/915446521.db2.gz XZXINGXQVYKBSI-UHFFFAOYSA-N 0 1 420.332 4.190 20 0 HIADMN CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(=O)NC)cc1 ZINC000506789185 915518049 /nfs/dbraw/zinc/51/80/49/915518049.db2.gz UICNCDDQSLYDEO-OAHLLOKOSA-N 0 1 421.463 4.304 20 0 HIADMN CC(C)n1nc(-c2ccccc2)cc1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000506854230 915637350 /nfs/dbraw/zinc/63/73/50/915637350.db2.gz BCBVZPCLCBNSHZ-UHFFFAOYSA-N 0 1 418.545 4.312 20 0 HIADMN CN(C)[C@H](CNC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccsc1 ZINC000506890795 915684163 /nfs/dbraw/zinc/68/41/63/915684163.db2.gz LYBWEEMCJSFJFT-MRXNPFEDSA-N 0 1 410.312 4.164 20 0 HIADMN C[C@H](c1ccccc1F)N(C)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000506908194 915707746 /nfs/dbraw/zinc/70/77/46/915707746.db2.gz GXRCMUALKKHKLH-QGZVFWFLSA-N 0 1 401.551 4.006 20 0 HIADMN Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000506912232 915711293 /nfs/dbraw/zinc/71/12/93/915711293.db2.gz ZWDSCRNAONCNQE-UHFFFAOYSA-N 0 1 417.553 4.178 20 0 HIADMN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000506913241 915711493 /nfs/dbraw/zinc/71/14/93/915711493.db2.gz XFLUVMXOOKMAMD-KRWDZBQOSA-N 0 1 419.491 4.286 20 0 HIADMN CC[C@@H](C)N[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccccc2)c1)c1ccco1 ZINC000506922527 915722344 /nfs/dbraw/zinc/72/23/44/915722344.db2.gz PCBXXLUXGXIJJU-UTKZUKDTSA-N 0 1 421.497 4.256 20 0 HIADMN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506924658 915726940 /nfs/dbraw/zinc/72/69/40/915726940.db2.gz YMLZGODLIPJBLH-LLVKDONJSA-N 0 1 420.229 4.025 20 0 HIADMN CCOC(=O)c1c2c(sc1NC(=O)N1CCC(c3cnc[nH]3)CC1)SCCC2 ZINC000506930950 915732718 /nfs/dbraw/zinc/73/27/18/915732718.db2.gz MURGEWBFPHVWNV-UHFFFAOYSA-N 0 1 420.560 4.098 20 0 HIADMN CC(C)OCCCNC(=O)C1CCN(Cc2cnc(-c3cccs3)s2)CC1 ZINC000506943775 915749121 /nfs/dbraw/zinc/74/91/21/915749121.db2.gz QVVXPAXMHCCVQK-UHFFFAOYSA-N 0 1 407.605 4.015 20 0 HIADMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1cccc(-c2cccs2)c1)c1ccco1 ZINC000506957674 915764410 /nfs/dbraw/zinc/76/44/10/915764410.db2.gz XFLSKHYWVUSURO-CRAIPNDOSA-N 0 1 411.527 4.192 20 0 HIADMN CC[C@H](C)N[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccco1 ZINC000506972658 915778265 /nfs/dbraw/zinc/77/82/65/915778265.db2.gz SEYQOVGEJKXWIA-KSFYIVLOSA-N 0 1 417.509 4.035 20 0 HIADMN O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000506982333 915791718 /nfs/dbraw/zinc/79/17/18/915791718.db2.gz GDBRFOBEWVZENB-UHFFFAOYSA-N 0 1 422.794 4.275 20 0 HIADMN CCN(C(=O)Nc1cccc2c1OCCC2=O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000506987588 915799955 /nfs/dbraw/zinc/79/99/55/915799955.db2.gz PFGQLVCIZJQJQD-HKUYNNGSSA-N 0 1 407.514 4.341 20 0 HIADMN CCCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)cc1 ZINC000507019284 915825160 /nfs/dbraw/zinc/82/51/60/915825160.db2.gz BFXCOVINSXJDJR-UHFFFAOYSA-N 0 1 417.405 4.082 20 0 HIADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccncc2C(F)(F)F)c1 ZINC000507029804 915831026 /nfs/dbraw/zinc/83/10/26/915831026.db2.gz LFQIWQTWUFQZJQ-UHFFFAOYSA-N 0 1 420.435 4.167 20 0 HIADMN CC(C)(CCCc1ccccc1)CNC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000507062555 915847749 /nfs/dbraw/zinc/84/77/49/915847749.db2.gz WCZKDNZNXQLRJR-UHFFFAOYSA-N 0 1 415.622 4.179 20 0 HIADMN COc1cc(CN(Cc2ccccc2F)C(C)C)ccc1OCC(=O)N1CCCC1 ZINC000507154665 915894807 /nfs/dbraw/zinc/89/48/07/915894807.db2.gz KCPJPRUGQBURCO-UHFFFAOYSA-N 0 1 414.521 4.246 20 0 HIADMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000507162262 915899514 /nfs/dbraw/zinc/89/95/14/915899514.db2.gz CINIVLFHAHLEJS-QGZVFWFLSA-N 0 1 420.513 4.192 20 0 HIADMN O=C(Nc1ccn(-c2ccncc2)n1)C(=O)N(CC1CCCCC1)CC1CCCCC1 ZINC000507163285 915901443 /nfs/dbraw/zinc/90/14/43/915901443.db2.gz VJLBYRWHJWUHTB-UHFFFAOYSA-N 0 1 423.561 4.195 20 0 HIADMN Cc1ccccc1[C@@H]1CCN(CC(=O)NCc2cccc(COCc3ccco3)c2)C1 ZINC000507166026 915905491 /nfs/dbraw/zinc/90/54/91/915905491.db2.gz UJVOJORXDWNPRN-HSZRJFAPSA-N 0 1 418.537 4.411 20 0 HIADMN COc1cc(CN2CCC(NC(=O)c3ccccc3C)CC2)c(SC)cc1OC ZINC000507167100 915908367 /nfs/dbraw/zinc/90/83/67/915908367.db2.gz IELBTXIWYRUMQD-UHFFFAOYSA-N 0 1 414.571 4.129 20 0 HIADMN CCCN(CC(=O)N1CCC[C@H](C(=O)OCC)C1)[C@H](C)c1cc2ccccc2o1 ZINC000507188980 915938427 /nfs/dbraw/zinc/93/84/27/915938427.db2.gz SOFWEYRFISQVCZ-MJGOQNOKSA-N 0 1 400.519 4.008 20 0 HIADMN C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000507213059 915963763 /nfs/dbraw/zinc/96/37/63/915963763.db2.gz BLYJAGZQCNJUOX-GOSISDBHSA-N 0 1 423.532 4.234 20 0 HIADMN COc1cc(CN(C)[C@@H](C)c2ccco2)cc(I)c1OC ZINC000507233938 915992891 /nfs/dbraw/zinc/99/28/91/915992891.db2.gz WKAVRFNJNLEKDW-NSHDSACASA-N 0 1 401.244 4.094 20 0 HIADMN 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0 HIADMN O=C(NCCCCOCc1ccccc1)c1n[nH]c2ccc(Br)cc21 ZINC000521969199 929605907 /nfs/dbraw/zinc/60/59/07/929605907.db2.gz FKNQKJCLOKQUBA-UHFFFAOYSA-N 0 1 402.292 4.052 20 0 HIADMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000521985365 929611649 /nfs/dbraw/zinc/61/16/49/929611649.db2.gz MBMLQVYGTOOBAG-MGPUTAFESA-N 0 1 421.501 4.214 20 0 HIADMN CN(C)[C@H](CNC(=O)NCc1ccc(-n2cnc3ccccc32)cc1)c1ccsc1 ZINC000521992334 929615564 /nfs/dbraw/zinc/61/55/64/929615564.db2.gz XHHVRMSNOWTRPC-JOCHJYFZSA-N 0 1 419.554 4.189 20 0 HIADMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000524481942 929631463 /nfs/dbraw/zinc/63/14/63/929631463.db2.gz UGUCLLDXHPNIOX-QGZVFWFLSA-N 0 1 412.493 4.007 20 0 HIADMN CCCOc1ccc(NC(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)cc1Cl ZINC000524560212 929688450 /nfs/dbraw/zinc/68/84/50/929688450.db2.gz YVXXXBPQDKKZTD-UHFFFAOYSA-N 0 1 415.881 4.244 20 0 HIADMN CCCOc1ccc(NC(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)cc1Cl ZINC000524560212 929688462 /nfs/dbraw/zinc/68/84/62/929688462.db2.gz YVXXXBPQDKKZTD-UHFFFAOYSA-N 0 1 415.881 4.244 20 0 HIADMN Cc1ccc(Cc2nnc(NC(=O)NC[C@H](c3ccc(F)cc3)N(C)C)s2)cc1 ZINC000524565740 929691770 /nfs/dbraw/zinc/69/17/70/929691770.db2.gz HCWQNKUVFCACRP-GOSISDBHSA-N 0 1 413.522 4.001 20 0 HIADMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cccc3ccc(C)nc32)CC1 ZINC000524631527 929741384 /nfs/dbraw/zinc/74/13/84/929741384.db2.gz KPVOCJSAPAOHJF-SFHVURJKSA-N 0 1 420.532 4.315 20 0 HIADMN O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000524648226 929761088 /nfs/dbraw/zinc/76/10/88/929761088.db2.gz JKOHKBUWPHCTEL-PKOBYXMFSA-N 0 1 408.452 4.260 20 0 HIADMN CC[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)c1nc(C)cs1 ZINC000524656892 929769666 /nfs/dbraw/zinc/76/96/66/929769666.db2.gz YAOFSSPOTJPLQT-PMACEKPBSA-N 0 1 416.591 4.438 20 0 HIADMN CCCN(CCc1ccccn1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000524658023 929771874 /nfs/dbraw/zinc/77/18/74/929771874.db2.gz LXTDSKKTXAEHRM-QHCPKHFHSA-N 0 1 424.589 4.282 20 0 HIADMN COc1ccnc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000524666716 929781810 /nfs/dbraw/zinc/78/18/10/929781810.db2.gz HCVCCRSVLPBKRI-UHFFFAOYSA-N 0 1 404.470 4.237 20 0 HIADMN C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000524667334 929782777 /nfs/dbraw/zinc/78/27/77/929782777.db2.gz AHWWOFHMWDPYMP-UUOWRZLLSA-N 0 1 424.564 4.479 20 0 HIADMN O=C(c1ccc(F)cc1)N1CCCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000524682174 929793341 /nfs/dbraw/zinc/79/33/41/929793341.db2.gz MPOAECGTDOYJRY-UHFFFAOYSA-N 0 1 410.411 4.115 20 0 HIADMN C[C@H](NC(=O)Nc1ccc2ncsc2c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000524698522 929804094 /nfs/dbraw/zinc/80/40/94/929804094.db2.gz CIJFMUYUYVTUDK-AWEZNQCLSA-N 0 1 413.522 4.070 20 0 HIADMN CCc1ccc(CNC(=O)CN(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)s1 ZINC000524717703 929809222 /nfs/dbraw/zinc/80/92/22/929809222.db2.gz ZYNXSNGUPQEGQY-UHFFFAOYSA-N 0 1 414.550 4.021 20 0 HIADMN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3cc(Cl)ccc3F)ccc2NC1=O ZINC000524721702 929810087 /nfs/dbraw/zinc/81/00/87/929810087.db2.gz LYNQPXDZZLYJAS-SOZUMNATSA-N 0 1 419.884 4.266 20 0 HIADMN Cc1ccccc1C[C@@H](C)NC(=O)CN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000524755521 929820281 /nfs/dbraw/zinc/82/02/81/929820281.db2.gz FOYICUNNOSGSMW-LJQANCHMSA-N 0 1 422.548 4.136 20 0 HIADMN CCOc1cc(CNCc2cc(F)ccc2SC)ccc1O[C@@H](C)C(=O)N(C)C ZINC000524773192 929824740 /nfs/dbraw/zinc/82/47/40/929824740.db2.gz BRQGBNDVDWDIRN-HNNXBMFYSA-N 0 1 420.550 4.092 20 0 HIADMN COc1ccc([C@@H](CNC(=O)N2CCc3c(Cl)cccc3C2)N2CCCC2)cc1 ZINC000524805959 929836266 /nfs/dbraw/zinc/83/62/66/929836266.db2.gz CPCRBYPNLBFATC-JOCHJYFZSA-N 0 1 413.949 4.253 20 0 HIADMN CN(CCCCOc1ccccc1C(F)(F)F)Cc1ccc(S(C)(=O)=O)cc1 ZINC000524892371 929875805 /nfs/dbraw/zinc/87/58/05/929875805.db2.gz SCKQTUZQLXDSSM-UHFFFAOYSA-N 0 1 415.477 4.400 20 0 HIADMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000524908238 929883707 /nfs/dbraw/zinc/88/37/07/929883707.db2.gz KHAAYUUVZHWSJP-OAHLLOKOSA-N 0 1 420.340 4.055 20 0 HIADMN CCCN(C)CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 ZINC000524941897 929903457 /nfs/dbraw/zinc/90/34/57/929903457.db2.gz MPKLVKWSNZFXFV-UHFFFAOYSA-N 0 1 421.416 4.293 20 0 HIADMN CCOCCOc1ccc(Br)cc1CNCc1ccccc1N(C)C ZINC000524970306 929934846 /nfs/dbraw/zinc/93/48/46/929934846.db2.gz ZZCZUZZJRLVCDG-UHFFFAOYSA-N 0 1 407.352 4.220 20 0 HIADMN CN(CCc1cccc2ccccc21)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000524995720 929962356 /nfs/dbraw/zinc/96/23/56/929962356.db2.gz XWGXWKGTYGGTPS-UHFFFAOYSA-N 0 1 403.461 4.148 20 0 HIADMN CN(CCc1cccc2ccccc21)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000524995720 929962378 /nfs/dbraw/zinc/96/23/78/929962378.db2.gz XWGXWKGTYGGTPS-UHFFFAOYSA-N 0 1 403.461 4.148 20 0 HIADMN COc1ccc(Br)cc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000525021992 929981755 /nfs/dbraw/zinc/98/17/55/929981755.db2.gz PIJKQPGQBDPCCU-QGZVFWFLSA-N 0 1 416.275 4.438 20 0 HIADMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000525114375 930044779 /nfs/dbraw/zinc/04/47/79/930044779.db2.gz RWUITNFGVQHIPH-SNVBAGLBSA-N 0 1 424.423 4.340 20 0 HIADMN CCC(=O)Nc1ccc(C(=O)CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)cc1 ZINC000525114769 930045322 /nfs/dbraw/zinc/04/53/22/930045322.db2.gz NNSXDPQIONECFE-UHFFFAOYSA-N 0 1 402.426 4.073 20 0 HIADMN COc1ccccc1-c1ccc([C@H](C)N(C)Cc2nn3c(nc(C)cc3=O)s2)cc1 ZINC000525126047 930050335 /nfs/dbraw/zinc/05/03/35/930050335.db2.gz OJSVHEGBUYUUCJ-INIZCTEOSA-N 0 1 420.538 4.328 20 0 HIADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000525148678 930065089 /nfs/dbraw/zinc/06/50/89/930065089.db2.gz LXDPFHAKXVEERG-UHFFFAOYSA-N 0 1 409.574 4.496 20 0 HIADMN OC[C@H](CNCc1csc(-c2ccccn2)n1)Cc1cccc(OC(F)(F)F)c1 ZINC000525181653 930078787 /nfs/dbraw/zinc/07/87/87/930078787.db2.gz DHGSADSTXDVXLE-HNNXBMFYSA-N 0 1 423.460 4.045 20 0 HIADMN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000525223679 930092071 /nfs/dbraw/zinc/09/20/71/930092071.db2.gz DVOLPNMMGZGHKP-HXUWFJFHSA-N 0 1 416.569 4.285 20 0 HIADMN COCCCOc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000525239900 930100499 /nfs/dbraw/zinc/10/04/99/930100499.db2.gz SWLBRKCKDJRCKP-LJQANCHMSA-N 0 1 407.514 4.306 20 0 HIADMN CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCC(OCC2CCCCC2)CC1 ZINC000525272263 930121943 /nfs/dbraw/zinc/12/19/43/930121943.db2.gz JJGJQZXNFONSLM-UHFFFAOYSA-N 0 1 424.532 4.308 20 0 HIADMN CCc1ccc(-c2ccc(CNCc3ccccc3N3CCN(C(C)=O)CC3)o2)cc1 ZINC000525289964 930134307 /nfs/dbraw/zinc/13/43/07/930134307.db2.gz NXMXGLPBNDUUEX-UHFFFAOYSA-N 0 1 417.553 4.467 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2NC1=O ZINC000525293547 930136434 /nfs/dbraw/zinc/13/64/34/930136434.db2.gz BEUPBHKMQWTCPY-PZROIBLQSA-N 0 1 419.884 4.266 20 0 HIADMN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2NC1=O ZINC000525293686 930137461 /nfs/dbraw/zinc/13/74/61/930137461.db2.gz PAZPECHJXJMQAI-KSMMKXTCSA-N 0 1 415.921 4.436 20 0 HIADMN COc1cccc(NC2CCN([C@@H]3CCCN(c4ccc(F)cc4C)C3=O)CC2)c1 ZINC000525308999 930148297 /nfs/dbraw/zinc/14/82/97/930148297.db2.gz XDNAFWQYDZIIKQ-HSZRJFAPSA-N 0 1 411.521 4.215 20 0 HIADMN COc1ccc([C@H](NC(=O)NCCCc2cn[nH]c2C)c2ccccc2Cl)cc1 ZINC000525314820 930153795 /nfs/dbraw/zinc/15/37/95/930153795.db2.gz WORCVOPGNVTUKS-NRFANRHFSA-N 0 1 412.921 4.402 20 0 HIADMN CC(C)CCn1cc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)nn1 ZINC000525339836 930177280 /nfs/dbraw/zinc/17/72/80/930177280.db2.gz NTTWIXMIKSKDGT-UHFFFAOYSA-N 0 1 410.428 4.398 20 0 HIADMN CCOC(=O)CCc1ccc(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000525342825 930179341 /nfs/dbraw/zinc/17/93/41/930179341.db2.gz DABQRWSQDJTRQP-HXUWFJFHSA-N 0 1 413.518 4.042 20 0 HIADMN Cc1cccc([C@@H](C)CNC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000525497800 930283858 /nfs/dbraw/zinc/28/38/58/930283858.db2.gz BZDVVMMWJWLXEB-SFHVURJKSA-N 0 1 403.530 4.473 20 0 HIADMN O=S(=O)(Nc1cc(F)ccc1SCC(F)F)c1cc(F)c(F)c(F)c1 ZINC000525522622 930300996 /nfs/dbraw/zinc/30/09/96/930300996.db2.gz RLYIQHPJEUAZNU-UHFFFAOYSA-N 0 1 401.353 4.401 20 0 HIADMN CN(C(=O)c1cccc(Sc2cccc(Br)c2)n1)[C@@H]1CCCN(C)C1 ZINC000525524937 930301451 /nfs/dbraw/zinc/30/14/51/930301451.db2.gz RFGMZUHYOOKVMU-OAHLLOKOSA-N 0 1 420.376 4.162 20 0 HIADMN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000525525405 930301675 /nfs/dbraw/zinc/30/16/75/930301675.db2.gz KPFBPAXFKKBNEI-AWEZNQCLSA-N 0 1 405.951 4.128 20 0 HIADMN CN(C)[C@@H](CNC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)c1cccs1 ZINC000525525214 930301955 /nfs/dbraw/zinc/30/19/55/930301955.db2.gz ZRWVSVWLLCCKBC-INIZCTEOSA-N 0 1 422.982 4.354 20 0 HIADMN Cc1c(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000525571654 930337238 /nfs/dbraw/zinc/33/72/38/930337238.db2.gz TWUGXMXHDGJKSU-YCRPNKLZSA-N 0 1 413.587 4.353 20 0 HIADMN C[C@H]1CCN(C)CCN1C(=O)c1cccc(Sc2cccc(Br)c2)n1 ZINC000525575843 930339985 /nfs/dbraw/zinc/33/99/85/930339985.db2.gz XQKXLSNRXULLCW-AWEZNQCLSA-N 0 1 420.376 4.162 20 0 HIADMN COCCN1CC[C@H](NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)cc2)C1 ZINC000525575795 930340170 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20 0 HIADMN Cc1ccccc1CN(C)C(=O)[C@@H](C)Sc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000525627428 930371724 /nfs/dbraw/zinc/37/17/24/930371724.db2.gz JRFWVWALAAMRHA-CYBMUJFWSA-N 0 1 402.470 4.198 20 0 HIADMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000525659193 930389536 /nfs/dbraw/zinc/38/95/36/930389536.db2.gz LMIAUQJVDJCOLF-IFMALSPDSA-N 0 1 418.497 4.107 20 0 HIADMN CN(C)[C@H](CNC(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)c1cccc(F)c1 ZINC000525741123 930422687 /nfs/dbraw/zinc/42/26/87/930422687.db2.gz ICVCOJUWIRQNJC-HXUWFJFHSA-N 0 1 415.509 4.134 20 0 HIADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc(CSC)c1 ZINC000525747687 930426776 /nfs/dbraw/zinc/42/67/76/930426776.db2.gz IIFXZLHAMDUFPN-UHFFFAOYSA-N 0 1 414.575 4.344 20 0 HIADMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cc(F)ccc3OC(C)C)[nH]c2c1 ZINC000525749615 930428537 /nfs/dbraw/zinc/42/85/37/930428537.db2.gz FCXMXXPGWSNMCW-LJQANCHMSA-N 0 1 424.476 4.100 20 0 HIADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(-c2nc(CC3CC3)no2)c1 ZINC000525750106 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ZINC000538388191 938609034 /nfs/dbraw/zinc/60/90/34/938609034.db2.gz UTUJCURJZBHPGK-XLIONFOSSA-N 0 1 416.591 4.047 20 0 HIADMN CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(Cc2ccccc2C)CC1 ZINC000563466447 945191213 /nfs/dbraw/zinc/19/12/13/945191213.db2.gz UTNBPUNERYFXCD-IBGZPJMESA-N 0 1 423.536 4.208 20 0 HIADMN O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538651336 938673123 /nfs/dbraw/zinc/67/31/23/938673123.db2.gz SYNLLNLPIKKRMX-AYOQOUSVSA-N 0 1 408.452 4.260 20 0 HIADMN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538651338 938673146 /nfs/dbraw/zinc/67/31/46/938673146.db2.gz SYNLLNLPIKKRMX-KFKAGJAMSA-N 0 1 408.452 4.260 20 0 HIADMN O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538651340 938673265 /nfs/dbraw/zinc/67/32/65/938673265.db2.gz SYNLLNLPIKKRMX-ZYSHUDEJSA-N 0 1 408.452 4.260 20 0 HIADMN COc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)ccc1OC(C)C ZINC000538651804 938673757 /nfs/dbraw/zinc/67/37/57/938673757.db2.gz HVUGQYPHZGSJGD-LJQANCHMSA-N 0 1 420.513 4.287 20 0 HIADMN O=C(CCOc1ccccc1Cl)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000538651835 938673857 /nfs/dbraw/zinc/67/38/57/938673857.db2.gz IJCCIQIDTFDZNO-KRWDZBQOSA-N 0 1 410.905 4.300 20 0 HIADMN CC(C)COc1ncccc1C(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538651640 938673863 /nfs/dbraw/zinc/67/38/63/938673863.db2.gz HTPLENQHDJXMNX-GOSISDBHSA-N 0 1 411.550 4.302 20 0 HIADMN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538653464 938674505 /nfs/dbraw/zinc/67/45/05/938674505.db2.gz WKDVYXCVTYYGJO-GOSISDBHSA-N 0 1 420.561 4.458 20 0 HIADMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(-c2ccccn2)[nH]c1=O ZINC000538656543 938675134 /nfs/dbraw/zinc/67/51/34/938675134.db2.gz DKXXNCLHPFNBQZ-UHFFFAOYSA-N 0 1 408.421 4.040 20 0 HIADMN Cc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nn1-c1cc(C)cc(C)c1 ZINC000538661127 938676755 /nfs/dbraw/zinc/67/67/55/938676755.db2.gz CESZOUXEMSEPSX-GOSISDBHSA-N 0 1 419.533 4.205 20 0 HIADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000538665558 938679612 /nfs/dbraw/zinc/67/96/12/938679612.db2.gz IAEPSUHSJMPICK-HOCLYGCPSA-N 0 1 417.504 4.337 20 0 HIADMN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000538665558 938679613 /nfs/dbraw/zinc/67/96/13/938679613.db2.gz IAEPSUHSJMPICK-HOCLYGCPSA-N 0 1 417.504 4.337 20 0 HIADMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)c(Cl)c1 ZINC000538665728 938679765 /nfs/dbraw/zinc/67/97/65/938679765.db2.gz VGIUIJUXHHRJKX-MRXNPFEDSA-N 0 1 416.934 4.002 20 0 HIADMN CC(=O)CCc1ccc2oc(C(=O)N[C@H]3CN(C)C[C@@H]3c3ccccc3)c(C)c2c1 ZINC000538702922 938686613 /nfs/dbraw/zinc/68/66/13/938686613.db2.gz SHCDEWBHXGOPJD-YADHBBJMSA-N 0 1 404.510 4.090 20 0 HIADMN CC(C)[C@@H]1C[C@H](N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CCO1 ZINC000538712580 938687803 /nfs/dbraw/zinc/68/78/03/938687803.db2.gz IFCRHIKBZCGTAS-WTNAPCKOSA-N 0 1 423.525 4.251 20 0 HIADMN CCOC(=O)C1(O)CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000538718649 938690234 /nfs/dbraw/zinc/69/02/34/938690234.db2.gz FRCIRQFFEXPCOE-UHFFFAOYSA-N 0 1 424.360 4.068 20 0 HIADMN Clc1ccc(-n2cc(CN3CCC(n4cc(Br)cn4)CC3)cn2)cc1 ZINC000538729429 938694691 /nfs/dbraw/zinc/69/46/91/938694691.db2.gz ORPNOBCRWWTSGF-UHFFFAOYSA-N 0 1 420.742 4.322 20 0 HIADMN COCCn1ccc2ccc(NS(=O)(=O)c3cccc(C)c3Br)cc21 ZINC000538841587 938723566 /nfs/dbraw/zinc/72/35/66/938723566.db2.gz KTRAZVGQHARQAK-UHFFFAOYSA-N 0 1 423.332 4.159 20 0 HIADMN CN(C)[C@H](CNC(=O)Cc1cccc(OCc2cccnc2)c1)c1ccc(Cl)cc1 ZINC000538863634 938727755 /nfs/dbraw/zinc/72/77/55/938727755.db2.gz GSTGWBHFELOYJT-HSZRJFAPSA-N 0 1 423.944 4.276 20 0 HIADMN CCc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cn1 ZINC000563480312 945199911 /nfs/dbraw/zinc/19/99/11/945199911.db2.gz XGCCRKRNGOCXIT-UHFFFAOYSA-N 0 1 402.336 4.257 20 0 HIADMN COc1ccc(COCCN[C@H](C)c2ccccc2I)cc1 ZINC000539038508 938776958 /nfs/dbraw/zinc/77/69/58/938776958.db2.gz ZSOCPZYNRALPMV-CQSZACIVSA-N 0 1 411.283 4.167 20 0 HIADMN CCc1nc2c(s1)[C@H](N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1)CCC2 ZINC000539045477 938781232 /nfs/dbraw/zinc/78/12/32/938781232.db2.gz AGVLTJPNMMMCGV-WSTZPKSXSA-N 0 1 405.995 4.398 20 0 HIADMN C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000539054983 938785365 /nfs/dbraw/zinc/78/53/65/938785365.db2.gz MMQWNMBJCUBTCR-MLGOLLRUSA-N 0 1 406.349 4.295 20 0 HIADMN C[C@@H](N[C@H]1CC(C)(C)Oc2cc(F)ccc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539057476 938786430 /nfs/dbraw/zinc/78/64/30/938786430.db2.gz AUFGDXKPYGBLMC-KUHUBIRLSA-N 0 1 406.523 4.029 20 0 HIADMN C[C@@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000539059577 938787157 /nfs/dbraw/zinc/78/71/57/938787157.db2.gz PUKJYPUADCCETO-XIKOKIGWSA-N 0 1 403.320 4.063 20 0 HIADMN COc1cccc(C[C@H](NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc2)c1 ZINC000539066731 938790582 /nfs/dbraw/zinc/79/05/82/938790582.db2.gz VJTBYGHEEWBMPG-QHCPKHFHSA-N 0 1 413.514 4.182 20 0 HIADMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC000563491214 945204448 /nfs/dbraw/zinc/20/44/48/945204448.db2.gz QEUPZPBKWIRQMX-NRFANRHFSA-N 0 1 423.532 4.343 20 0 HIADMN COc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)cc(Br)c1OC ZINC000539079255 938797435 /nfs/dbraw/zinc/79/74/35/938797435.db2.gz WGVFUMBPZPBLRE-YYUOZPCZSA-N 0 1 412.349 4.055 20 0 HIADMN Cc1c([C@H](C)NCCc2nc(-c3ccc(Cl)cc3)no2)nnn1-c1ccc(C)cc1 ZINC000539081179 938798300 /nfs/dbraw/zinc/79/83/00/938798300.db2.gz YUTVISZYYQMTID-HNNXBMFYSA-N 0 1 422.920 4.481 20 0 HIADMN CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1OC(F)F ZINC000539089850 938800537 /nfs/dbraw/zinc/80/05/37/938800537.db2.gz HPNGDQKKFQIWSJ-KDOFPFPSSA-N 0 1 412.502 4.340 20 0 HIADMN COc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)NCc3ccco3)c1)CCCO2 ZINC000539090224 938800769 /nfs/dbraw/zinc/80/07/69/938800769.db2.gz BAZVFPQGSTZGCP-QFIPXVFZSA-N 0 1 406.482 4.222 20 0 HIADMN Cc1cc(Cl)cc2c1OCCC[C@@H]2N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000539092172 938801284 /nfs/dbraw/zinc/80/12/84/938801284.db2.gz YLOGIFOKSWXUIQ-QRWLVFNGSA-N 0 1 422.978 4.463 20 0 HIADMN CC[C@@H](NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)s1 ZINC000539093519 938801816 /nfs/dbraw/zinc/80/18/16/938801816.db2.gz NZOWZSRKGDNRNV-DLBZAZTESA-N 0 1 422.978 4.316 20 0 HIADMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3OCC(F)F)n2)cc1 ZINC000539096773 938802160 /nfs/dbraw/zinc/80/21/60/938802160.db2.gz BXQQRRJXPYMDFG-UHFFFAOYSA-N 0 1 422.432 4.294 20 0 HIADMN COCC1(C)CCN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000539098203 938802719 /nfs/dbraw/zinc/80/27/19/938802719.db2.gz LXDIXGKCOOTTNA-SFHVURJKSA-N 0 1 413.587 4.449 20 0 HIADMN C[C@@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(F)cc1N(C)C ZINC000539121965 938805948 /nfs/dbraw/zinc/80/59/48/938805948.db2.gz LLGAGHKCONKSKG-GFCCVEGCSA-N 0 1 418.314 4.290 20 0 HIADMN C[C@@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1N(C)C ZINC000539121965 938805949 /nfs/dbraw/zinc/80/59/49/938805949.db2.gz LLGAGHKCONKSKG-GFCCVEGCSA-N 0 1 418.314 4.290 20 0 HIADMN Cc1cccn2c(=O)c(C(=O)Nc3ccc4nc(C5CCCCC5)[nH]c4c3)cnc12 ZINC000539123265 938806240 /nfs/dbraw/zinc/80/62/40/938806240.db2.gz CSQAGSGTIALNGA-UHFFFAOYSA-N 0 1 401.470 4.179 20 0 HIADMN C[C@@H](OC[C@H](O)CN1CC(c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000539144787 938810662 /nfs/dbraw/zinc/81/06/62/938810662.db2.gz URYYIBWTMGSACJ-RDTXWAMCSA-N 0 1 402.947 4.488 20 0 HIADMN C[C@H](OC[C@H](O)CN1CC(c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000539144784 938810703 /nfs/dbraw/zinc/81/07/03/938810703.db2.gz URYYIBWTMGSACJ-KBXCAEBGSA-N 0 1 402.947 4.488 20 0 HIADMN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000563498135 945205882 /nfs/dbraw/zinc/20/58/82/945205882.db2.gz NFVUDBHEVPNATJ-UHFFFAOYSA-N 0 1 415.515 4.210 20 0 HIADMN CC(C)Oc1ccccc1[C@H](C)NC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000539174703 938815661 /nfs/dbraw/zinc/81/56/61/938815661.db2.gz HWEYLGGJHGZCBF-LBPRGKRZSA-N 0 1 416.428 4.104 20 0 HIADMN Cc1sc2nc(CN3CCC[C@H](c4nc5cc(C)ccc5[nH]4)C3)nc(N)c2c1C ZINC000539219970 938820726 /nfs/dbraw/zinc/82/07/26/938820726.db2.gz FJGOCWJWFFYCBX-HNNXBMFYSA-N 0 1 406.559 4.455 20 0 HIADMN Cc1sc2nc(CN3CCC[C@H](c4nc5ccc(C)cc5[nH]4)C3)nc(N)c2c1C ZINC000539219970 938820731 /nfs/dbraw/zinc/82/07/31/938820731.db2.gz FJGOCWJWFFYCBX-HNNXBMFYSA-N 0 1 406.559 4.455 20 0 HIADMN C[C@@H](N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(OCc2cccnc2)cc1 ZINC000539225574 938821400 /nfs/dbraw/zinc/82/14/00/938821400.db2.gz IFIUWQGCWGHBMU-OPAMFIHVSA-N 0 1 423.463 4.395 20 0 HIADMN COc1cc([C@H](C)NCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc(OC)c1OC ZINC000539227155 938821821 /nfs/dbraw/zinc/82/18/21/938821821.db2.gz YYSQGXACJARALQ-NYHFZMIOSA-N 0 1 418.509 4.016 20 0 HIADMN C[C@H](NCC(=O)Nc1cccc(F)c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000539226264 938821831 /nfs/dbraw/zinc/82/18/31/938821831.db2.gz MJNBYEMGLQGCHI-INIZCTEOSA-N 0 1 423.463 4.435 20 0 HIADMN CC(=O)Nc1cccc([C@@H](C)NCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c1 ZINC000539229121 938822187 /nfs/dbraw/zinc/82/21/87/938822187.db2.gz FAXIIUKAWTUOKW-QGZVFWFLSA-N 0 1 411.521 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/nfs/dbraw/zinc/76/17/17/939761717.db2.gz NUGNHLAYBGIIDZ-UHFFFAOYSA-N 0 1 407.442 4.275 20 0 HIADMN COc1cc([C@H](C)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)ccc1OC(C)C ZINC000542230784 939766276 /nfs/dbraw/zinc/76/62/76/939766276.db2.gz GJZQSNSWCRFEDD-KBXCAEBGSA-N 0 1 424.463 4.248 20 0 HIADMN COc1cc([C@@H](C)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)ccc1OC(C)C ZINC000542230791 939766632 /nfs/dbraw/zinc/76/66/32/939766632.db2.gz GJZQSNSWCRFEDD-RDTXWAMCSA-N 0 1 424.463 4.248 20 0 HIADMN Cc1noc(C2CCC(NC(=O)c3cccc(CN(C)Cc4ccccc4)c3)CC2)n1 ZINC000542234529 939767974 /nfs/dbraw/zinc/76/79/74/939767974.db2.gz LKFVSGIFNRPXFK-UHFFFAOYSA-N 0 1 418.541 4.466 20 0 HIADMN COc1cc([C@@H](C)N[C@H](Cc2ccc(F)cc2)C(N)=O)ccc1OCc1ccccc1 ZINC000542234958 939769788 /nfs/dbraw/zinc/76/97/88/939769788.db2.gz MLBVQZKSPUHDIV-VGOFRKELSA-N 0 1 422.500 4.161 20 0 HIADMN COc1cc([C@H](C)N[C@H](Cc2ccc(F)cc2)C(N)=O)ccc1OCc1ccccc1 ZINC000542234956 939769888 /nfs/dbraw/zinc/76/98/88/939769888.db2.gz MLBVQZKSPUHDIV-HTAPYJJXSA-N 0 1 422.500 4.161 20 0 HIADMN Cc1nc(-c2ccc(C)cc2NC(=O)CN2CC[C@H](c3cc(C)cc(C)c3)C2)n[nH]1 ZINC000542315409 939797914 /nfs/dbraw/zinc/79/79/14/939797914.db2.gz FIKDJIQLVOOMAF-IBGZPJMESA-N 0 1 403.530 4.133 20 0 HIADMN C[C@@H](CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)N1CCc2ccccc2C1 ZINC000542328832 939801365 /nfs/dbraw/zinc/80/13/65/939801365.db2.gz MOIAOJZNFFCTEB-UGKGYDQZSA-N 0 1 420.601 4.056 20 0 HIADMN CCc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)n[nH]1 ZINC000542338823 939803078 /nfs/dbraw/zinc/80/30/78/939803078.db2.gz LAXPNVHSSCZWNW-UHFFFAOYSA-N 0 1 400.895 4.213 20 0 HIADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N(C)C[C@H](C)c2nccs2)CC1 ZINC000542357395 939806785 /nfs/dbraw/zinc/80/67/85/939806785.db2.gz HRHOHANJNLYYQF-HNNXBMFYSA-N 0 1 421.998 4.206 20 0 HIADMN COc1ccccc1[C@@H](CNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1)N1CCCC1 ZINC000542385296 939811840 /nfs/dbraw/zinc/81/18/40/939811840.db2.gz SPYHTPAGTKDWIQ-FXAWDEMLSA-N 0 1 411.550 4.130 20 0 HIADMN COc1ccc([C@@H](CNC(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)N2CCCC2)cc1 ZINC000542386702 939812118 /nfs/dbraw/zinc/81/21/18/939812118.db2.gz HJOWBYOGHNLNBD-DYESRHJHSA-N 0 1 411.550 4.130 20 0 HIADMN COc1cccc([C@@H](CNC(=O)Nc2cc(F)c(OC(C)C)c(F)c2)N(C)C)c1 ZINC000542395464 939813810 /nfs/dbraw/zinc/81/38/10/939813810.db2.gz WTWVVUCNXLWKCW-LJQANCHMSA-N 0 1 407.461 4.185 20 0 HIADMN CSc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)nc1 ZINC000542399309 939814769 /nfs/dbraw/zinc/81/47/69/939814769.db2.gz LETNIWUVYLXZJA-HNNXBMFYSA-N 0 1 400.552 4.381 20 0 HIADMN CCc1cnccc1[C@@H](C)NC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000542411380 939816888 /nfs/dbraw/zinc/81/68/88/939816888.db2.gz HUHDVNRJJWWAKU-VQIMIIECSA-N 0 1 410.566 4.460 20 0 HIADMN CC(C)(CNC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)c1cccs1 ZINC000542416461 939817514 /nfs/dbraw/zinc/81/75/14/939817514.db2.gz OEMCWLJGMQVYLG-KRWDZBQOSA-N 0 1 409.559 4.400 20 0 HIADMN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000542425171 939820122 /nfs/dbraw/zinc/82/01/22/939820122.db2.gz YZZDXOLLADLEIB-QGZVFWFLSA-N 0 1 411.531 4.408 20 0 HIADMN COc1ccc(-c2cc(C(=O)Nc3nn(C4CCCCC4)cc3C)[nH]n2)cc1OC ZINC000542426011 939820170 /nfs/dbraw/zinc/82/01/70/939820170.db2.gz JZTFZPZGNYOTKT-UHFFFAOYSA-N 0 1 409.490 4.356 20 0 HIADMN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000542425169 939820208 /nfs/dbraw/zinc/82/02/08/939820208.db2.gz YZZDXOLLADLEIB-KRWDZBQOSA-N 0 1 411.531 4.408 20 0 HIADMN CC(C)(C)c1ccc(/C=C/C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001123372918 939823404 /nfs/dbraw/zinc/82/34/04/939823404.db2.gz ZBCWYKHJPIJHQS-YZGDDWERSA-N 0 1 420.553 4.233 20 0 HIADMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000542441622 939823476 /nfs/dbraw/zinc/82/34/76/939823476.db2.gz VRHWFQTWYMYNLQ-INIZCTEOSA-N 0 1 416.543 4.004 20 0 HIADMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cn(-c2ccncc2)nc1C ZINC000542466715 939827979 /nfs/dbraw/zinc/82/79/79/939827979.db2.gz HXNIWXHWJVVQDA-UHFFFAOYSA-N 0 1 417.435 4.055 20 0 HIADMN COc1cc(OC)cc(N2CC[C@@H](N[C@H](c3ccccc3)c3ccc(F)cn3)C2)c1 ZINC000542472023 939828748 /nfs/dbraw/zinc/82/87/48/939828748.db2.gz HZVQVMMKSBJYJH-NTKDMRAZSA-N 0 1 407.489 4.196 20 0 HIADMN CCn1c(C(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc2ccccc21 ZINC000542475117 939829419 /nfs/dbraw/zinc/82/94/19/939829419.db2.gz QGMJZYGJHVPIHX-GOSISDBHSA-N 0 1 413.403 4.318 20 0 HIADMN COc1cccc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1OC ZINC000542478928 939830233 /nfs/dbraw/zinc/83/02/33/939830233.db2.gz QOJZHCNSDRXHRV-OAQYLSRUSA-N 0 1 418.484 4.328 20 0 HIADMN Cc1csc(CCCCNCc2ncc(Br)cc2Br)n1 ZINC000542518441 939836267 /nfs/dbraw/zinc/83/62/67/939836267.db2.gz MGSYOEIWFJFSOE-UHFFFAOYSA-N 0 1 419.186 4.484 20 0 HIADMN O=C(CN[C@@H](c1cccnc1)C1CC1)Nc1cccc(CSc2ccccn2)c1 ZINC000542519137 939836284 /nfs/dbraw/zinc/83/62/84/939836284.db2.gz UQGUTDOKRCVWAJ-HSZRJFAPSA-N 0 1 404.539 4.448 20 0 HIADMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000542530997 939838531 /nfs/dbraw/zinc/83/85/31/939838531.db2.gz IRQADEZJPAYROH-UUCFBXCCSA-N 0 1 414.516 4.283 20 0 HIADMN Cc1csc([C@@H](C)CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)n1 ZINC000542560058 939843928 /nfs/dbraw/zinc/84/39/28/939843928.db2.gz UIOJAQMNZWWWMT-KSSFIOAISA-N 0 1 406.983 4.345 20 0 HIADMN CC[C@@H](NC[C@H](O)Cn1cnc2cc(C)c(C)cc21)c1nc(C(F)(F)F)cs1 ZINC000542565129 939844406 /nfs/dbraw/zinc/84/44/06/939844406.db2.gz JCCHQQMHEUWXPY-UONOGXRCSA-N 0 1 412.481 4.230 20 0 HIADMN CC[C@@H](NC[C@@H](O)Cn1cnc2cc(C)c(C)cc21)c1nc(C(F)(F)F)cs1 ZINC000542565130 939844415 /nfs/dbraw/zinc/84/44/15/939844415.db2.gz JCCHQQMHEUWXPY-ZIAGYGMSSA-N 0 1 412.481 4.230 20 0 HIADMN Cc1nc(-c2ccccc2Br)sc1[C@H](C)NCC(=O)N(C)C1CC1 ZINC000542567502 939844666 /nfs/dbraw/zinc/84/46/66/939844666.db2.gz AXEDOINKCXVMBC-NSHDSACASA-N 0 1 408.365 4.152 20 0 HIADMN COc1ccc2oc([C@H](C)NCC(=O)N3CCc4[nH]c5ccccc5c4C3)c(C)c2c1 ZINC000542582197 939846044 /nfs/dbraw/zinc/84/60/44/939846044.db2.gz FESIYFONVVHXLW-INIZCTEOSA-N 0 1 417.509 4.467 20 0 HIADMN CCCCc1nnc(NC(=O)CN[C@@H](C)c2oc3ccc(OC)cc3c2C)s1 ZINC000542584165 939846248 /nfs/dbraw/zinc/84/62/48/939846248.db2.gz HLDTUXXPMHWDQH-ZDUSSCGKSA-N 0 1 402.520 4.233 20 0 HIADMN CCOc1cccc2cc([C@H](C)NCC(=O)Nc3ccc4c(c3)OCCCO4)oc21 ZINC000542586608 939846500 /nfs/dbraw/zinc/84/65/00/939846500.db2.gz GUKLRLQWOZFCKE-HNNXBMFYSA-N 0 1 410.470 4.282 20 0 HIADMN COc1ccccc1CCNC(=O)CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000542589471 939846727 /nfs/dbraw/zinc/84/67/27/939846727.db2.gz BQRNSRXGGNZJMY-QGZVFWFLSA-N 0 1 423.582 4.445 20 0 HIADMN COc1cccc(-c2noc([C@@H](C)NCCCc3nc(-c4cccs4)no3)n2)c1 ZINC000542616590 939848925 /nfs/dbraw/zinc/84/89/25/939848925.db2.gz BXJJBOCTHKZNPY-CYBMUJFWSA-N 0 1 411.487 4.140 20 0 HIADMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CCN1C ZINC000542642660 939851206 /nfs/dbraw/zinc/85/12/06/939851206.db2.gz LZWHSCQSPSDGGT-STQMWFEESA-N 0 1 424.423 4.107 20 0 HIADMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)CCN1C ZINC000542642657 939851283 /nfs/dbraw/zinc/85/12/83/939851283.db2.gz LZWHSCQSPSDGGT-CHWSQXEVSA-N 0 1 424.423 4.107 20 0 HIADMN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000542671279 939853068 /nfs/dbraw/zinc/85/30/68/939853068.db2.gz QKYMOKIIUDLHNR-OALUTQOASA-N 0 1 422.550 4.452 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc(N2CCCc3ccccc32)cc1 ZINC000542672622 939853128 /nfs/dbraw/zinc/85/31/28/939853128.db2.gz URHMYUCYHDHFHZ-HSZRJFAPSA-N 0 1 409.493 4.408 20 0 HIADMN O=C(COc1ccc(-c2ccccc2)cc1Cl)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000542672620 939853254 /nfs/dbraw/zinc/85/32/54/939853254.db2.gz UNMQXALZJBILDX-QFIPXVFZSA-N 0 1 418.884 4.410 20 0 HIADMN CCn1cc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c(=O)c2cc(Cl)ccc21 ZINC000542687337 939854227 /nfs/dbraw/zinc/85/42/27/939854227.db2.gz RYBBWRZNYLURKC-UHFFFAOYSA-N 0 1 407.861 4.021 20 0 HIADMN CCC[C@H]1CN(C(=O)Nc2ccccc2COC(C)(C)CC)CCN1CCOC ZINC000542719183 939856391 /nfs/dbraw/zinc/85/63/91/939856391.db2.gz XMSWBIZNOTUZHR-FQEVSTJZSA-N 0 1 405.583 4.356 20 0 HIADMN Cc1[nH]c(SCC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)nc1Cc1ccccc1 ZINC000542741500 939858477 /nfs/dbraw/zinc/85/84/77/939858477.db2.gz MEXHSMQSGBZTBT-IERDGZPVSA-N 0 1 406.555 4.406 20 0 HIADMN C[C@H]1Oc2ccc(NC(=O)c3cccc4nc(-c5cccs5)[nH]c43)cc2NC1=O ZINC000542773011 939860164 /nfs/dbraw/zinc/86/01/64/939860164.db2.gz MCRGCAMCKHVYJB-LLVKDONJSA-N 0 1 404.451 4.263 20 0 HIADMN O=C(NCCNC(=O)c1ccccc1Cl)c1cccc2nc(-c3cccs3)[nH]c21 ZINC000542772931 939860190 /nfs/dbraw/zinc/86/01/90/939860190.db2.gz JPJJWGCEWRXPME-UHFFFAOYSA-N 0 1 424.913 4.105 20 0 HIADMN OC[C@H](NCc1cc(F)cc(Br)c1)c1cccc(Br)c1 ZINC000542913447 939876742 /nfs/dbraw/zinc/87/67/42/939876742.db2.gz MKNAJEUKFBMORB-HNNXBMFYSA-N 0 1 403.089 4.174 20 0 HIADMN CC(C)[C@@H](NCC(=O)NC[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC000542920835 939877731 /nfs/dbraw/zinc/87/77/31/939877731.db2.gz TYYXHIFGWCUZQB-UZUQRXQVSA-N 0 1 417.956 4.409 20 0 HIADMN COC(=O)c1ccc(-c2nc(CN(C)[C@H]3CCCN(c4ccccc4)C3)co2)cc1 ZINC000542927809 939879599 /nfs/dbraw/zinc/87/95/99/939879599.db2.gz JHDNFYHZWCYYRR-QFIPXVFZSA-N 0 1 405.498 4.229 20 0 HIADMN CCN1CC[C@H](NCc2cn3cc(Cl)ccc3n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542949733 939884119 /nfs/dbraw/zinc/88/41/19/939884119.db2.gz SINOJEGACSYULP-FXAWDEMLSA-N 0 1 408.855 4.330 20 0 HIADMN C[C@H](NCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc([S@](C)=O)cc1 ZINC000542977297 939889897 /nfs/dbraw/zinc/88/98/97/939889897.db2.gz DEGPSXMXHBJFIB-PBYQXAPXSA-N 0 1 422.550 4.292 20 0 HIADMN Fc1ccc(-n2nc(CN3CCC(CCCn4ccnc4)CC3)c3c2CCC3)cc1 ZINC000543059985 939913511 /nfs/dbraw/zinc/91/35/11/939913511.db2.gz PHVLWDKZIWKKGZ-UHFFFAOYSA-N 0 1 407.537 4.389 20 0 HIADMN O=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1ccc(-c2cccs2)o1 ZINC000543074009 939926423 /nfs/dbraw/zinc/92/64/23/939926423.db2.gz ILZRXWPBCPKCAC-UHFFFAOYSA-N 0 1 422.510 4.011 20 0 HIADMN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NCc1ncoc1-c1ccccc1 ZINC000543077427 939928587 /nfs/dbraw/zinc/92/85/87/939928587.db2.gz PMJFRVBVLDMUJS-INIZCTEOSA-N 0 1 418.497 4.197 20 0 HIADMN O=C(Nc1ccc(Oc2nncc3ccccc32)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000543101359 939944597 /nfs/dbraw/zinc/94/45/97/939944597.db2.gz FZBJATLQALQENY-UHFFFAOYSA-N 0 1 408.421 4.460 20 0 HIADMN Cc1nn(-c2ccncc2)cc1[C@H]1Nc2ccccc2C(=O)N1CCc1ccccc1 ZINC000543116531 939954453 /nfs/dbraw/zinc/95/44/53/939954453.db2.gz NXQYFBIPKBIZIC-DEOSSOPVSA-N 0 1 409.493 4.385 20 0 HIADMN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)c1 ZINC000543124828 939958301 /nfs/dbraw/zinc/95/83/01/939958301.db2.gz QHSHPLFHGMZXOV-MRXNPFEDSA-N 0 1 416.934 4.002 20 0 HIADMN O=C1[C@@H](Nc2ccnc3cc(C(F)(F)F)ccc32)CCCN1Cc1ccccn1 ZINC000543137810 939965726 /nfs/dbraw/zinc/96/57/26/939965726.db2.gz PFQNSAXIHQGGJI-SFHVURJKSA-N 0 1 400.404 4.252 20 0 HIADMN O[C@H](CN[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)COC[C@@H]1CCCO1 ZINC000543176788 939986155 /nfs/dbraw/zinc/98/61/55/939986155.db2.gz KDVBMDHNIYZFPL-LVCYWYKZSA-N 0 1 410.341 4.229 20 0 HIADMN O[C@@H](COCc1cccs1)CN1CCC[C@H]1c1ccc(Br)s1 ZINC000543247996 940007583 /nfs/dbraw/zinc/00/75/83/940007583.db2.gz LVAPXIKNJYJGPA-OCCSQVGLSA-N 0 1 402.379 4.287 20 0 HIADMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CC[C@@H](c3cccc(C)c3)C2)c1 ZINC000543250606 940008395 /nfs/dbraw/zinc/00/83/95/940008395.db2.gz XBPXEEVWIWZGJG-OFNKIYASSA-N 0 1 408.542 4.165 20 0 HIADMN CC[C@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1c(C)noc1C ZINC000543334056 940034600 /nfs/dbraw/zinc/03/46/00/940034600.db2.gz AXERRFMBDUGLTP-MSOLQXFVSA-N 0 1 408.506 4.117 20 0 HIADMN Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)s1 ZINC000543347737 940037750 /nfs/dbraw/zinc/03/77/50/940037750.db2.gz BLBCGWQWIBLVGX-QAPCUYQASA-N 0 1 409.559 4.362 20 0 HIADMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1NCc1cccnc1 ZINC000543374749 940046099 /nfs/dbraw/zinc/04/60/99/940046099.db2.gz QGGVOAXNOFZOMF-UHFFFAOYSA-N 0 1 404.861 4.385 20 0 HIADMN O=C(CCCOc1ccccc1F)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000543404095 940053561 /nfs/dbraw/zinc/05/35/61/940053561.db2.gz GANTYNWCFMHOJA-SFHVURJKSA-N 0 1 422.382 4.027 20 0 HIADMN O=C(N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000543404499 940053723 /nfs/dbraw/zinc/05/37/23/940053723.db2.gz MQTBSTOOVSBKFB-UKPHBRMFSA-N 0 1 422.357 4.111 20 0 HIADMN CC(C)([C@@H](NC(=O)CSCc1ccccn1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543411264 940057366 /nfs/dbraw/zinc/05/73/66/940057366.db2.gz GPJXJYGXQWZIBD-NRFANRHFSA-N 0 1 419.541 4.325 20 0 HIADMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000543432161 940062965 /nfs/dbraw/zinc/06/29/65/940062965.db2.gz HEGPHHUKRSTMHX-HBGVWJBISA-N 0 1 416.529 4.397 20 0 HIADMN CCN(C(=O)[C@H](C)N[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)C1CCCCC1 ZINC000543459843 940070038 /nfs/dbraw/zinc/07/00/38/940070038.db2.gz FYIIRECSSSFPAQ-ZFWWWQNUSA-N 0 1 402.505 4.283 20 0 HIADMN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N[C@H](CC)c1ccc(Cl)s1 ZINC000543487908 940080486 /nfs/dbraw/zinc/08/04/86/940080486.db2.gz WGFPFSZJPNFJFV-GDBMZVCRSA-N 0 1 421.994 4.490 20 0 HIADMN 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0 HIADMN COc1cccc(Nc2ccccc2C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)c1 ZINC000574233173 948392682 /nfs/dbraw/zinc/39/26/82/948392682.db2.gz FUXXNGVAHKFLKI-UHFFFAOYSA-N 0 1 418.541 4.428 20 0 HIADMN Cc1nc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c(Br)s1 ZINC000574301368 948406401 /nfs/dbraw/zinc/40/64/01/948406401.db2.gz LFUFALATTMFRBT-HNNXBMFYSA-N 0 1 408.365 4.089 20 0 HIADMN COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1)N1CCCC1 ZINC000574320362 948412161 /nfs/dbraw/zinc/41/21/61/948412161.db2.gz SXIHTBOVZHHZQE-REWPJTCUSA-N 0 1 409.574 4.413 20 0 HIADMN CCC[N@@H+](C)[C@@H](CNC(=O)Cc1cc(F)cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000574421823 948434775 /nfs/dbraw/zinc/43/47/75/948434775.db2.gz GOJHGAQCUZPSRE-FQEVSTJZSA-N 0 1 420.912 4.087 20 0 HIADMN C[C@@H](CNC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1)c1nccs1 ZINC000574441489 948443822 /nfs/dbraw/zinc/44/38/22/948443822.db2.gz QLIISLSCWAHPTH-GOEBONIOSA-N 0 1 402.568 4.002 20 0 HIADMN C/C=C/c1ccc(OC[C@H](O)CNCc2cc(Br)ccc2F)c(OC)c1 ZINC000574476683 948452147 /nfs/dbraw/zinc/45/21/47/948452147.db2.gz XALBTTMLTIWRPC-REMYHPOOSA-N 0 1 424.310 4.159 20 0 HIADMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000574594215 948486679 /nfs/dbraw/zinc/48/66/79/948486679.db2.gz NBDWXSOTKFTJMJ-WMLDXEAASA-N 0 1 413.930 4.371 20 0 HIADMN COc1ccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)c(Cl)c1 ZINC000574599906 948487813 /nfs/dbraw/zinc/48/78/13/948487813.db2.gz WBGVMNZWSDMOIB-UHFFFAOYSA-N 0 1 409.920 4.034 20 0 HIADMN Cc1cccc(COc2ccc([C@@H](C)NC(=O)N[C@@H]3CCc4nc[nH]c4C3)cc2)c1 ZINC000574614837 948492499 /nfs/dbraw/zinc/49/24/99/948492499.db2.gz RXIBTYYEULFJGF-YLJYHZDGSA-N 0 1 404.514 4.215 20 0 HIADMN CC(C)[C@H]1CN([C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CCCO1 ZINC000574621689 948493312 /nfs/dbraw/zinc/49/33/12/948493312.db2.gz RMFDYRDFMCCUQW-GHTZIAJQSA-N 0 1 413.587 4.448 20 0 HIADMN Cc1nc(-c2cccc(NC(=O)CN[C@H](c3ccccc3)C(C)(C)CO)c2)cs1 ZINC000574729943 948516932 /nfs/dbraw/zinc/51/69/32/948516932.db2.gz WPMKMMOJFOVFNF-JOCHJYFZSA-N 0 1 409.555 4.406 20 0 HIADMN CNC(=O)c1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)cc1 ZINC000574743996 948519567 /nfs/dbraw/zinc/51/95/67/948519567.db2.gz ISLKWVDWNYRIIB-IBGZPJMESA-N 0 1 406.448 4.417 20 0 HIADMN CN1CCCN(c2ccc(-c3noc(-c4ccc5cc[nH]c5n4)n3)cc2Cl)CC1 ZINC000574793543 948527444 /nfs/dbraw/zinc/52/74/44/948527444.db2.gz DQBRBCQBFYPPGE-UHFFFAOYSA-N 0 1 408.893 4.075 20 0 HIADMN CC[C@@H](C(=O)N(C)Cc1cc(OC)c(OC)cc1SC)N(C)Cc1ccccc1 ZINC000574800231 948531524 /nfs/dbraw/zinc/53/15/24/948531524.db2.gz CGASLHKCLZRGIE-IBGZPJMESA-N 0 1 416.587 4.295 20 0 HIADMN CCCN(CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)Cc1ccc(F)cc1 ZINC000574831958 948538577 /nfs/dbraw/zinc/53/85/77/948538577.db2.gz CDOXJZGWHHNBTO-QGZVFWFLSA-N 0 1 402.510 4.241 20 0 HIADMN COc1ccc(C[C@H]2CCCN([C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)C2)cc1 ZINC000574852918 948545414 /nfs/dbraw/zinc/54/54/14/948545414.db2.gz LQWBGKPJIXQUPF-UYAOXDASSA-N 0 1 424.541 4.138 20 0 HIADMN C[C@@H](CN(C)C(=O)c1cn[nH]c1-c1ccccn1)Oc1ccc(Cl)c(Cl)c1 ZINC000574948259 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4.181 20 0 HIADMN