smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)CCc3ccccc3)CCN21 ZINC000253396320 291233133 /nfs/dbraw/zinc/23/31/33/291233133.db2.gz DRSCSMOKQVGRAX-QFIPXVFZSA-N 0 0 405.542 3.067 40 0 biogenic,in-vitro HGABRN CCC(CC)C(=O)NC[C@H]1O[C@H](Cc2cc(COc3ccccc3)on2)CC[C@@H]1O ZINC000096268994 291234008 /nfs/dbraw/zinc/23/40/08/291234008.db2.gz UWADIXJSHFNSQM-ILWGZMRPSA-N 0 0 416.518 3.257 40 0 biogenic,in-vitro HGABRN CCN(CC)Cc1nc(C2(O)CCN(C(=O)CCc3ccccc3)CC2)cs1 ZINC000225464336 291234067 /nfs/dbraw/zinc/23/40/67/291234067.db2.gz BVLFDQPQZZTDTN-UHFFFAOYSA-N 0 0 401.576 3.428 40 0 biogenic,in-vitro HGABRN COc1cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000005665087 291238794 /nfs/dbraw/zinc/23/87/94/291238794.db2.gz KOWMJRJXZMEZLD-GKHNXXNSSA-N 0 0 418.442 3.207 40 0 endogenous,in-man HGABRN COc1cc([C@@H]2OC[C@H]3[C@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000105395106 291238805 /nfs/dbraw/zinc/23/88/05/291238805.db2.gz KOWMJRJXZMEZLD-ZYKUOIRYSA-N 0 0 418.442 3.207 40 0 endogenous,in-man HGABRN COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNS(C)(=O)=O)C=C2C)cc1 ZINC000030880575 291240199 /nfs/dbraw/zinc/24/01/99/291240199.db2.gz GXWMPDAXCUSMDA-ZJOUEHCJSA-N 0 0 422.591 3.105 40 0 biogenic,in-vitro HGABRN COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)c3cccs3)n2)cc1 ZINC000015675970 291239734 /nfs/dbraw/zinc/23/97/34/291239734.db2.gz RAMWFUZMOZBXBS-INIZCTEOSA-N 0 0 407.455 3.470 40 0 biogenic,in-vitro HGABRN COc1ccccc1N1CCN(C(=O)c2c(-c3ccccc3)noc2[C@H](C)O)CC1 ZINC000225439192 291241014 /nfs/dbraw/zinc/24/10/14/291241014.db2.gz GWVUKZPHZKFKRV-INIZCTEOSA-N 0 0 407.470 3.366 40 0 biogenic,in-vitro HGABRN Cn1c(CO[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)C[C@H]2F)nc2ccccc21 ZINC000096111995 291242371 /nfs/dbraw/zinc/24/23/71/291242371.db2.gz ULXIWIUBMDPACL-QAPCUYQASA-N 0 0 423.897 3.155 40 0 biogenic,in-vitro HGABRN O=C(N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@H]12)C1CCCC1 ZINC000008296720 291244008 /nfs/dbraw/zinc/24/40/08/291244008.db2.gz MFXFNBIDNFQHKI-HKUYNNGSSA-N 0 0 409.511 3.257 40 0 biogenic,in-vitro HGABRN O=C(Cc1ccccc1)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000225478876 291245509 /nfs/dbraw/zinc/24/55/09/291245509.db2.gz LMZVHBPKHKPBQA-UNMCSNQZSA-N 0 0 413.477 3.219 40 0 biogenic,in-vitro HGABRN O=S(=O)(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)c1ccccc1 ZINC000096296329 291245678 /nfs/dbraw/zinc/24/56/78/291245678.db2.gz PESGAVFIZHASLV-INIZCTEOSA-N 0 0 403.891 3.081 40 0 biogenic,in-vitro HGABRN O=S(=O)(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)c1ccc(Cl)cc1 ZINC000096269303 291245686 /nfs/dbraw/zinc/24/56/86/291245686.db2.gz VIKUJURWOALIRL-INIZCTEOSA-N 0 0 403.891 3.081 40 0 biogenic,in-vitro HGABRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 ZINC000006238771 132309655 /nfs/dbraw/zinc/30/96/55/132309655.db2.gz SQBOCZMQUVHCOH-UHFFFAOYSA-N 0 0 424.570 3.047 40 0 HGABRN O=C(Cc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008024609 132327102 /nfs/dbraw/zinc/32/71/02/132327102.db2.gz QIHIIEBPJJIOMX-UHFFFAOYSA-N 0 0 406.404 3.368 40 0 HGABRN Cn1c2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000012116428 132354370 /nfs/dbraw/zinc/35/43/70/132354370.db2.gz BKOZEIAPVFIOIV-GOSISDBHSA-N 0 0 419.529 3.265 40 0 HGABRN CC[C@H]1Oc2ccc([C@@H](O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O ZINC000012233537 132357320 /nfs/dbraw/zinc/35/73/20/132357320.db2.gz PZCFQHLLRNMFAM-XMSQKQJNSA-N 0 0 412.486 3.314 40 0 HGABRN COc1ccccc1[C@@]1(O)CCCN(CC(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 ZINC000012327853 132358878 /nfs/dbraw/zinc/35/88/78/132358878.db2.gz RKRCFSOQIYRFBS-RUZDIDTESA-N 0 0 422.525 3.161 40 0 HGABRN OC[C@H]1CCCN(c2ncc(-c3ccnc(N4CCCC4)n3)c(-c3ccco3)n2)C1 ZINC000012666776 132365982 /nfs/dbraw/zinc/36/59/82/132365982.db2.gz UZLMBTRODJISSX-INIZCTEOSA-N 0 0 406.490 3.003 40 0 HGABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 ZINC000013680031 132458830 /nfs/dbraw/zinc/45/88/30/132458830.db2.gz VJWZOJCSQAUUOH-INIZCTEOSA-N 0 0 414.405 3.261 40 0 HGABRN Cc1cc(C)n([C@@H](C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)C(C)C)n1 ZINC000019656251 132468447 /nfs/dbraw/zinc/46/84/47/132468447.db2.gz QYAJZRBKBDGLSZ-LJQANCHMSA-N 0 0 404.536 3.048 40 0 HGABRN CC(C)C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccccc1 ZINC000020035245 519240222 /nfs/dbraw/zinc/24/02/22/519240222.db2.gz KDVNWEOZOKYNLB-LJQANCHMSA-N 0 0 421.538 3.342 40 0 HGABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000020024205 519979226 /nfs/dbraw/zinc/97/92/26/519979226.db2.gz JRZUHEULNHWUGF-INIZCTEOSA-N 0 0 404.532 3.194 40 0 HGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)c(Cl)c1 ZINC000020022971 519981823 /nfs/dbraw/zinc/98/18/23/519981823.db2.gz ZSDIYUDQDGUBOW-UHFFFAOYSA-N 0 0 418.849 3.324 40 0 HGABRN CCCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)s1 ZINC000225842341 520571283 /nfs/dbraw/zinc/57/12/83/520571283.db2.gz QDXCOFBJXFFRRE-GFCCVEGCSA-N 0 0 414.578 3.142 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000020013602 521184577 /nfs/dbraw/zinc/18/45/77/521184577.db2.gz RXIKSCGAFHZDHX-AWEZNQCLSA-N 0 0 410.923 3.237 40 0 HGABRN CCOc1ccccc1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225692232 521471717 /nfs/dbraw/zinc/47/17/17/521471717.db2.gz LKRKZXQOEMIIAG-UHFFFAOYSA-N 0 0 420.556 3.393 40 0 HGABRN CCNC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@H](O)CCc2ccccc2)[C@@H](O)C[C@@H]1O ZINC000045789177 521734304 /nfs/dbraw/zinc/73/43/04/521734304.db2.gz AQOKCDNYWBIDND-RBCTXPQQSA-N 0 0 415.574 3.147 40 0 in-vitro HGABRN CCSc1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000044938719 521779012 /nfs/dbraw/zinc/77/90/12/521779012.db2.gz GOMBRARYPGTTAI-QGZVFWFLSA-N 0 0 406.529 3.273 40 0 HGABRN CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1C ZINC000044856733 522501323 /nfs/dbraw/zinc/50/13/23/522501323.db2.gz ZJTWPAJASUWTOU-RXVVDRJESA-N 0 0 416.543 3.406 40 0 HGABRN CC[C@H](NC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044848376 522506612 /nfs/dbraw/zinc/50/66/12/522506612.db2.gz HGZVEXJTTADSLK-JXFKEZNVSA-N 0 0 404.532 3.426 40 0 HGABRN CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1)c1ccc(C)cc1 ZINC000044935939 522515657 /nfs/dbraw/zinc/51/56/57/522515657.db2.gz YITLKFNCANECAG-FXAWDEMLSA-N 0 0 402.516 3.098 40 0 HGABRN CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)cc1C ZINC000044856731 522516205 /nfs/dbraw/zinc/51/62/05/522516205.db2.gz UOBWZHRRPMKXLZ-FXAWDEMLSA-N 0 0 402.516 3.098 40 0 HGABRN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000020572968 522870256 /nfs/dbraw/zinc/87/02/56/522870256.db2.gz GXXDUYNDEJDOHA-NHVNAMOBSA-N 0 0 411.285 3.213 40 0 HGABRN COCc1ccc(C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000072395600 522945164 /nfs/dbraw/zinc/94/51/64/522945164.db2.gz IHDNVXAIQJSWBX-DLBZAZTESA-N 0 0 423.439 3.265 40 0 HGABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000020047923 523052884 /nfs/dbraw/zinc/05/28/84/523052884.db2.gz ODNKFEBFZQODHN-WIYYLYMNSA-N 0 0 412.486 3.400 40 0 HGABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000000881929 523682010 /nfs/dbraw/zinc/68/20/10/523682010.db2.gz UXJGHPCNZPWWCN-UHFFFAOYSA-N 0 0 405.907 3.312 40 0 HGABRN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4CC)[nH]c(=O)c32)cc1 ZINC000040390437 523988197 /nfs/dbraw/zinc/98/81/97/523988197.db2.gz QLTSFQSGMBTDJL-DLBZAZTESA-N 0 0 423.517 3.166 40 0 HGABRN Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 ZINC000020244315 524208044 /nfs/dbraw/zinc/20/80/44/524208044.db2.gz BXFLHOVNYNNDCQ-IBGZPJMESA-N 0 0 417.575 3.410 40 0 HGABRN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000044905923 524208881 /nfs/dbraw/zinc/20/88/81/524208881.db2.gz MNIZVPDRPREBLV-JXFKEZNVSA-N 0 0 402.516 3.016 40 0 HGABRN COc1ccccc1-c1c2c(ccn(Cc3cccc(F)c3)c2=O)nc2ncnn21 ZINC000040398205 524266182 /nfs/dbraw/zinc/26/61/82/524266182.db2.gz LXLWBJLAHMRNBK-UHFFFAOYSA-N 0 0 401.401 3.302 40 0 HGABRN COc1ccccc1CN(C)C(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000044900935 524429586 /nfs/dbraw/zinc/42/95/86/524429586.db2.gz YAEAVHJSJCAOMM-UHFFFAOYSA-N 0 0 410.923 3.082 40 0 HGABRN Cc1cc(C)n(C[C@@H](C)C(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 ZINC000072327777 524530905 /nfs/dbraw/zinc/53/09/05/524530905.db2.gz MNXHWOZKCJPKTQ-NKNQFRNOSA-N 0 0 424.545 3.157 40 0 HGABRN COc1ccccc1N1C(SCc2ccccc2C)=N[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032641012 524536933 /nfs/dbraw/zinc/53/69/33/524536933.db2.gz YUYTWIRGFKSZFM-AEFFLSMTSA-N 0 0 402.541 3.279 40 0 HGABRN Cc1cc(C)nc(N[C@H](C)C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)n1 ZINC000072399262 524595612 /nfs/dbraw/zinc/59/56/12/524595612.db2.gz ALMAPOVXWJPNKX-OAHLLOKOSA-N 0 0 407.440 3.261 40 0 HGABRN Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC000072356161 524842886 /nfs/dbraw/zinc/84/28/86/524842886.db2.gz SCCZSVNPBOHKQV-GOSISDBHSA-N 0 0 406.461 3.223 40 0 HGABRN Cc1cc(I)cnc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000032125333 525013786 /nfs/dbraw/zinc/01/37/86/525013786.db2.gz JXFZHSUCHCMWKA-UHFFFAOYSA-N 0 0 415.231 3.261 40 0 HGABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)Oc2ccccc21 ZINC000044845191 525188138 /nfs/dbraw/zinc/18/81/38/525188138.db2.gz FMDLSTATELZXLY-CQSZACIVSA-N 0 0 401.271 3.159 40 0 HGABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)c(C)c1 ZINC000040399623 525199414 /nfs/dbraw/zinc/19/94/14/525199414.db2.gz RPICDZQYLAQUGH-OAHLLOKOSA-N 0 0 421.432 3.334 40 0 HGABRN Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 ZINC000040399611 525257796 /nfs/dbraw/zinc/25/77/96/525257796.db2.gz QQYGSLAGMVUJJY-CQSZACIVSA-N 0 0 407.405 3.026 40 0 HGABRN CSc1ccc(S(=O)(=O)NCCCN(C)c2ccccc2)cc1NC(C)=O ZINC000225699344 526053434 /nfs/dbraw/zinc/05/34/34/526053434.db2.gz NSSODJGCHDCECL-UHFFFAOYSA-N 0 0 407.561 3.172 40 0 HGABRN O=C(C1CCC1)N1CCC[C@@H](c2nn(CCOc3ccccc3)c3nccnc23)C1 ZINC000072395902 526294294 /nfs/dbraw/zinc/29/42/94/526294294.db2.gz ODARDDZGAAVARX-GOSISDBHSA-N 0 0 405.502 3.411 40 0 HGABRN O=C(NCc1ccccn1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000044847182 526763679 /nfs/dbraw/zinc/76/36/79/526763679.db2.gz OKPADJKDDBBONZ-UHFFFAOYSA-N 0 0 401.875 3.466 40 0 HGABRN O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349721 526788818 /nfs/dbraw/zinc/78/88/18/526788818.db2.gz RXNOQKBTILIDSE-IBGZPJMESA-N 0 0 413.949 3.364 40 0 HGABRN O=C1CCCN1c1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1 ZINC000020039514 526980857 /nfs/dbraw/zinc/98/08/57/526980857.db2.gz XHDNQBNQMDMFKC-UHFFFAOYSA-N 0 0 408.520 3.164 40 0 HGABRN O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)c1ccco1 ZINC000072321407 527258690 /nfs/dbraw/zinc/25/86/90/527258690.db2.gz QJMCRUMNTLMNQM-DENIHFKCSA-N 0 0 424.428 3.132 40 0 biogenic,in-vitro HGABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020450731 527286246 /nfs/dbraw/zinc/28/62/46/527286246.db2.gz WWJLPYALNNRNIH-UHFFFAOYSA-N 0 0 416.499 3.026 40 0 HGABRN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccc(Cl)cc3)[C@H]2C1 ZINC000032640634 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WNJLVNLQRSSLHY-UHFFFAOYSA-N 0 0 421.501 3.184 40 0 HGABRN Cc1cnc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)cn1 ZINC000019238997 558857704 /nfs/dbraw/zinc/85/77/04/558857704.db2.gz CWTAAJJKBJRGLS-UHFFFAOYSA-N 0 0 402.433 3.280 40 0 HGABRN Cc1cnc(-c2nc3c(c(=O)[nH]2)CCN(Cc2cccc(Cl)c2Cl)C3)cn1 ZINC000019239060 558857780 /nfs/dbraw/zinc/85/77/80/558857780.db2.gz GQCIQCQIEHEKCW-UHFFFAOYSA-N 0 0 402.285 3.400 40 0 HGABRN Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](c3nc(C)n4c(C)csc34)C2)n1 ZINC000019240382 558858896 /nfs/dbraw/zinc/85/88/96/558858896.db2.gz MHMWHZHZKINPRQ-YVEFUNNKSA-N 0 0 400.552 3.263 40 0 HGABRN COc1cccc([C@@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)c1 ZINC000019288438 558861393 /nfs/dbraw/zinc/86/13/93/558861393.db2.gz KICYKQZGTSTBPA-DEOSSOPVSA-N 0 0 413.481 3.428 40 0 HGABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)n1 ZINC000019290190 558862653 /nfs/dbraw/zinc/86/26/53/558862653.db2.gz JWVHYTZPXYHBFE-FXAWDEMLSA-N 0 0 406.534 3.497 40 0 HGABRN 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CCOc1ccc(N([C@@H](CC)C(=O)Nc2cccc(C(C)=O)c2)S(C)(=O)=O)cc1 ZINC000220672578 568508330 /nfs/dbraw/zinc/50/83/30/568508330.db2.gz WGULRJNAKBIYHF-FQEVSTJZSA-N 0 0 418.515 3.471 40 0 HGABRN COC(=O)c1cc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)ccc1Cl ZINC000222434437 568515762 /nfs/dbraw/zinc/51/57/62/568515762.db2.gz FMSTULHJSUOHBT-UHFFFAOYSA-N 0 0 410.879 3.083 40 0 HGABRN Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1N(C)S(C)(=O)=O ZINC000222481645 568516397 /nfs/dbraw/zinc/51/63/97/568516397.db2.gz XWPNBLZJUSMSIS-KRWDZBQOSA-N 0 0 402.516 3.423 40 0 HGABRN COc1ccccc1CCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222500388 568516873 /nfs/dbraw/zinc/51/68/73/568516873.db2.gz NEYWSOTZHODATR-UHFFFAOYSA-N 0 0 410.923 3.107 40 0 HGABRN CCOc1ccccc1CCCNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl ZINC000222501277 568516875 /nfs/dbraw/zinc/51/68/75/568516875.db2.gz FBNHEOATLUGLFQ-UHFFFAOYSA-N 0 0 424.950 3.497 40 0 HGABRN Cc1ccc(OC[C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1 ZINC000222505192 568516985 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CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)cc1 ZINC000222619308 568520985 /nfs/dbraw/zinc/52/09/85/568520985.db2.gz OKBOEWGHRMRLTK-ZDUSSCGKSA-N 0 0 423.282 3.130 40 0 HGABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1NC(C)=O ZINC000222742094 568525216 /nfs/dbraw/zinc/52/52/16/568525216.db2.gz GPPMZUPBXRIQJD-GFCCVEGCSA-N 0 0 422.528 3.178 40 0 HGABRN COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222769038 568525995 /nfs/dbraw/zinc/52/59/95/568525995.db2.gz UOQPAVPIKLELNW-QGZVFWFLSA-N 0 0 402.922 3.453 40 0 HGABRN COCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222769093 568526048 /nfs/dbraw/zinc/52/60/48/568526048.db2.gz UOQPAVPIKLELNW-KRWDZBQOSA-N 0 0 402.922 3.453 40 0 HGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(OC)cc1 ZINC000222780783 568526451 /nfs/dbraw/zinc/52/64/51/568526451.db2.gz BLRIYWMDHLHBHJ-MRXNPFEDSA-N 0 0 416.543 3.100 40 0 HGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1cccc2ccccc21 ZINC000222812660 568527157 /nfs/dbraw/zinc/52/71/57/568527157.db2.gz CGJQMPOTNGDTCF-KRWDZBQOSA-N 0 0 406.482 3.391 40 0 HGABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc(OC)cc1 ZINC000222827930 568527630 /nfs/dbraw/zinc/52/76/30/568527630.db2.gz XKGNZJXJQWFZAH-MRXNPFEDSA-N 0 0 416.543 3.100 40 0 HGABRN C[C@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222845678 568528190 /nfs/dbraw/zinc/52/81/90/568528190.db2.gz FPFKWSUOKGYKPM-OAHLLOKOSA-N 0 0 423.340 3.452 40 0 HGABRN COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000222867102 568528953 /nfs/dbraw/zinc/52/89/53/568528953.db2.gz XSOZXYNZIDRVIA-UHFFFAOYSA-N 0 0 418.559 3.363 40 0 HGABRN CC[C@@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(OC)c(C)c1 ZINC000222890365 568529708 /nfs/dbraw/zinc/52/97/08/568529708.db2.gz ONZDHGKLCVXFOU-LJQANCHMSA-N 0 0 420.531 3.046 40 0 HGABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc2sncc2c1 ZINC000222897176 568529999 /nfs/dbraw/zinc/52/99/99/568529999.db2.gz HYRZYGAGTIWBBG-UHFFFAOYSA-N 0 0 401.513 3.308 40 0 HGABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222912632 568530572 /nfs/dbraw/zinc/53/05/72/568530572.db2.gz XRVBNYXFDLMXSF-ZIAGYGMSSA-N 0 0 410.923 3.381 40 0 HGABRN CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 ZINC000222929971 568531289 /nfs/dbraw/zinc/53/12/89/568531289.db2.gz RIFRLRFDCHJQDQ-GOSISDBHSA-N 0 0 416.493 3.165 40 0 HGABRN CSc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1NC(C)=O ZINC000222965055 568532577 /nfs/dbraw/zinc/53/25/77/568532577.db2.gz PSODVWYDEWIVTA-UHFFFAOYSA-N 0 0 416.528 3.031 40 0 HGABRN COc1ccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000223001561 568533873 /nfs/dbraw/zinc/53/38/73/568533873.db2.gz INAIUROIKBINRR-GOSISDBHSA-N 0 0 422.481 3.401 40 0 HGABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 ZINC000223021582 568534421 /nfs/dbraw/zinc/53/44/21/568534421.db2.gz JHKUWMHQNWRDQV-SFTDATJTSA-N 0 0 408.527 3.500 40 0 HGABRN CC1(C)C[C@@H](NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c2ccccc2O1 ZINC000223054871 568535878 /nfs/dbraw/zinc/53/58/78/568535878.db2.gz DNKKUBMSBDZYGJ-GOSISDBHSA-N 0 0 420.506 3.006 40 0 HGABRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C ZINC000223053789 568535891 /nfs/dbraw/zinc/53/58/91/568535891.db2.gz BTTIVDKBCMTQGC-UHFFFAOYSA-N 0 0 408.907 3.415 40 0 HGABRN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)ccc21 ZINC000223066390 568536407 /nfs/dbraw/zinc/53/64/07/568536407.db2.gz GZLUAXAOGTZCEX-UHFFFAOYSA-N 0 0 414.462 3.180 40 0 HGABRN CCCN1c2ccc(C(=O)NCCc3ccc(OC)cc3)cc2S(=O)(=O)N=C1C ZINC000223110753 568537849 /nfs/dbraw/zinc/53/78/49/568537849.db2.gz LKAQOHBRUFKDLI-UHFFFAOYSA-N 0 0 415.515 3.005 40 0 HGABRN COCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O ZINC000223119083 568538298 /nfs/dbraw/zinc/53/82/98/568538298.db2.gz OPUSQIAFRIFJJS-NRFANRHFSA-N 0 0 402.922 3.453 40 0 HGABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCO ZINC000223130953 568538788 /nfs/dbraw/zinc/53/87/88/568538788.db2.gz LMBBKSVUHUYFLS-HXUWFJFHSA-N 0 0 402.922 3.044 40 0 HGABRN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000223144692 568539352 /nfs/dbraw/zinc/53/93/52/568539352.db2.gz CJBOVHLMLYFMAY-JKSUJKDBSA-N 0 0 404.532 3.290 40 0 HGABRN C[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223167037 568539840 /nfs/dbraw/zinc/53/98/40/568539840.db2.gz VTLPYSFXITVLRY-CQSZACIVSA-N 0 0 406.935 3.472 40 0 HGABRN Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 ZINC000223168079 568539981 /nfs/dbraw/zinc/53/99/81/568539981.db2.gz ZJWCHUVMAFWNGV-ZWKOTPCHSA-N 0 0 402.589 3.146 40 0 HGABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223194883 568540814 /nfs/dbraw/zinc/54/08/14/568540814.db2.gz CNOLLPDZNFXUIT-FCHUYYIVSA-N 0 0 412.505 3.471 40 0 HGABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000223195003 568540835 /nfs/dbraw/zinc/54/08/35/568540835.db2.gz CNOLLPDZNFXUIT-FGZHOGPDSA-N 0 0 412.505 3.471 40 0 HGABRN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 ZINC000223230263 568541757 /nfs/dbraw/zinc/54/17/57/568541757.db2.gz QXIAKKIQELEEBM-AWEZNQCLSA-N 0 0 406.935 3.327 40 0 HGABRN C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000223230533 568541871 /nfs/dbraw/zinc/54/18/71/568541871.db2.gz KKWFGZJXQOUDRL-KRWDZBQOSA-N 0 0 400.544 3.453 40 0 HGABRN CSc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118658 568542054 /nfs/dbraw/zinc/54/20/54/568542054.db2.gz XMONPUAARUJQOU-UHFFFAOYSA-N 0 0 419.572 3.154 40 0 HGABRN Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cc1 ZINC000223253338 568542695 /nfs/dbraw/zinc/54/26/95/568542695.db2.gz FNOBJOPZRYIJAH-KRWDZBQOSA-N 0 0 400.544 3.123 40 0 HGABRN CC(C)CSc1nnc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)s1 ZINC000223308097 568544733 /nfs/dbraw/zinc/54/47/33/568544733.db2.gz LGBZYGLCSZIQOO-LBPRGKRZSA-N 0 0 414.578 3.079 40 0 HGABRN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000223317878 568544965 /nfs/dbraw/zinc/54/49/65/568544965.db2.gz UATPKCDHQKUAMD-UHFFFAOYSA-N 0 0 401.213 3.132 40 0 HGABRN CCn1c2cc(Cl)c(S(=O)(=O)NCc3ccccc3Cl)cc2oc1=O ZINC000223360379 568546485 /nfs/dbraw/zinc/54/64/85/568546485.db2.gz PDJVPJUGWSANBH-UHFFFAOYSA-N 0 0 401.271 3.400 40 0 HGABRN Cc1ccc([C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C ZINC000026417048 568547701 /nfs/dbraw/zinc/54/77/01/568547701.db2.gz ZVOJXXWTCOQSDR-SFHVURJKSA-N 0 0 416.543 3.142 40 0 HGABRN COC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223417007 568548284 /nfs/dbraw/zinc/54/82/84/568548284.db2.gz YIVKCKNFZYWDFC-GFCCVEGCSA-N 0 0 412.895 3.374 40 0 HGABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223417107 568548300 /nfs/dbraw/zinc/54/83/00/568548300.db2.gz ORRYRLSADVXQBB-LJQANCHMSA-N 0 0 404.894 3.281 40 0 HGABRN Cc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000223437819 568548931 /nfs/dbraw/zinc/54/89/31/568548931.db2.gz DXQXLCYMPJMRJB-UHFFFAOYSA-N 0 0 416.528 3.228 40 0 HGABRN Cc1ccc2c(c1)O[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)CN2S(C)(=O)=O ZINC000223468003 568549766 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424.526 3.475 40 0 HGABRN Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cc(C)ccc3C)cn2)cc1 ZINC000223381726 568547047 /nfs/dbraw/zinc/54/70/47/568547047.db2.gz OEFVIRPCBIADTR-UHFFFAOYSA-N 0 0 424.526 3.475 40 0 HGABRN CCc1ccc(NC(=O)c2cnc(CN(C)S(=O)(=O)c3ccc(C)cc3)nc2)cc1 ZINC000223382216 568547170 /nfs/dbraw/zinc/54/71/70/568547170.db2.gz YGBPLJCPXQUBGW-UHFFFAOYSA-N 0 0 424.526 3.420 40 0 HGABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1Cl ZINC000223403958 568547662 /nfs/dbraw/zinc/54/76/62/568547662.db2.gz JTVBHOBOSBHFBU-GOSISDBHSA-N 0 0 404.894 3.281 40 0 HGABRN CC(C)OC(=O)c1ccc(NCCO)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223424762 568548635 /nfs/dbraw/zinc/54/86/35/568548635.db2.gz SKRCVKQVLXSBTI-UHFFFAOYSA-N 0 0 412.895 3.110 40 0 HGABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1 ZINC000223488722 568550339 /nfs/dbraw/zinc/55/03/39/568550339.db2.gz DSSQJWLLWKDKFM-JOCHJYFZSA-N 0 0 412.530 3.450 40 0 HGABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1OC ZINC000223582466 568552278 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Cn1c2ccc(S(=O)(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2sc1=O ZINC000223662414 568555389 /nfs/dbraw/zinc/55/53/89/568555389.db2.gz YROBTNIAJAJAKE-UHFFFAOYSA-N 0 0 420.556 3.255 40 0 HGABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000223661601 568555398 /nfs/dbraw/zinc/55/53/98/568555398.db2.gz FMOUTBOPARBGRK-LEWJYISDSA-N 0 0 406.511 3.408 40 0 HGABRN CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000223667416 568555502 /nfs/dbraw/zinc/55/55/02/568555502.db2.gz MHSNIGHGFIMANW-UHFFFAOYSA-N 0 0 422.522 3.084 40 0 HGABRN CCc1ccc(OCCNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000223679463 568555928 /nfs/dbraw/zinc/55/59/28/568555928.db2.gz COQHEEFOLUFBFV-UHFFFAOYSA-N 0 0 424.950 3.172 40 0 HGABRN COc1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)cc1Cl ZINC000223685145 568556220 /nfs/dbraw/zinc/55/62/20/568556220.db2.gz KFALZVVBSUIXSA-UHFFFAOYSA-N 0 0 404.960 3.446 40 0 HGABRN Cc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)ccc1NS(C)(=O)=O ZINC000223696447 568556406 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CCCSc1nnc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)s1 ZINC000223860866 568561140 /nfs/dbraw/zinc/56/11/40/568561140.db2.gz LWRSCURDQNUTGE-UHFFFAOYSA-N 0 0 420.969 3.098 40 0 HGABRN COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1C ZINC000223859643 568561239 /nfs/dbraw/zinc/56/12/39/568561239.db2.gz KFFSRTGBJUIBEE-UHFFFAOYSA-N 0 0 422.934 3.254 40 0 HGABRN CCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000223897904 568562329 /nfs/dbraw/zinc/56/23/29/568562329.db2.gz QYWIDDRGHIGPEJ-OAHLLOKOSA-N 0 0 424.950 3.252 40 0 HGABRN Cc1cc(C)cc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000223895077 568562410 /nfs/dbraw/zinc/56/24/10/568562410.db2.gz PBXSXSCAGJZESY-IBGZPJMESA-N 0 0 418.559 3.270 40 0 HGABRN S=C(NCc1cccnc1)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 ZINC000223940468 568563717 /nfs/dbraw/zinc/56/37/17/568563717.db2.gz SISFOELOVIFCEJ-UHFFFAOYSA-N 0 0 404.543 3.290 40 0 HGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1 ZINC000223966583 568564829 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DYEFDCBAYYMXKD-KBPBESRZSA-N 0 0 422.934 3.481 40 0 HGABRN Cc1cccc(N(C)CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1 ZINC000019719854 558258423 /nfs/dbraw/zinc/25/84/23/558258423.db2.gz GYMUHZWZBYOZGB-UHFFFAOYSA-N 0 0 401.532 3.172 40 0 HGABRN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCCc2ccccc21 ZINC000004327552 558259371 /nfs/dbraw/zinc/25/93/71/558259371.db2.gz MWYPRMJLQLGOFD-UHFFFAOYSA-N 0 0 402.483 3.258 40 0 HGABRN COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)NC(C)C ZINC000011370951 558263865 /nfs/dbraw/zinc/26/38/65/558263865.db2.gz OTSNRXARWHZPAL-UHFFFAOYSA-N 0 0 402.394 3.052 40 0 HGABRN Cc1nc(N)c2ccc([C@@H]3CCCN(CC(=O)N4CCCc5ccccc54)C3)nc2n1 ZINC000019743312 558263847 /nfs/dbraw/zinc/26/38/47/558263847.db2.gz JUGHZDNJINGKTA-GOSISDBHSA-N 0 0 416.529 3.074 40 0 HGABRN CC1CCN(C(=O)CN2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 ZINC000019743400 558264031 /nfs/dbraw/zinc/26/40/31/558264031.db2.gz GXNJCNLCCAUALR-OAHLLOKOSA-N 0 0 424.471 3.344 40 0 HGABRN COc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3c[nH]nc3C)CC2)c1 ZINC000019746640 558266716 /nfs/dbraw/zinc/26/67/16/558266716.db2.gz SDTKUQHFEZSQRQ-OAQYLSRUSA-N 0 0 410.518 3.274 40 0 HGABRN O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000019748013 558267123 /nfs/dbraw/zinc/26/71/23/558267123.db2.gz AGMPJEBEWHULKN-OAHLLOKOSA-N 0 0 421.419 3.057 40 0 HGABRN Cc1cc(C)nc(N2CCC(CC(=O)N3CCN(C)C[C@@H]3c3ccccc3)CC2)n1 ZINC000019748189 558267449 /nfs/dbraw/zinc/26/74/49/558267449.db2.gz AJXMFWFHBUUVQK-JOCHJYFZSA-N 0 0 407.562 3.215 40 0 HGABRN CCn1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1 ZINC000019749417 558268838 /nfs/dbraw/zinc/26/88/38/558268838.db2.gz LQKIYOSQWOHFFJ-CQSZACIVSA-N 0 0 423.439 3.050 40 0 HGABRN O=C(Cn1cc(C(=O)NCC2(c3ccccc3)CCCC2)ccc1=O)NC1CCCC1 ZINC000019750967 558271047 /nfs/dbraw/zinc/27/10/47/558271047.db2.gz VTRQCNKYUJLSKP-UHFFFAOYSA-N 0 0 421.541 3.149 40 0 HGABRN Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)cc1C ZINC000019751154 558271276 /nfs/dbraw/zinc/27/12/76/558271276.db2.gz XYBBPSGSLNBJFE-QFIPXVFZSA-N 0 0 421.541 3.455 40 0 HGABRN Cc1ccc([C@H]2CCCN2C(=O)c2ccc(=O)n(CC(=O)N3CCCCC3)c2)cc1C ZINC000019751156 558271328 /nfs/dbraw/zinc/27/13/28/558271328.db2.gz XYBBPSGSLNBJFE-JOCHJYFZSA-N 0 0 421.541 3.455 40 0 HGABRN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cc[nH]n2)nc1C ZINC000019753476 558272808 /nfs/dbraw/zinc/27/28/08/558272808.db2.gz UUHLVCFIGFPUSA-SFHVURJKSA-N 0 0 420.473 3.136 40 0 HGABRN Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000019754264 558273575 /nfs/dbraw/zinc/27/35/75/558273575.db2.gz RTLIVUFBDSNRIP-UHFFFAOYSA-N 0 0 421.476 3.301 40 0 HGABRN COc1c(C)cccc1CN(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019760335 558276190 /nfs/dbraw/zinc/27/61/90/558276190.db2.gz REBFBYQWKXKTBG-FQEVSTJZSA-N 0 0 411.550 3.175 40 0 HGABRN CNC(=O)c1cc([C@H]2CCN(C(=O)Cc3cc(C)ccc3OC)C2)nc2ccccc21 ZINC000019761543 558276670 /nfs/dbraw/zinc/27/66/70/558276670.db2.gz TXWXIVJJTHBQGY-KRWDZBQOSA-N 0 0 417.509 3.470 40 0 HGABRN COc1cc([C@@H]2CC(=O)c3cn4nc(C(F)(F)F)nc4nc3C2)cc(OC)c1OC ZINC000019816605 558287492 /nfs/dbraw/zinc/28/74/92/558287492.db2.gz PNJXZYCMGHSQJK-VIFPVBQESA-N 0 0 422.363 3.082 40 0 HGABRN Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000019819995 558290330 /nfs/dbraw/zinc/29/03/30/558290330.db2.gz LNTCNFKDGIKNDW-JTQLQIEISA-N 0 0 421.288 3.030 40 0 HGABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000019868352 558299383 /nfs/dbraw/zinc/29/93/83/558299383.db2.gz MBHKQEIKCNJZJO-WDYCEAGBSA-N 0 0 410.967 3.187 40 0 HGABRN C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000019930748 558310109 /nfs/dbraw/zinc/31/01/09/558310109.db2.gz CVVWDVXXLCYWTM-KRWDZBQOSA-N 0 0 400.544 3.197 40 0 HGABRN COc1ccc([C@H](CC(=O)NC(C)(C)C)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935769 558311978 /nfs/dbraw/zinc/31/19/78/558311978.db2.gz GVJMEWVNWMTGTQ-IBGZPJMESA-N 0 0 404.532 3.362 40 0 HGABRN COc1ccc([C@H](CC(=O)N2CCCC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936135 558312022 /nfs/dbraw/zinc/31/20/22/558312022.db2.gz WKNQNRHQLWPVLF-FQEVSTJZSA-N 0 0 402.516 3.070 40 0 HGABRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cnc(N4CCCCC4)nc2C[C@H]31 ZINC000019960761 558315586 /nfs/dbraw/zinc/31/55/86/558315586.db2.gz IDLDYDJXXUHQBI-HXUWFJFHSA-N 0 0 403.486 3.253 40 0 HGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1Cl ZINC000020016277 558320234 /nfs/dbraw/zinc/32/02/34/558320234.db2.gz KSVKOFIXOIFTMM-LBPRGKRZSA-N 0 0 414.886 3.492 40 0 HGABRN COc1ccc(-c2cc3nc([C@@H](C)NC(=O)Cc4ccccc4OC)nn3cn2)cc1 ZINC000012085077 558320989 /nfs/dbraw/zinc/32/09/89/558320989.db2.gz LNIVDEUOSDZONW-OAHLLOKOSA-N 0 0 417.469 3.228 40 0 HGABRN CCc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2nnc(-c3cccnc3)[nH]2)C1 ZINC000012087317 558322122 /nfs/dbraw/zinc/32/21/22/558322122.db2.gz ZUELJVSLZUWBJH-KRWDZBQOSA-N 0 0 415.501 3.185 40 0 HGABRN O=C(CCn1nnc2ccccc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012088537 558322776 /nfs/dbraw/zinc/32/27/76/558322776.db2.gz RWOZXZVPLNICPX-SFHVURJKSA-N 0 0 413.485 3.080 40 0 HGABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012088532 558322919 /nfs/dbraw/zinc/32/29/19/558322919.db2.gz RUUZKNNPPDHUQI-GOSISDBHSA-N 0 0 402.454 3.330 40 0 HGABRN CCN(c1ccc(OCC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1)S(C)(=O)=O ZINC000020030552 558324406 /nfs/dbraw/zinc/32/44/06/558324406.db2.gz CJDKLTJTEBIVBH-HNNXBMFYSA-N 0 0 422.572 3.451 40 0 HGABRN COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1N1CCCC1=O ZINC000020041192 558325963 /nfs/dbraw/zinc/32/59/63/558325963.db2.gz OWOYNWZXSQMQMF-UHFFFAOYSA-N 0 0 404.532 3.069 40 0 HGABRN COc1ccc(C2=NN(CC(=O)N3CCCC3)C(=O)c3cc4ccccc4n3C2)cc1 ZINC000012113616 558327023 /nfs/dbraw/zinc/32/70/23/558327023.db2.gz KTLKDTIJAZDKMH-UHFFFAOYSA-N 0 0 416.481 3.132 40 0 HGABRN Cc1ccc(C2=NN(CC(=O)N3CCCC3)C(=O)c3cc4ccccc4n3C2)cc1 ZINC000012113615 558327168 /nfs/dbraw/zinc/32/71/68/558327168.db2.gz VAMKHLDNAWMGRO-UHFFFAOYSA-N 0 0 400.482 3.432 40 0 HGABRN CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020050437 558328535 /nfs/dbraw/zinc/32/85/35/558328535.db2.gz STTJXENKXUAXLI-SFHVURJKSA-N 0 0 408.495 3.085 40 0 HGABRN Cc1cc2c(o1)c1cnn(CC(=O)N(Cc3cccnc3)C3CC3)c(=O)c1n2C(C)C ZINC000012117746 558329173 /nfs/dbraw/zinc/32/91/73/558329173.db2.gz IEBLUJBWLMWLFG-UHFFFAOYSA-N 0 0 419.485 3.420 40 0 HGABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 ZINC000012118475 558329864 /nfs/dbraw/zinc/32/98/64/558329864.db2.gz FSTOFOSZYIPBKF-MRXNPFEDSA-N 0 0 411.531 3.306 40 0 HGABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(C)cc1C)=C2C ZINC000020063933 558330165 /nfs/dbraw/zinc/33/01/65/558330165.db2.gz XBODTSLAMJEOHQ-UHFFFAOYSA-N 0 0 416.499 3.470 40 0 HGABRN CCSc1ccccc1NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000020106415 558333454 /nfs/dbraw/zinc/33/34/54/558333454.db2.gz WDQBZSWJFSHMSD-UHFFFAOYSA-N 0 0 400.472 3.482 40 0 HGABRN COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CNC(=O)c2cc(C)oc2C)cc1 ZINC000012145709 558337145 /nfs/dbraw/zinc/33/71/45/558337145.db2.gz MYJIOHWBSWSMBI-FQEVSTJZSA-N 0 0 422.485 3.014 40 0 HGABRN O=C(NC1CCCCC1)[C@@H]1C=CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000012146325 558337636 /nfs/dbraw/zinc/33/76/36/558337636.db2.gz BVMYGDZBNVIDGZ-INIZCTEOSA-N 0 0 402.438 3.083 40 0 HGABRN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012158274 558340933 /nfs/dbraw/zinc/34/09/33/558340933.db2.gz BJOLJKZHNKRYLP-MRXNPFEDSA-N 0 0 411.531 3.108 40 0 HGABRN CN(CCc1cn[nH]c1)c1ncc(-c2ccc3c(c2)OCO3)c(-c2nccs2)n1 ZINC000012186447 558345750 /nfs/dbraw/zinc/34/57/50/558345750.db2.gz QEQFPBONRXRMKL-UHFFFAOYSA-N 0 0 406.471 3.398 40 0 HGABRN Cc1cc(OCC(=O)N2CCC[C@H](c3noc(-c4cnccn4)n3)C2)ccc1Cl ZINC000012187681 558346631 /nfs/dbraw/zinc/34/66/31/558346631.db2.gz RIOBYZFSGXAPMF-AWEZNQCLSA-N 0 0 413.865 3.273 40 0 HGABRN Cc1ccc(C)c(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)N(C)C)c1 ZINC000020244807 558350966 /nfs/dbraw/zinc/35/09/66/558350966.db2.gz WKCHRVBPKDZYTD-UHFFFAOYSA-N 0 0 403.548 3.480 40 0 HGABRN CCS(=O)(=O)N1CCC[C@@H]1Cn1c2ccc(C)cc2c(=O)cc1C(F)(F)F ZINC000012222220 558356087 /nfs/dbraw/zinc/35/60/87/558356087.db2.gz XJMWJARCVMAJHD-CYBMUJFWSA-N 0 0 402.438 3.143 40 0 HGABRN Cc1cc2nc(C3CCN(C(=O)CCn4ccnc4)CC3)cc(C(F)(F)F)n2n1 ZINC000012221541 558356150 /nfs/dbraw/zinc/35/61/50/558356150.db2.gz ILPNVXHHORCEFV-UHFFFAOYSA-N 0 0 406.412 3.049 40 0 HGABRN COc1ccc(S(=O)(=O)CC(=O)N[C@@H](Cc2ccsc2)c2nccs2)cc1 ZINC000012227041 558357139 /nfs/dbraw/zinc/35/71/39/558357139.db2.gz JJQNCAYQFZVCMK-INIZCTEOSA-N 0 0 422.553 3.087 40 0 HGABRN O=C(C1CCCC1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 ZINC000012235464 558358501 /nfs/dbraw/zinc/35/85/01/558358501.db2.gz VUHITSQXXYFGBQ-UHFFFAOYSA-N 0 0 411.955 3.026 40 0 HGABRN COc1ccc(OCC(=O)N[C@@H](c2nc3c4c(C)c(C)oc4ncn3n2)C(C)C)cc1 ZINC000012236136 558358774 /nfs/dbraw/zinc/35/87/74/558358774.db2.gz MHFYWDPTBQZTJS-LJQANCHMSA-N 0 0 423.473 3.388 40 0 HGABRN COc1ccccc1OC[C@@H](O)CNc1c(C)c(C)nc2cc(-c3ccco3)nn21 ZINC000012251557 558362161 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MABLQCKCVIJMOL-HSZRJFAPSA-N 0 0 404.514 3.483 40 0 HGABRN COc1ccc(C)cc1N1C[C@H](C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)CC1=O ZINC000019715170 558975684 /nfs/dbraw/zinc/97/56/84/558975684.db2.gz HSRSIMLVAINRRI-QGZVFWFLSA-N 0 0 420.513 3.209 40 0 HGABRN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1nnc([C@@H](C)Oc2ccccc2)s1 ZINC000019715248 558975918 /nfs/dbraw/zinc/97/59/18/558975918.db2.gz RRMVBHILUOZHQX-CYBMUJFWSA-N 0 0 421.482 3.335 40 0 HGABRN CCOc1cccc2sc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)nc21 ZINC000019715355 558976358 /nfs/dbraw/zinc/97/63/58/558976358.db2.gz UBBSWOFHAWBYFF-UHFFFAOYSA-N 0 0 416.503 3.134 40 0 HGABRN Cc1noc2nc(C)cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCC4)c3)c12 ZINC000019715830 558977397 /nfs/dbraw/zinc/97/73/97/558977397.db2.gz ZVGCOHFKKNNWHO-UHFFFAOYSA-N 0 0 414.487 3.185 40 0 HGABRN Cc1cn2c(ncc(C(=O)Nc3nnc([C@H](C)Oc4ccccc4)s3)c2=O)s1 ZINC000019717147 558979515 /nfs/dbraw/zinc/97/95/15/558979515.db2.gz FEGNBAGFZLBFOA-NSHDSACASA-N 0 0 413.484 3.308 40 0 HGABRN Cc1ccccc1OC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000065720982 558980621 /nfs/dbraw/zinc/98/06/21/558980621.db2.gz VLEDTPWRAUEXKV-DLBZAZTESA-N 0 0 422.572 3.041 40 0 HGABRN Cc1c(-c2ccnc3cc(C(=O)NCC(C)(C)c4ccc(F)cc4)nn32)cnn1C ZINC000019719022 558982679 /nfs/dbraw/zinc/98/26/79/558982679.db2.gz HFJRBSGHJSIYFZ-UHFFFAOYSA-N 0 0 406.465 3.285 40 0 HGABRN O=C(C[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2ccnn21)NCc1cccs1 ZINC000585095896 559023338 /nfs/dbraw/zinc/02/33/38/559023338.db2.gz SUAGBMCFFBJZOT-KRWDZBQOSA-N 0 0 419.510 3.330 40 0 HGABRN Cc1c2ccccc2oc1C(=O)N1Cc2ccnn2[C@H](CC(=O)NCc2ccco2)C1 ZINC000585095837 559023367 /nfs/dbraw/zinc/02/33/67/559023367.db2.gz OQPOFLFMSAIHBM-QGZVFWFLSA-N 0 0 418.453 3.434 40 0 HGABRN C[C@@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 ZINC000585098778 559024384 /nfs/dbraw/zinc/02/43/84/559024384.db2.gz ZZTUCGAEABZLSM-OAHLLOKOSA-N 0 0 405.502 3.183 40 0 HGABRN COCc1cccc(-c2cnc3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)c1 ZINC000585111076 559031574 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558329664 /nfs/dbraw/zinc/32/96/64/558329664.db2.gz RDZUUGJBBKXUHR-HNNXBMFYSA-N 0 0 410.470 3.364 40 0 HGABRN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000012118683 558329858 /nfs/dbraw/zinc/32/98/58/558329858.db2.gz WSRGMPBJBRENAY-NRFANRHFSA-N 0 0 413.481 3.119 40 0 HGABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1ccc(C)cc1)=C2C ZINC000020063932 558330172 /nfs/dbraw/zinc/33/01/72/558330172.db2.gz RMSNOKVGWMFFLB-UHFFFAOYSA-N 0 0 402.472 3.162 40 0 HGABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2ccnc(-c3cccnc3)n2)C1 ZINC000012119317 558330310 /nfs/dbraw/zinc/33/03/10/558330310.db2.gz RAVTXRWFGSHOOU-SFHVURJKSA-N 0 0 402.454 3.330 40 0 HGABRN CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020108316 558334298 /nfs/dbraw/zinc/33/42/98/558334298.db2.gz RNLIDEJBKYSSRX-KRWDZBQOSA-N 0 0 404.532 3.173 40 0 HGABRN COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C(C)(C)C)CC3)n2)cc1OC ZINC000012142686 558335020 /nfs/dbraw/zinc/33/50/20/558335020.db2.gz GPRLAXYHUYWLFM-UHFFFAOYSA-N 0 0 413.518 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558344748 /nfs/dbraw/zinc/34/47/48/558344748.db2.gz PXZDPIRQQQGJMQ-KRWDZBQOSA-N 0 0 410.905 3.462 40 0 HGABRN Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1F)CCN(Cc1ccccc1)C2 ZINC000012186300 558345416 /nfs/dbraw/zinc/34/54/16/558345416.db2.gz PAOWFIJAFVSFFP-UHFFFAOYSA-N 0 0 424.451 3.027 40 0 HGABRN COc1ccc2cnc(C3CCN(CC(=O)Cn4nc(C)nc4C)CC3)cc2c1C ZINC000012188162 558347076 /nfs/dbraw/zinc/34/70/76/558347076.db2.gz INUKGNRYOKEDTH-UHFFFAOYSA-N 0 0 407.518 3.209 40 0 HGABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020245556 558351408 /nfs/dbraw/zinc/35/14/08/558351408.db2.gz JFYQYOWWMZFGCP-UHFFFAOYSA-N 0 0 401.410 3.200 40 0 HGABRN CC(C)[C@H](CO)NC(=O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 ZINC000012220107 558355202 /nfs/dbraw/zinc/35/52/02/558355202.db2.gz DCBCUKZQRPENFM-IBGZPJMESA-N 0 0 408.445 3.092 40 0 HGABRN COc1ccc(C(C)C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N(C)C ZINC000012220480 558355446 /nfs/dbraw/zinc/35/54/46/558355446.db2.gz AMDVNNHQBNXYKM-KRWDZBQOSA-N 0 0 420.531 3.129 40 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ZINC000021598499 558442891 /nfs/dbraw/zinc/44/28/91/558442891.db2.gz HQGKLFKXVMSKOV-HUUCEWRRSA-N 0 0 408.545 3.035 40 0 HGABRN COc1nc2cc(C)ccc2cc1CN1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1 ZINC000012666362 558445142 /nfs/dbraw/zinc/44/51/42/558445142.db2.gz ALHZHDAQEHLSDI-UHFFFAOYSA-N 0 0 413.481 3.255 40 0 HGABRN COc1ccccc1OCCNCc1nc(-c2ccc(-c3ccncn3)cc2)no1 ZINC000012729324 558457221 /nfs/dbraw/zinc/45/72/21/558457221.db2.gz MBYJUKWBTKXXPB-UHFFFAOYSA-N 0 0 403.442 3.371 40 0 HGABRN COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000022227028 558467191 /nfs/dbraw/zinc/46/71/91/558467191.db2.gz JCIVSQDRYWJBHK-UHFFFAOYSA-N 0 0 416.543 3.279 40 0 HGABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000022227297 558467396 /nfs/dbraw/zinc/46/73/96/558467396.db2.gz LKODRAGUAGOEFB-UHFFFAOYSA-N 0 0 414.449 3.365 40 0 HGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2C)c1 ZINC000022229728 558468403 /nfs/dbraw/zinc/46/84/03/558468403.db2.gz FQUQQAYNJJGQHM-IBGZPJMESA-N 0 0 402.516 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CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1OC ZINC000016807420 558807640 /nfs/dbraw/zinc/80/76/40/558807640.db2.gz ILFQSVHTVUQWFV-ZLINDNQKSA-N 0 0 405.479 3.276 40 0 HGABRN COc1ccccc1[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016962849 558810515 /nfs/dbraw/zinc/81/05/15/558810515.db2.gz SRHRXQCTEJCUIE-QGZVFWFLSA-N 0 0 416.543 3.290 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000038755403 558814415 /nfs/dbraw/zinc/81/44/15/558814415.db2.gz VUOQMPWEVKCBBP-HNNXBMFYSA-N 0 0 420.506 3.500 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000038755404 558814593 /nfs/dbraw/zinc/81/45/93/558814593.db2.gz VUOQMPWEVKCBBP-OAHLLOKOSA-N 0 0 420.506 3.500 40 0 HGABRN O=C1C[C@@H](c2ccccc2O)Cc2c1cnc1nc(NCc3ccco3)[nH]c(=O)c12 ZINC000038829529 558816263 /nfs/dbraw/zinc/81/62/63/558816263.db2.gz XLYKLTCGETYAQM-LBPRGKRZSA-N 0 0 402.410 3.142 40 0 HGABRN CN(Cc1ccccc1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038832926 558817077 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CCc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cc1 ZINC000022361665 558483071 /nfs/dbraw/zinc/48/30/71/558483071.db2.gz ACJPVYMLRNTWBZ-LJQANCHMSA-N 0 0 416.543 3.434 40 0 HGABRN Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022374147 558484341 /nfs/dbraw/zinc/48/43/41/558484341.db2.gz HLTJQYMACBNENC-UHFFFAOYSA-N 0 0 418.559 3.254 40 0 HGABRN COc1ccc([C@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022397424 558486763 /nfs/dbraw/zinc/48/67/63/558486763.db2.gz RQWVSUROFYRQLG-KRWDZBQOSA-N 0 0 404.532 3.264 40 0 HGABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022425823 558488836 /nfs/dbraw/zinc/48/88/36/558488836.db2.gz GYUOWOKOKBRJST-IBGZPJMESA-N 0 0 418.559 3.270 40 0 HGABRN CN(C(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)C1CCCC1 ZINC000022510523 558492872 /nfs/dbraw/zinc/49/28/72/558492872.db2.gz RBXSGGLNBZTTSG-UHFFFAOYSA-N 0 0 416.946 3.422 40 0 HGABRN O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000022523435 558495228 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/nfs/dbraw/zinc/96/24/61/558962461.db2.gz AWUUOQXNYLWNPX-MRXNPFEDSA-N 0 0 406.490 3.302 40 0 HGABRN CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 ZINC000019694263 558962522 /nfs/dbraw/zinc/96/25/22/558962522.db2.gz MXXKICQDENLQKF-QGZVFWFLSA-N 0 0 420.492 3.346 40 0 HGABRN NC(=O)c1[nH]c([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1-c1ccccc1 ZINC000019698918 558966402 /nfs/dbraw/zinc/96/64/02/558966402.db2.gz RTPNRUXMQMWSSR-KRWDZBQOSA-N 0 0 406.461 3.263 40 0 HGABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377931 558967188 /nfs/dbraw/zinc/96/71/88/558967188.db2.gz VNWUYGSCMYQTDA-IBGZPJMESA-N 0 0 404.474 3.315 40 0 HGABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC(C)(C)C)CCO1 ZINC000072389075 558969565 /nfs/dbraw/zinc/96/95/65/558969565.db2.gz SDBQJWPVFUHMKE-VWLOTQADSA-N 0 0 423.557 3.413 40 0 HGABRN Cc1nc(CC(=O)N2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)cn2)cs1 ZINC000019708182 558970392 /nfs/dbraw/zinc/97/03/92/558970392.db2.gz RBWOMFPTSZTTSO-INIZCTEOSA-N 0 0 413.528 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559095773 /nfs/dbraw/zinc/09/57/73/559095773.db2.gz JQAQPUGVQAJFLA-NRFANRHFSA-N 0 0 405.564 3.290 40 0 HGABRN CC(C)n1c2cc(C(=O)NCCc3ccncc3)n(S(C)(=O)=O)c2c2ccccc21 ZINC000096146385 559097881 /nfs/dbraw/zinc/09/78/81/559097881.db2.gz LFKPALGEYJBVKH-UHFFFAOYSA-N 0 0 424.526 3.352 40 0 HGABRN CC[C@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc32)s1 ZINC000096154642 559099132 /nfs/dbraw/zinc/09/91/32/559099132.db2.gz PNEMSVUAGIQBMG-CYBMUJFWSA-N 0 0 400.504 3.442 40 0 HGABRN O=C(NC[C@H]1CCCO1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 ZINC000096155000 559099240 /nfs/dbraw/zinc/09/92/40/559099240.db2.gz RWXKQPLNKCOYFX-GOSISDBHSA-N 0 0 401.470 3.155 40 0 HGABRN CCc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000096227267 559102604 /nfs/dbraw/zinc/10/26/04/559102604.db2.gz QZQJKKDRPXXYTJ-TZIWHRDSSA-N 0 0 402.491 3.428 40 0 HGABRN COc1cccc(OCC(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000096247948 559105154 /nfs/dbraw/zinc/10/51/54/559105154.db2.gz IBSDZNFAOGFRQQ-UHFFFAOYSA-N 0 0 418.247 3.203 40 0 HGABRN Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4ccccn4)C[C@@H]3C2)c1 ZINC000096251244 559105267 /nfs/dbraw/zinc/10/52/67/559105267.db2.gz GVOJEFVVJFUSSI-CYFREDJKSA-N 0 0 421.545 3.229 40 0 HGABRN Cc1ccc(CC(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@H](C)C2)cc1 ZINC000096261070 559106066 /nfs/dbraw/zinc/10/60/66/559106066.db2.gz PTIHIDJQLUQKFD-MEKIYTOJSA-N 0 0 407.514 3.357 40 0 HGABRN O=C(c1ccncc1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccccc1 ZINC000096261902 559106171 /nfs/dbraw/zinc/10/61/71/559106171.db2.gz HZMUAVMMRMJPOF-HSZRJFAPSA-N 0 0 419.506 3.028 40 0 HGABRN CCC1=NC2(CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)C(=O)N1CC1CC1 ZINC000096261382 559106173 /nfs/dbraw/zinc/10/61/73/559106173.db2.gz JFDLSWMHLPWREU-UHFFFAOYSA-N 0 0 422.573 3.325 40 0 HGABRN C[C@H]1CCCCN1C(=O)c1ncn2c1nccc2C1CCN(C(=O)c2ccoc2)CC1 ZINC000096267229 559108112 /nfs/dbraw/zinc/10/81/12/559108112.db2.gz IVLHPHFVXRHISW-INIZCTEOSA-N 0 0 421.501 3.357 40 0 HGABRN NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000585261830 559109536 /nfs/dbraw/zinc/10/95/36/559109536.db2.gz SBKWXDAHOHDRFJ-RUZDIDTESA-N 0 0 414.509 3.265 40 0 HGABRN C[C@]1(O)CCN(C(=O)COc2ccc(F)c(Cl)c2)C[C@@H]1Oc1cccc(F)c1 ZINC000585262214 559110567 /nfs/dbraw/zinc/11/05/67/559110567.db2.gz CSHJEWVHGWSNQB-ICSRJNTNSA-N 0 0 411.832 3.428 40 0 HGABRN Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)c1 ZINC000585272112 559117865 /nfs/dbraw/zinc/11/78/65/559117865.db2.gz FSGQOKLUWRQMGT-QFIPXVFZSA-N 0 0 420.912 3.310 40 0 HGABRN Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4cnn(C)c4)C3)nc(C)n2)n1 ZINC000585291043 559123526 /nfs/dbraw/zinc/12/35/26/559123526.db2.gz IGNWJGZLJJDYHT-DWTRPJMMSA-N 0 0 409.519 3.056 40 0 HGABRN Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)ccn2)n1 ZINC000585291202 559123586 /nfs/dbraw/zinc/12/35/86/559123586.db2.gz LPRLFRBSRXEKLN-DUMMIQTOSA-N 0 0 403.490 3.375 40 0 HGABRN Cc1cc(C)nc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ccn2)n1 ZINC000585292839 559124412 /nfs/dbraw/zinc/12/44/12/559124412.db2.gz 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COc1ccc(C(=O)Nc2ccc3sncc3c2)cc1S(=O)(=O)N1CCCC1 ZINC000222904488 568530313 /nfs/dbraw/zinc/53/03/13/568530313.db2.gz NINLXXFEAKGDHE-UHFFFAOYSA-N 0 0 417.512 3.342 40 0 HGABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000222909063 568530452 /nfs/dbraw/zinc/53/04/52/568530452.db2.gz KSLBSBBDRAZAPH-OAHLLOKOSA-N 0 0 400.450 3.388 40 0 HGABRN COCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222919656 568530879 /nfs/dbraw/zinc/53/08/79/568530879.db2.gz LIWKUJSGTXJENM-SFHVURJKSA-N 0 0 400.494 3.328 40 0 HGABRN CCCNS(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc32)ccc1OC ZINC000222921123 568530889 /nfs/dbraw/zinc/53/08/89/568530889.db2.gz QDNMQMZTQKTAFV-UHFFFAOYSA-N 0 0 412.511 3.467 40 0 HGABRN C[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000222984211 568533234 /nfs/dbraw/zinc/53/32/34/568533234.db2.gz BTGBKAVHJNOMMT-CQSZACIVSA-N 0 0 422.497 3.487 40 0 HGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccccc1 ZINC000223033608 568535025 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HGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000223585440 568552412 /nfs/dbraw/zinc/55/24/12/568552412.db2.gz XXCMPQUHLLOQNR-SFHVURJKSA-N 0 0 412.530 3.498 40 0 HGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223589374 568552534 /nfs/dbraw/zinc/55/25/34/568552534.db2.gz QTFDFMSFYHWVTR-GOSISDBHSA-N 0 0 410.514 3.252 40 0 HGABRN C[C@H](C(=O)NCCOc1ccc2ccccc2c1)N(c1ccccc1)S(C)(=O)=O ZINC000223593599 568552736 /nfs/dbraw/zinc/55/27/36/568552736.db2.gz NJVMKBSOSHDKCL-QGZVFWFLSA-N 0 0 412.511 3.190 40 0 HGABRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223601881 568552963 /nfs/dbraw/zinc/55/29/63/568552963.db2.gz YJSFTZZQFQEHOX-PMACEKPBSA-N 0 0 423.494 3.093 40 0 HGABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 ZINC000223601557 568552967 /nfs/dbraw/zinc/55/29/67/568552967.db2.gz YTGDPDCRLVPKJO-VQTJNVASSA-N 0 0 423.494 3.093 40 0 HGABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1ccncc1 ZINC000223606439 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ZINC000257197589 568775921 /nfs/dbraw/zinc/77/59/21/568775921.db2.gz DKSWOSGLYNEBLV-UHFFFAOYSA-N 0 0 403.425 3.260 40 0 HGABRN O=C(C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 ZINC000257199963 568776097 /nfs/dbraw/zinc/77/60/97/568776097.db2.gz ABMCZJFFHRNSII-HKUYNNGSSA-N 0 0 413.543 3.455 40 0 HGABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1ccnc(C)n1)[C@@H]2Cc1ccccc1 ZINC000257200814 568776271 /nfs/dbraw/zinc/77/62/71/568776271.db2.gz AEZXHPRUAPSSFY-JAWPICGBSA-N 0 0 418.541 3.400 40 0 HGABRN COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CCO)cc1OC ZINC000257201170 568776404 /nfs/dbraw/zinc/77/64/04/568776404.db2.gz AGPMARYDLQBKJB-UALQTUHCSA-N 0 0 403.519 3.085 40 0 HGABRN C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)NCCOCCO)ccc2O1 ZINC000257201775 568776547 /nfs/dbraw/zinc/77/65/47/568776547.db2.gz AIZYTOCJVNIANK-QFIPXVFZSA-N 0 0 421.896 3.083 40 0 HGABRN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cn(C)nc2C)cc1 ZINC000257203162 568777204 /nfs/dbraw/zinc/77/72/04/568777204.db2.gz AOXHDTAUYHAQKS-UEVCKROQSA-N 0 0 412.534 3.044 40 0 HGABRN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257207360 568778256 /nfs/dbraw/zinc/77/82/56/568778256.db2.gz BHKFTFHGXRWUBX-HNNXBMFYSA-N 0 0 400.822 3.097 40 0 HGABRN Cc1nc(Nc2cc(C)nc([C@H]3CN(C(=O)c4ccc(N)nc4)CCO3)c2)sc1C ZINC000257212109 568779635 /nfs/dbraw/zinc/77/96/35/568779635.db2.gz CBZSEJSFAGEWPH-GOSISDBHSA-N 0 0 424.530 3.398 40 0 HGABRN O=C(NCC[C@H]1CCCCN1C(=O)c1ccccc1Cn1cncn1)c1ccccc1 ZINC000257214102 568780282 /nfs/dbraw/zinc/78/02/82/568780282.db2.gz CKNABYXRFPAAQJ-OAQYLSRUSA-N 0 0 417.513 3.141 40 0 HGABRN CN(C(=O)c1c[nH]nc1C1CCN(C(=O)C[C@@H]2CCCCO2)CC1)C1CCCCC1 ZINC000257218431 568781378 /nfs/dbraw/zinc/78/13/78/568781378.db2.gz DDDAXZXWWHFJMV-IBGZPJMESA-N 0 0 416.566 3.480 40 0 HGABRN Cc1c(NC(=O)CN2CCO[C@H](c3cccc(Cc4ccccc4C)n3)C2)cnn1C ZINC000257219132 568781639 /nfs/dbraw/zinc/78/16/39/568781639.db2.gz DFSPCHOHHZKEIQ-QHCPKHFHSA-N 0 0 419.529 3.035 40 0 HGABRN COc1cccc(OC)c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)CCO ZINC000257221023 568782303 /nfs/dbraw/zinc/78/23/03/568782303.db2.gz DNEYFPTXTIJEQT-FBZRESJNSA-N 0 0 403.519 3.085 40 0 HGABRN Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)c1 ZINC000257221463 568782509 /nfs/dbraw/zinc/78/25/09/568782509.db2.gz DPCYOEMTACRYOZ-HNNXBMFYSA-N 0 0 420.922 3.221 40 0 HGABRN Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)nc(C)n1 ZINC000257221837 568782514 /nfs/dbraw/zinc/78/25/14/568782514.db2.gz DQSLUGCATHKXPX-HXUWFJFHSA-N 0 0 415.444 3.294 40 0 HGABRN COc1ccc(C2(C(=O)N3CCC[C@](C(N)=O)(c4ccccn4)C3)CCCCC2)cc1 ZINC000257223385 568782891 /nfs/dbraw/zinc/78/28/91/568782891.db2.gz DXCPRASBAGHGPV-RUZDIDTESA-N 0 0 421.541 3.338 40 0 HGABRN O=C(CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1)N1CCCCC1 ZINC000257223330 568782955 /nfs/dbraw/zinc/78/29/55/568782955.db2.gz DWWPGBJVBCIKIU-UHFFFAOYSA-N 0 0 421.541 3.217 40 0 HGABRN COCCOc1cccc(CN2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257227279 568784126 /nfs/dbraw/zinc/78/41/26/568784126.db2.gz FOMCOVQBFYQTSH-JOCHJYFZSA-N 0 0 421.501 3.214 40 0 HGABRN CC1(C)Cc2cc(CN3CCO[C@H](c4ncncc4-c4ccnc(N)c4)C3)ccc2O1 ZINC000257234027 568786029 /nfs/dbraw/zinc/78/60/29/568786029.db2.gz GRUPGLJLNSAURR-NRFANRHFSA-N 0 0 417.513 3.408 40 0 HGABRN CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000257236476 568786518 /nfs/dbraw/zinc/78/65/18/568786518.db2.gz HCJLSGBDYLCEEU-DEOSSOPVSA-N 0 0 409.505 3.339 40 0 HGABRN COc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(N)=O)C2)cc1F ZINC000257241255 568787895 /nfs/dbraw/zinc/78/78/95/568787895.db2.gz HXIHKZZLHKGHAU-KSSFIOAISA-N 0 0 420.868 3.273 40 0 HGABRN COc1ccc(CC[N@H+](CC(=O)[O-])C2CCN(c3cccc(F)c3)CC2)cc1OC ZINC000257248206 568789708 /nfs/dbraw/zinc/78/97/08/568789708.db2.gz JCQAATBXZLRZCD-UHFFFAOYSA-N 0 0 416.493 3.441 40 0 HGABRN COc1cccc(-c2cncc([C@H]3CN(C(=O)Cc4ccc(F)cc4)CCO3)n2)c1 ZINC000257248249 568789783 /nfs/dbraw/zinc/78/97/83/568789783.db2.gz JCVCQAUCYIKLJQ-JOCHJYFZSA-N 0 0 407.445 3.434 40 0 HGABRN COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(C)nc(=O)[nH]3)o2)c1 ZINC000257249251 568790155 /nfs/dbraw/zinc/79/01/55/568790155.db2.gz JHMJEVFUEGECDR-LJQANCHMSA-N 0 0 408.458 3.445 40 0 HGABRN CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000257251155 568790678 /nfs/dbraw/zinc/79/06/78/568790678.db2.gz JPQHIWMTMMEMHQ-NRFANRHFSA-N 0 0 421.538 3.080 40 0 HGABRN CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1)C1CCCCC1 ZINC000257252176 568790947 /nfs/dbraw/zinc/79/09/47/568790947.db2.gz JTVAVPJEDXPVHC-HKUYNNGSSA-N 0 0 416.566 3.480 40 0 HGABRN CCNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc1C ZINC000257253219 568791096 /nfs/dbraw/zinc/79/10/96/568791096.db2.gz JYAANCRNQUGGJF-HXUWFJFHSA-N 0 0 408.546 3.111 40 0 HGABRN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000257254860 568791785 /nfs/dbraw/zinc/79/17/85/568791785.db2.gz KEZFWFVOKWWUHL-CQSZACIVSA-N 0 0 410.499 3.119 40 0 HGABRN NC(=O)C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000257261558 568793256 /nfs/dbraw/zinc/79/32/56/568793256.db2.gz LHWASINIHBVVAF-HSZRJFAPSA-N 0 0 416.468 3.461 40 0 HGABRN CCC(CC)C(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CCCC3)c(C)n2)C1 ZINC000257264739 568794161 /nfs/dbraw/zinc/79/41/61/568794161.db2.gz LVVUIAUHLUWMSY-SFHVURJKSA-N 0 0 400.567 3.447 40 0 HGABRN O=C(c1cccc2ncccc21)N1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)C1 ZINC000257265383 568794210 /nfs/dbraw/zinc/79/42/10/568794210.db2.gz LYLAINTVDAWMFK-QHCPKHFHSA-N 0 0 421.428 3.242 40 0 HGABRN CN(C)c1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000257265557 568794284 /nfs/dbraw/zinc/79/42/84/568794284.db2.gz LZDUKCVRROMLFH-QFIPXVFZSA-N 0 0 407.493 3.241 40 0 HGABRN FC(F)(F)c1cccc(OCCc2cc([C@@H]3CN(Cc4ncc[nH]4)CCO3)[nH]n2)c1 ZINC000257268987 568795313 /nfs/dbraw/zinc/79/53/13/568795313.db2.gz MOBVOSFPDFHUKP-SFHVURJKSA-N 0 0 421.423 3.347 40 0 HGABRN COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4O)OCC[C@]13C2 ZINC000257268737 568795325 /nfs/dbraw/zinc/79/53/25/568795325.db2.gz MMYGBBGMKCMTDZ-YKRPYPKWSA-N 0 0 403.519 3.436 40 0 HGABRN Cc1cccc(C[C@H]2CCCN(C(=O)c3ccccc3OCCN3CCCC3=O)C2)n1 ZINC000257269132 568795361 /nfs/dbraw/zinc/79/53/61/568795361.db2.gz MOSAFGMAZOPPNT-HXUWFJFHSA-N 0 0 421.541 3.486 40 0 HGABRN CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000257274160 568796717 /nfs/dbraw/zinc/79/67/17/568796717.db2.gz NJVBJYXZBHSLGD-XMMPIXPASA-N 0 0 409.505 3.339 40 0 HGABRN COc1cc(OC)cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)CCO)c1 ZINC000257282898 568799415 /nfs/dbraw/zinc/79/94/15/568799415.db2.gz OVUQKHCUXHELIM-YXINZFGNSA-N 0 0 403.519 3.085 40 0 HGABRN CC(=O)N[C@H]1CC[C@](CNC(=O)C2(C)CCCCC2)(c2ccccc2)CC[C@@H]1O ZINC000257287081 568800644 /nfs/dbraw/zinc/80/06/44/568800644.db2.gz POLBEPBDRMKXIQ-HFMPRLQTSA-N 0 0 400.563 3.451 40 0 HGABRN Cc1nc(C[C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)cc(C(=O)N(C)C)n1 ZINC000257287841 568800852 /nfs/dbraw/zinc/80/08/52/568800852.db2.gz PRSJOEDQBDRBFJ-KRWDZBQOSA-N 0 0 417.513 3.130 40 0 HGABRN COc1ccc(-c2csc(NC(=O)CN3CC[C@@]4(CCCO4)[C@H](OC)C3)n2)cc1 ZINC000257289000 568801173 /nfs/dbraw/zinc/80/11/73/568801173.db2.gz PWOSLNNRMBGAGK-NQIIRXRSSA-N 0 0 417.531 3.027 40 0 HGABRN COc1ccc(-c2csc(NC(=O)CN3CC[C@]4(CCCO4)[C@@H](OC)C3)n2)cc1 ZINC000257288999 568801181 /nfs/dbraw/zinc/80/11/81/568801181.db2.gz PWOSLNNRMBGAGK-GHTZIAJQSA-N 0 0 417.531 3.027 40 0 HGABRN CCn1cc(C(=O)N2CC3(C2)CO[C@@H]2c4cccc(OC)c4OC(C)(C)[C@H]2C3)cn1 ZINC000257290917 568801822 /nfs/dbraw/zinc/80/18/22/568801822.db2.gz QEVAFFNSABLBEF-PKOBYXMFSA-N 0 0 411.502 3.303 40 0 HGABRN CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)c4cccnn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257291639 568802064 /nfs/dbraw/zinc/80/20/64/568802064.db2.gz QHXXLBSNHPJBCV-LYVDORBWSA-N 0 0 418.541 3.482 40 0 HGABRN CC(=O)N[C@H]1CC[C@](CNC(=O)c2cc(F)ccc2F)(c2ccccc2)CC[C@@H]1O ZINC000257295192 568802967 /nfs/dbraw/zinc/80/29/67/568802967.db2.gz QXIQHMKBFYUNKY-FUDKSRODSA-N 0 0 416.468 3.072 40 0 HGABRN Cc1cc(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)N2C(=O)OC(C)(C)C)on1 ZINC000257297303 568803586 /nfs/dbraw/zinc/80/35/86/568803586.db2.gz RGSJRZKKVWKDEB-RACNMONISA-N 0 0 407.511 3.032 40 0 HGABRN COc1cccc(OC)c1C(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257301568 568804909 /nfs/dbraw/zinc/80/49/09/568804909.db2.gz RZAAHZGFCZKBDW-IBGZPJMESA-N 0 0 420.469 3.451 40 0 HGABRN CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)c4ccnn4C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257302776 568805278 /nfs/dbraw/zinc/80/52/78/568805278.db2.gz SEIVHCNKDDQBMI-LYVDORBWSA-N 0 0 420.557 3.426 40 0 HGABRN Cc1ccc(C(=O)N2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)c(=O)n1C ZINC000257303651 568805429 /nfs/dbraw/zinc/80/54/29/568805429.db2.gz SIBRSYOFYOIAIL-UKAVVXHISA-N 0 0 408.498 3.226 40 0 HGABRN O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257313416 568808120 /nfs/dbraw/zinc/80/81/20/568808120.db2.gz USHKUNGKGCZVBE-ZDUSSCGKSA-N 0 0 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CCc1cccc(CC)c1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000038856260 558819339 /nfs/dbraw/zinc/81/93/39/558819339.db2.gz LYPXAULVIJVKJB-IBGZPJMESA-N 0 0 402.516 3.286 40 0 HGABRN COc1ccc2c(c1OC)[C@H](CC(C)=O)N1CCc3cc4c(cc3[C@@H]1C2=O)OCO4 ZINC000039546137 558822397 /nfs/dbraw/zinc/82/23/97/558822397.db2.gz WCUHXCUQWAQCHR-HRAATJIYSA-N 0 0 409.438 3.248 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCC2=CCCCC2)cc1C ZINC000039986159 558823841 /nfs/dbraw/zinc/82/38/41/558823841.db2.gz UNBQRFURGSXBQC-UHFFFAOYSA-N 0 0 408.564 3.411 40 0 HGABRN Cc1ccc(CSCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000017603546 558827619 /nfs/dbraw/zinc/82/76/19/558827619.db2.gz AJSFGRYTAXJQGB-UHFFFAOYSA-N 0 0 418.584 3.443 40 0 HGABRN CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(OC)cc1 ZINC000018131612 558831796 /nfs/dbraw/zinc/83/17/96/558831796.db2.gz OCHPCXFKDLGVIG-OAQYLSRUSA-N 0 0 416.543 3.363 40 0 HGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSc1ccc(C)cc1 ZINC000044902672 558836057 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IFWIZRQZYZBIAO-APWZRJJASA-N 0 0 401.413 3.228 40 0 biogenic,in-vitro HGABRN COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4cccc(F)c4)CN3C)n2)cc1 ZINC000012529921 291239719 /nfs/dbraw/zinc/23/97/19/291239719.db2.gz PCNNBEISJSEUOK-WMZOPIPTSA-N 0 0 411.437 3.451 40 0 biogenic,in-vitro HGABRN C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCN(c2ccccn2)CC1 ZINC000253398350 291241440 /nfs/dbraw/zinc/24/14/40/291241440.db2.gz HAFAYRQUFZPPNQ-AWEZNQCLSA-N 0 0 412.877 3.406 40 0 biogenic,in-vitro HGABRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015675914 291242043 /nfs/dbraw/zinc/24/20/43/291242043.db2.gz CTAIHYNDJUBDIN-SFHVURJKSA-N 0 0 401.430 3.495 40 0 biogenic,in-vitro HGABRN Cc1cccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)NC(C)C)[C@H]2C(=O)N3)c1C ZINC000008296889 291242107 /nfs/dbraw/zinc/24/21/07/291242107.db2.gz UXTIGGANDZRUOE-SFTDATJTSA-N 0 0 420.513 3.213 40 0 biogenic,in-vitro HGABRN Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccnc1Oc1ccccc1 ZINC000077261725 291242157 /nfs/dbraw/zinc/24/21/57/291242157.db2.gz IZCXATRBXUDKOF-GXRSIYKFSA-N 0 0 404.466 3.190 40 0 biogenic,in-vitro HGABRN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1)C1CCC1 ZINC000067896615 291244287 /nfs/dbraw/zinc/24/42/87/291244287.db2.gz XCKBZEAYWOBQHL-ISKFKSNPSA-N 0 0 422.525 3.319 40 0 biogenic,in-vitro HGABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC000004236313 291244395 /nfs/dbraw/zinc/24/43/95/291244395.db2.gz NCIXIHGBOSJDID-FXAWDEMLSA-N 0 0 413.477 3.360 40 0 biogenic,in-vitro HGABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccnc2)C1)C1CCCCC1 ZINC000004277688 291244639 /nfs/dbraw/zinc/24/46/39/291244639.db2.gz JPVNSEXEKNWHAC-QFBILLFUSA-N 0 0 420.513 3.022 40 0 biogenic,in-vitro HGABRN O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccco2)C1 ZINC000004258962 291244651 /nfs/dbraw/zinc/24/46/51/291244651.db2.gz FLTFCGSSCFESSJ-JKSUJKDBSA-N 0 0 418.453 3.345 40 0 biogenic,in-vitro HGABRN O=C(c1cccc(F)c1)N1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1 ZINC000004235921 291245340 /nfs/dbraw/zinc/24/53/40/291245340.db2.gz CFQYJLCXRAHEPA-LJQANCHMSA-N 0 0 419.412 3.005 40 0 biogenic,in-vitro HGABRN O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000001696108 132247414 /nfs/dbraw/zinc/24/74/14/132247414.db2.gz GWRPVMKQEIVDKV-UHFFFAOYSA-N 0 0 414.508 3.091 40 0 in-vitro HGABRN CC(C)n1c(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)nc2ccccc21 ZINC000012116271 132354233 /nfs/dbraw/zinc/35/42/33/132354233.db2.gz APEIYVBIJNDPHN-UHFFFAOYSA-N 0 0 420.561 3.495 40 0 HGABRN c1csc(-c2nc(N3CCN(c4ncccn4)CC3)ncc2-c2ccccn2)c1 ZINC000012251483 132357929 /nfs/dbraw/zinc/35/79/29/132357929.db2.gz UCLXEWDHGXZHMC-UHFFFAOYSA-N 0 0 401.499 3.384 40 0 HGABRN CC(=O)NC1(c2ccccc2F)CCN(Cc2cnc(N3CCCCC3)nc2)CC1 ZINC000012292995 132358184 /nfs/dbraw/zinc/35/81/84/132358184.db2.gz MUSLBUVVWXBWKE-UHFFFAOYSA-N 0 0 411.525 3.233 40 0 HGABRN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccccc21 ZINC000013680033 132458826 /nfs/dbraw/zinc/45/88/26/132458826.db2.gz VJWZOJCSQAUUOH-MRXNPFEDSA-N 0 0 414.405 3.261 40 0 HGABRN CCC[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013682291 132458836 /nfs/dbraw/zinc/45/88/36/132458836.db2.gz WIBBEVGMMATGCI-UZLBHIALSA-N 0 0 402.516 3.089 40 0 HGABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCc2ccccc21 ZINC000015576747 132461724 /nfs/dbraw/zinc/46/17/24/132461724.db2.gz DDGZMJUZKXFCFP-QGZVFWFLSA-N 0 0 402.491 3.206 40 0 HGABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCc2ccccc21 ZINC000015576748 132461750 /nfs/dbraw/zinc/46/17/50/132461750.db2.gz DDGZMJUZKXFCFP-KRWDZBQOSA-N 0 0 402.491 3.206 40 0 HGABRN CC(=O)c1cccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000020458195 518424173 /nfs/dbraw/zinc/42/41/73/518424173.db2.gz ZDHSMNFREHFMRQ-MRXNPFEDSA-N 0 0 402.516 3.149 40 0 HGABRN CC(=O)Nc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 ZINC000225740829 519723114 /nfs/dbraw/zinc/72/31/14/519723114.db2.gz KOOGIOFJCPVLNW-UHFFFAOYSA-N 0 0 414.259 3.361 40 0 HGABRN CCN(CC)C(=O)C[C@H](c1ccc(OC)cc1)N(C)S(=O)(=O)c1ccccc1 ZINC000019936121 520498676 /nfs/dbraw/zinc/49/86/76/520498676.db2.gz OEHRQFSMICDRJH-HXUWFJFHSA-N 0 0 404.532 3.316 40 0 HGABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 ZINC000020038284 521223405 /nfs/dbraw/zinc/22/34/05/521223405.db2.gz XYMNFDHXZWFZBY-OAHLLOKOSA-N 0 0 420.531 3.272 40 0 HGABRN CCOc1ccccc1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000044850090 521471936 /nfs/dbraw/zinc/47/19/36/521471936.db2.gz JLFBDFMFBFUJEY-UHFFFAOYSA-N 0 0 410.923 3.473 40 0 HGABRN CCCn1c2ccc(S(=O)(=O)NCc3ccccc3OCC)cc2sc1=O ZINC000225728665 521636995 /nfs/dbraw/zinc/63/69/95/521636995.db2.gz BMYBKPZYFHZAKY-UHFFFAOYSA-N 0 0 406.529 3.350 40 0 HGABRN CCNC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 ZINC000045789244 521734375 /nfs/dbraw/zinc/73/43/75/521734375.db2.gz XKYMIHJCJJUECW-XYOQMNIYSA-N 0 0 413.558 3.355 40 0 in-vitro HGABRN CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 ZINC000044839338 522527247 /nfs/dbraw/zinc/52/72/47/522527247.db2.gz DGGAFOUEWYTYFY-IBGZPJMESA-N 0 0 422.934 3.242 40 0 HGABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1)c1ccc(OC)cc1 ZINC000020043223 522682970 /nfs/dbraw/zinc/68/29/70/522682970.db2.gz IYZAZNNYFBRRBR-SFHVURJKSA-N 0 0 418.515 3.260 40 0 HGABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000044844011 522867831 /nfs/dbraw/zinc/86/78/31/522867831.db2.gz NOLZQPVWPISCMO-FQEVSTJZSA-N 0 0 416.543 3.300 40 0 HGABRN CCc1sc(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)nc1-c1ccccc1 ZINC000032117934 523077149 /nfs/dbraw/zinc/07/71/49/523077149.db2.gz FNJZEWRCSXMVEJ-UHFFFAOYSA-N 0 0 424.526 3.362 40 0 HGABRN COCCCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000225900598 523372083 /nfs/dbraw/zinc/37/20/83/523372083.db2.gz RDNRLTDJGQDTHO-IRXDYDNUSA-N 0 0 420.627 3.272 40 0 HGABRN CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@]1(C)CC(c2ccccc2F)=NO1 ZINC000019660925 523374588 /nfs/dbraw/zinc/37/45/88/523374588.db2.gz APAULOUKJSRHBF-HSZRJFAPSA-N 0 0 411.477 3.204 40 0 HGABRN CN(c1ccccc1)S(=O)(=O)C1(C(=O)Nc2ccc(OC3CSC3)cc2)CC1 ZINC000225940037 523650189 /nfs/dbraw/zinc/65/01/89/523650189.db2.gz IEZYSEPWDYBMBE-UHFFFAOYSA-N 0 0 418.540 3.118 40 0 HGABRN COc1ccc(CCC(=O)N2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1 ZINC000019761794 523920539 /nfs/dbraw/zinc/92/05/39/523920539.db2.gz SERFSZQLQHGGRZ-KRWDZBQOSA-N 0 0 403.482 3.291 40 0 HGABRN CO[C@H]1CCC[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)C1 ZINC000072341462 523975126 /nfs/dbraw/zinc/97/51/26/523975126.db2.gz WMHKQPFECQSXQT-OXFYSEKESA-N 0 0 408.502 3.165 40 0 HGABRN COc1ccc(CN(C)C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000044886223 523991662 /nfs/dbraw/zinc/99/16/62/523991662.db2.gz PPTMSPMWDXPEGE-FMIVXFBMSA-N 0 0 401.459 3.401 40 0 HGABRN Cc1cc(C(F)(F)F)nc2sc3c(ncn(CC(=O)NCCC(C)C)c3=O)c21 ZINC000032117862 524207505 /nfs/dbraw/zinc/20/75/05/524207505.db2.gz ONQVLWJCPPKVNK-UHFFFAOYSA-N 0 0 412.437 3.496 40 0 HGABRN COc1ccc(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 ZINC000225920673 524344629 /nfs/dbraw/zinc/34/46/29/524344629.db2.gz IHFOXWXUWYVAHT-SFHVURJKSA-N 0 0 416.543 3.376 40 0 HGABRN Cc1cc(C)n(C[C@H](C)C(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 ZINC000072327776 524534259 /nfs/dbraw/zinc/53/42/59/524534259.db2.gz MNXHWOZKCJPKTQ-GANZUKCXSA-N 0 0 424.545 3.157 40 0 HGABRN COc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044883256 524624120 /nfs/dbraw/zinc/62/41/20/524624120.db2.gz JQMIEYSTDUIVKH-IBGZPJMESA-N 0 0 416.543 3.308 40 0 HGABRN Cc1ccc(N2C(SCCOc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640627 524932108 /nfs/dbraw/zinc/93/21/08/524932108.db2.gz MRBFRXGEWPVJCO-WOJBJXKFSA-N 0 0 416.568 3.457 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1Cl ZINC000020013963 525002784 /nfs/dbraw/zinc/00/27/84/525002784.db2.gz NRLGTTYSMQQATI-SFHVURJKSA-N 0 0 422.934 3.163 40 0 HGABRN COc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C(=O)NC(C)C ZINC000044904730 525075729 /nfs/dbraw/zinc/07/57/29/525075729.db2.gz JCNKEOBMXVXMJP-IBGZPJMESA-N 0 0 402.516 3.189 40 0 HGABRN COc1ccc([C@@H](C)NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 ZINC000225949461 525135124 /nfs/dbraw/zinc/13/51/24/525135124.db2.gz NZWOSSAULVVHEY-ACJLOTCBSA-N 0 0 410.923 3.206 40 0 HGABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(Cl)c1 ZINC000020799985 525198811 /nfs/dbraw/zinc/19/88/11/525198811.db2.gz OLPTZZVZLAJYGG-GFCCVEGCSA-N 0 0 414.897 3.075 40 0 HGABRN CS(=O)(=O)c1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cc1 ZINC000072322090 525246933 /nfs/dbraw/zinc/24/69/33/525246933.db2.gz GMEIZRPGMOAHCZ-FQEVSTJZSA-N 0 0 415.490 3.193 40 0 biogenic,in-vitro HGABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000044883235 525311205 /nfs/dbraw/zinc/31/12/05/525311205.db2.gz OQVVTYVCCDKLPO-IRXDYDNUSA-N 0 0 404.532 3.344 40 0 HGABRN Cc1ccc(O[C@H](C)C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4ncnc4N3)CC2)cc1 ZINC000072395683 525463808 /nfs/dbraw/zinc/46/38/08/525463808.db2.gz WFVNPBYNVDUPAB-FHLIZLRMSA-N 0 0 419.476 3.283 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/nfs/dbraw/zinc/38/42/77/558384277.db2.gz XQDQVSWXGWHGNG-MRXNPFEDSA-N 0 0 421.472 3.430 40 0 HGABRN CCc1ccc(-c2c3c(N)nc(N4CCOCC4)nc3nc3c2C(=O)CCC3)cc1 ZINC000020673545 558399054 /nfs/dbraw/zinc/39/90/54/558399054.db2.gz ZSPSRGWFYYVQFA-UHFFFAOYSA-N 0 0 403.486 3.192 40 0 HGABRN COc1cc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1O ZINC000100452247 558442908 /nfs/dbraw/zinc/44/29/08/558442908.db2.gz RSIDXQXEVZMSGK-FKBYEOEOSA-N 0 0 416.433 3.452 40 0 HGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2C)c1 ZINC000022229717 558468400 /nfs/dbraw/zinc/46/84/00/558468400.db2.gz GBPZUQJQSAGWEY-LJQANCHMSA-N 0 0 402.516 3.412 40 0 HGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(F)cccc2F)c1 ZINC000022229866 558468625 /nfs/dbraw/zinc/46/86/25/558468625.db2.gz OZDNWGCZWZDVSI-MRXNPFEDSA-N 0 0 410.442 3.074 40 0 HGABRN O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022235545 558470535 /nfs/dbraw/zinc/47/05/35/558470535.db2.gz UUDLSLITXNQYAQ-WEVVVXLNSA-N 0 0 413.521 3.419 40 0 HGABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000022245927 558472130 /nfs/dbraw/zinc/47/21/30/558472130.db2.gz HUVCCRZGMIZEJB-UHFFFAOYSA-N 0 0 406.464 3.234 40 0 HGABRN CCc1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(CC)S(C)(=O)=O ZINC000022251889 558473384 /nfs/dbraw/zinc/47/33/84/558473384.db2.gz HOGOTGOMNDTDIQ-UHFFFAOYSA-N 0 0 406.504 3.304 40 0 HGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(C)cc1C ZINC000022252613 558473773 /nfs/dbraw/zinc/47/37/73/558473773.db2.gz IEVDAZIOOSDGLW-UHFFFAOYSA-N 0 0 406.504 3.359 40 0 HGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1Cl ZINC000022252661 558473813 /nfs/dbraw/zinc/47/38/13/558473813.db2.gz SYXFEDSCJMFUKB-UHFFFAOYSA-N 0 0 412.895 3.395 40 0 HGABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000022271168 558475331 /nfs/dbraw/zinc/47/53/31/558475331.db2.gz NQPCIJXVAJFCHI-OAQYLSRUSA-N 0 0 416.543 3.034 40 0 HGABRN CCOc1ccc(CCCNC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 ZINC000022329920 558479402 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CC(C)Oc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1 ZINC000022384354 558485100 /nfs/dbraw/zinc/48/51/00/558485100.db2.gz BSVTZXMBSMPTCN-UHFFFAOYSA-N 0 0 422.572 3.148 40 0 HGABRN CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000022397001 558486783 /nfs/dbraw/zinc/48/67/83/558486783.db2.gz KUROIXSJQDHRDI-UHFFFAOYSA-N 0 0 422.557 3.063 40 0 HGABRN CC(C)Oc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000022400008 558487138 /nfs/dbraw/zinc/48/71/38/558487138.db2.gz XVEIJWCLKVWIJU-SFHVURJKSA-N 0 0 418.559 3.377 40 0 HGABRN Cc1ccc(OCCNC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000022401360 558487535 /nfs/dbraw/zinc/48/75/35/558487535.db2.gz OZEDKININLFLMM-UHFFFAOYSA-N 0 0 404.532 3.080 40 0 HGABRN COC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)ccc1Cl ZINC000022511915 558492912 /nfs/dbraw/zinc/49/29/12/558492912.db2.gz IUYZMDXROBBFGV-UHFFFAOYSA-N 0 0 417.270 3.404 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000022513574 558493385 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HGABRN O=C(NCCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000023683965 558567700 /nfs/dbraw/zinc/56/77/00/558567700.db2.gz ISVPZQUULTXDRB-GOSISDBHSA-N 0 0 420.962 3.490 40 0 HGABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712443 558576554 /nfs/dbraw/zinc/57/65/54/558576554.db2.gz CKUXEFWUQVLJKC-INIZCTEOSA-N 0 0 424.906 3.295 40 0 HGABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000013713129 558577250 /nfs/dbraw/zinc/57/72/50/558577250.db2.gz JAIKPYKNPMYIHQ-IBGZPJMESA-N 0 0 418.515 3.355 40 0 HGABRN CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714369 558578042 /nfs/dbraw/zinc/57/80/42/558578042.db2.gz COZGOCYTKYIPEJ-IBGZPJMESA-N 0 0 424.950 3.252 40 0 HGABRN CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715540 558578927 /nfs/dbraw/zinc/57/89/27/558578927.db2.gz QBQBYELIVCFBBW-SFHVURJKSA-N 0 0 422.478 3.104 40 0 HGABRN CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716847 558579814 /nfs/dbraw/zinc/57/98/14/558579814.db2.gz QWYVJYSYZSVAEN-IBGZPJMESA-N 0 0 418.515 3.273 40 0 HGABRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)CC2 ZINC000014014089 558613532 /nfs/dbraw/zinc/61/35/32/558613532.db2.gz CJWNNNIRFKIZOX-ZQDZILKHSA-N 0 0 408.564 3.486 40 0 HGABRN COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000025165691 558633523 /nfs/dbraw/zinc/63/35/23/558633523.db2.gz OWYUBVDJBLISOX-CYBMUJFWSA-N 0 0 421.291 3.231 40 0 HGABRN Cn1nnc(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)n1 ZINC000038200770 558640171 /nfs/dbraw/zinc/64/01/71/558640171.db2.gz HQOGIYGMKASMMH-SOFGYWHQSA-N 0 0 423.285 3.303 40 0 HGABRN COc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Br)C2=O)c(OC)c1 ZINC000028051053 558690452 /nfs/dbraw/zinc/69/04/52/558690452.db2.gz FTQSQAQFDPSAOW-CQSZACIVSA-N 0 0 405.248 3.210 40 0 HGABRN Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000015386233 558736841 /nfs/dbraw/zinc/73/68/41/558736841.db2.gz SFLRBCMDWWXIJF-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/96/92/96/558969296.db2.gz DQKSTTYYGOYJQP-FQEVSTJZSA-N 0 0 411.594 3.140 40 0 HGABRN CCC(CC)C(=O)N1CCO[C@](Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)C1 ZINC000072389027 558969341 /nfs/dbraw/zinc/96/93/41/558969341.db2.gz RJWDDGQBBIIIIZ-VWLOTQADSA-N 0 0 423.557 3.413 40 0 HGABRN Cc1cc(C(F)(F)F)nn1CCc1cc(=O)[nH]c(N[C@@H]2CCOc3ccccc32)n1 ZINC000072391456 558971369 /nfs/dbraw/zinc/97/13/69/558971369.db2.gz UGCBDXDHYYPYLO-OAHLLOKOSA-N 0 0 419.407 3.472 40 0 HGABRN CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)CC1CCCCC1)CC2 ZINC000019710331 558972107 /nfs/dbraw/zinc/97/21/07/558972107.db2.gz ZXAIMIRLERFEGM-GOSISDBHSA-N 0 0 413.566 3.099 40 0 HGABRN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 ZINC000072395671 558974710 /nfs/dbraw/zinc/97/47/10/558974710.db2.gz VJOWUDAKRMSJHN-OAUYIBNBSA-N 0 0 423.439 3.114 40 0 HGABRN Cc1ccc(N2C[C@H](C(=O)N(C)Cc3ccccc3N3CCOCC3)CC2=O)c(C)c1 ZINC000019714976 558975306 /nfs/dbraw/zinc/97/53/06/558975306.db2.gz LCZYSUSCNNHMGR-OAQYLSRUSA-N 0 0 421.541 3.152 40 0 HGABRN CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(-c3cn4ccsc4n3)c2)C1=O ZINC000019715283 558976066 /nfs/dbraw/zinc/97/60/66/558976066.db2.gz RAQHTIKZYMOCFS-UHFFFAOYSA-N 0 0 411.487 3.112 40 0 HGABRN CC1CCC2(CC1)NC(=O)N(CC(=O)N(Cc1ccccn1)C1CCCCC1)C2=O ZINC000019715422 558976304 /nfs/dbraw/zinc/97/63/04/558976304.db2.gz JISMOSDFAOXVOS-UHFFFAOYSA-N 0 0 412.534 3.244 40 0 HGABRN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000019717241 558979745 /nfs/dbraw/zinc/97/97/45/558979745.db2.gz QBRZSYWWBKOQJR-SFHVURJKSA-N 0 0 420.488 3.483 40 0 HGABRN CCn1cnc2sc(C(=O)NCCc3cn(C)c4ccc(F)cc34)c(C)c2c1=O ZINC000019717368 558979910 /nfs/dbraw/zinc/97/99/10/558979910.db2.gz HWRZSHIEFLVJHO-UHFFFAOYSA-N 0 0 412.490 3.390 40 0 HGABRN COc1ccc([C@H]2CCCN2C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000019718098 558981220 /nfs/dbraw/zinc/98/12/20/558981220.db2.gz SRCXFODLEVQKGD-LJQANCHMSA-N 0 0 407.470 3.124 40 0 HGABRN COc1cccc([C@H]2CCCN2C(=O)COc2ccc(-n3nc(C)cc3C)nn2)c1 ZINC000019718876 558982386 /nfs/dbraw/zinc/98/23/86/558982386.db2.gz MIFAIAJEXRSURT-LJQANCHMSA-N 0 0 407.474 3.030 40 0 HGABRN CNc1cc([C@@H]2CCCN(C(=O)[C@H]3CC[C@H](OC)CC3)C2)nc(-c2cccnc2)n1 ZINC000257332013 559013244 /nfs/dbraw/zinc/01/32/44/559013244.db2.gz XVJCQLNKJUOSCW-BHIYHBOVSA-N 0 0 409.534 3.492 40 0 HGABRN O=C(C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)Cc2ccnn21)NCc1ccco1 ZINC000585096062 559023501 /nfs/dbraw/zinc/02/35/01/559023501.db2.gz YURPFSXWXOICBW-BSFBHTCNSA-N 0 0 422.529 3.282 40 0 HGABRN Cc1c2ccccc2oc1C(=O)N1CCn2cc(CC(=O)NC3CCC3)nc2[C@@H]1C ZINC000585098648 559024262 /nfs/dbraw/zinc/02/42/62/559024262.db2.gz WCDLBMFUVIPOLB-HNNXBMFYSA-N 0 0 406.486 3.366 40 0 HGABRN C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN(c1ncnc3ccccc31)C2 ZINC000585103874 559025873 /nfs/dbraw/zinc/02/58/73/559025873.db2.gz GJDBJNHMNSSANE-UUOWRZLLSA-N 0 0 402.498 3.446 40 0 HGABRN COc1cc(-c2ccc3c(c2)C2(CN3C(=O)CCCNC(C)=O)CCOCC2)ccn1 ZINC000585105753 559026857 /nfs/dbraw/zinc/02/68/57/559026857.db2.gz IMZAMQJYBZOFIW-UHFFFAOYSA-N 0 0 423.513 3.068 40 0 HGABRN CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccc3c(c1)CCO3)C2 ZINC000585107287 559027776 /nfs/dbraw/zinc/02/77/76/559027776.db2.gz SFGMFNGKSQWKKW-DEOSSOPVSA-N 0 0 400.482 3.389 40 0 HGABRN Cc1ccc(CC(=O)N2CCC3(CC2)Cn2c(-c4cccnc4)cnc2CO3)cc1 ZINC000585106384 559028843 /nfs/dbraw/zinc/02/88/43/559028843.db2.gz SKSSRARMNGNYHU-UHFFFAOYSA-N 0 0 402.498 3.388 40 0 HGABRN O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCc2ccccc2C1 ZINC000585111662 559030726 /nfs/dbraw/zinc/03/07/26/559030726.db2.gz DYXXRJKOOGRHDM-JOCHJYFZSA-N 0 0 402.498 3.313 40 0 HGABRN CCOc1ccc(C(=O)N2CCc3ncc(-c4cnn(CC5CC5)c4)n3CC2)cc1 ZINC000585111256 559031807 /nfs/dbraw/zinc/03/18/07/559031807.db2.gz LREGGFZZHDLNPI-UHFFFAOYSA-N 0 0 405.502 3.254 40 0 HGABRN O=C(C[C@@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)N1CCOCC1 ZINC000096052825 559092503 /nfs/dbraw/zinc/09/25/03/559092503.db2.gz SGNBUMKUZVFRND-LJQANCHMSA-N 0 0 408.498 3.190 40 0 HGABRN Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc2O3)n1 ZINC000096053183 559093080 /nfs/dbraw/zinc/09/30/80/559093080.db2.gz DBQHNHCGEALJGQ-SFHVURJKSA-N 0 0 407.514 3.409 40 0 HGABRN COc1ccc(NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)NCc2ccccc2)C3)cc1 ZINC000096074375 559094394 /nfs/dbraw/zinc/09/43/94/559094394.db2.gz VTIAMFCIJMZQSY-QHCPKHFHSA-N 0 0 422.485 3.154 40 0 HGABRN CCN1Cc2c(C(=O)Nc3cccc(Cl)c3)ncn2-c2ccccc2S1(=O)=O ZINC000096088084 559095022 /nfs/dbraw/zinc/09/50/22/559095022.db2.gz AHWRFLCOTGNDSV-UHFFFAOYSA-N 0 0 416.890 3.302 40 0 HGABRN COc1ccc(CNC(=O)c2nc3c(s2)CCN(C(=O)CC(C)C)CC3)cc1 ZINC000096146956 559098141 /nfs/dbraw/zinc/09/81/41/559098141.db2.gz ADDRKRGJTOZBFZ-UHFFFAOYSA-N 0 0 401.532 3.055 40 0 HGABRN CC[C@@H](CO)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc32)s1 ZINC000096154641 559099153 /nfs/dbraw/zinc/09/91/53/559099153.db2.gz PNEMSVUAGIQBMG-ZDUSSCGKSA-N 0 0 400.504 3.442 40 0 HGABRN Cc1nc(-c2nc(C(=O)NCc3ccncc3)c3ccccn32)cn1Cc1ccncc1 ZINC000096155213 559099494 /nfs/dbraw/zinc/09/94/94/559099494.db2.gz HMQQEPHRBNTCHO-UHFFFAOYSA-N 0 0 423.480 3.275 40 0 HGABRN CC(=O)N1CCC2(CC1)C[C@@H](NC(=O)Cc1ccc(N(C)C)cc1)c1ccccc1O2 ZINC000096156907 559100822 /nfs/dbraw/zinc/10/08/22/559100822.db2.gz XNQXMUQSRCFPIO-JOCHJYFZSA-N 0 0 421.541 3.316 40 0 HGABRN COc1cccc(N[C@H]2COC3(C2)CCN(S(=O)(=O)c2cccc(F)c2)CC3)c1 ZINC000096221469 559102177 /nfs/dbraw/zinc/10/21/77/559102177.db2.gz LVGGNAJLBWKLBJ-GOSISDBHSA-N 0 0 420.506 3.259 40 0 HGABRN CCc1ccc(NC(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 ZINC000096225115 559102224 /nfs/dbraw/zinc/10/22/24/559102224.db2.gz SPFJRLZONGJEDE-HSZRJFAPSA-N 0 0 421.501 3.103 40 0 HGABRN Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)c1 ZINC000096225241 559102357 /nfs/dbraw/zinc/10/23/57/559102357.db2.gz VPYHMPCJVLRJKM-XMMPIXPASA-N 0 0 420.513 3.108 40 0 HGABRN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1F ZINC000096227269 559102602 /nfs/dbraw/zinc/10/26/02/559102602.db2.gz FDNZPUABTONHLN-YLJYHZDGSA-N 0 0 406.454 3.313 40 0 HGABRN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000096237787 559103087 /nfs/dbraw/zinc/10/30/87/559103087.db2.gz CMNYNJYDTOZYSS-OAQYLSRUSA-N 0 0 417.431 3.269 40 0 HGABRN CN(C)c1ccc(C(=O)N2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)cc1 ZINC000096241125 559103680 /nfs/dbraw/zinc/10/36/80/559103680.db2.gz RFIKYWGAMAUDSP-OAQYLSRUSA-N 0 0 407.514 3.260 40 0 HGABRN CN(C)C(=O)C[C@H]1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 ZINC000096242028 559103760 /nfs/dbraw/zinc/10/37/60/559103760.db2.gz HSTYBTDEGLZVAP-SFHVURJKSA-N 0 0 412.555 3.375 40 0 HGABRN CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)C4CCCC4)CC3)c3ccccc32)CC1 ZINC000096242273 559103990 /nfs/dbraw/zinc/10/39/90/559103990.db2.gz GTYRKPOKFJSKFM-OAQYLSRUSA-N 0 0 423.601 3.388 40 0 HGABRN O=S1(=O)c2ccccc2[C@@]2(CCN(Cc3cccnc3)C2)N1Cc1ccccc1 ZINC000096261913 559106152 /nfs/dbraw/zinc/10/61/52/559106152.db2.gz KOXWRZSHAHTHOC-QHCPKHFHSA-N 0 0 405.523 3.387 40 0 HGABRN O=C(NCCc1ccncc1)[C@H]1C[C@@]2(CO1)CN(Cc1ccccc1)c1ccccc12 ZINC000096262847 559106924 /nfs/dbraw/zinc/10/69/24/559106924.db2.gz SBDXPRNKMLQPJC-RSXGOPAZSA-N 0 0 413.521 3.487 40 0 HGABRN NC(=O)C[C@@]1(COc2cccc(Cl)c2)CN(Cc2ccc3[nH]ccc3c2)CCO1 ZINC000585274052 559118456 /nfs/dbraw/zinc/11/84/56/559118456.db2.gz ZQRGGEBDHUFRAU-QFIPXVFZSA-N 0 0 413.905 3.347 40 0 HGABRN O=C(C1CCOCC1)N1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290723 559123416 /nfs/dbraw/zinc/12/34/16/559123416.db2.gz VLKPNQHWNZIVAU-AWEZNQCLSA-N 0 0 410.396 3.283 40 0 HGABRN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)s1 ZINC000585291395 559123739 /nfs/dbraw/zinc/12/37/39/559123739.db2.gz CBOGFRNYHDDGGT-SQRWCISFSA-N 0 0 423.546 3.213 40 0 HGABRN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)ncn2)s1 ZINC000585291537 559123822 /nfs/dbraw/zinc/12/38/22/559123822.db2.gz RLQNGILOXZAQCT-MBVDDHJVSA-N 0 0 409.519 3.203 40 0 HGABRN Cn1cc(C(=O)NC[C@H]2CC[C@H](c3ccnc4cc(C(C)(C)C)nn43)CC2)ccc1=O ZINC000100159416 559131316 /nfs/dbraw/zinc/13/13/16/559131316.db2.gz POAHKWNHUWYMQV-CALCHBBNSA-N 0 0 421.545 3.429 40 0 HGABRN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000100165444 559131433 /nfs/dbraw/zinc/13/14/33/559131433.db2.gz PUOHVUQNAOYZDQ-TXPKVOOTSA-N 0 0 408.502 3.182 40 0 HGABRN COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3C(=O)N(C)C)CC2)cc1 ZINC000100205672 559131828 /nfs/dbraw/zinc/13/18/28/559131828.db2.gz XSRMXEHKDJZEDS-KDURUIRLSA-N 0 0 424.545 3.128 40 0 HGABRN CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@@H+]4C[C@H]4CC=CCC4)[n-]n3c(=O)c2C1 ZINC000100243138 559133320 /nfs/dbraw/zinc/13/33/20/559133320.db2.gz JKEUSCCXKRDTLI-UWJYYQICSA-N 0 0 409.534 3.223 40 0 HGABRN [NH3+][C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc([N-]c3ncccn3)n2)CC1)c1ccccc1 ZINC000100708858 559138184 /nfs/dbraw/zinc/13/81/84/559138184.db2.gz NMJOVTIISUQYDJ-QKLQHJQFSA-N 0 0 417.517 3.100 40 0 HGABRN COc1ccc(CCNC(=S)NC=Cc2nc3ccccc3[nH]c2=O)cc1OC ZINC000104303795 559160192 /nfs/dbraw/zinc/16/01/92/559160192.db2.gz MVCTXCZWSZFBLZ-BENRWUELSA-N 0 0 410.499 3.030 40 0 HGABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccc(OC)cc1 ZINC000106129640 559163447 /nfs/dbraw/zinc/16/34/47/559163447.db2.gz DDESFWHWMSZCGB-NQIIRXRSSA-N 0 0 416.543 3.363 40 0 HGABRN Cc1ccc(CC(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cc1 ZINC000107271830 559165040 /nfs/dbraw/zinc/16/50/40/559165040.db2.gz PTIHIDJQLUQKFD-SNYIIPAISA-N 0 0 407.514 3.357 40 0 HGABRN O=C(NCCOc1cccc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000108230249 559166993 /nfs/dbraw/zinc/16/69/93/559166993.db2.gz INOIPWUVZQBJNF-UHFFFAOYSA-N 0 0 424.522 3.433 40 0 HGABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCOCC3)nc2C)cc1 ZINC000072219635 559169795 /nfs/dbraw/zinc/16/97/95/559169795.db2.gz JDZCFZAVTSECIJ-FQEVSTJZSA-N 0 0 401.532 3.061 40 0 HGABRN CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000044791448 559173327 /nfs/dbraw/zinc/17/33/27/559173327.db2.gz VXNFZHLGHUGBFH-UHFFFAOYSA-N 0 0 405.278 3.215 40 0 HGABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044933594 559173773 /nfs/dbraw/zinc/17/37/73/559173773.db2.gz WNHRPCBJQPFOIV-IFXJQAMLSA-N 0 0 422.934 3.443 40 0 HGABRN CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000113871763 559181605 /nfs/dbraw/zinc/18/16/05/559181605.db2.gz MCBQIHUWMYSUGR-UHFFFAOYSA-N 0 0 404.488 3.020 40 0 HGABRN CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1 ZINC000113875582 559181719 /nfs/dbraw/zinc/18/17/19/559181719.db2.gz CZISTIRQOHVFHA-UHFFFAOYSA-N 0 0 416.268 3.347 40 0 HGABRN CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(F)cc1 ZINC000113893402 559182082 /nfs/dbraw/zinc/18/20/82/559182082.db2.gz XXQMQELRRFFPTH-UHFFFAOYSA-N 0 0 401.843 3.246 40 0 HGABRN CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113892922 559182114 /nfs/dbraw/zinc/18/21/14/559182114.db2.gz FCUNKIQDFBVFTJ-UHFFFAOYSA-N 0 0 413.879 3.116 40 0 HGABRN CCOc1ccc(CNC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000113956363 559183155 /nfs/dbraw/zinc/18/31/55/559183155.db2.gz PKKPCBJORLYSII-UHFFFAOYSA-N 0 0 404.532 3.256 40 0 HGABRN CC(C)Oc1cccc(CNC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000113966368 559184613 /nfs/dbraw/zinc/18/46/13/559184613.db2.gz YKPFNFHIZKAAKZ-UHFFFAOYSA-N 0 0 422.522 3.476 40 0 HGABRN CCOc1ccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000113967263 559184831 /nfs/dbraw/zinc/18/48/31/559184831.db2.gz SNHBWSRMDWFYCV-UHFFFAOYSA-N 0 0 406.504 3.279 40 0 HGABRN CC[C@H](C(=O)NCc1cccc(OC(C)C)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000113968414 559185086 /nfs/dbraw/zinc/18/50/86/559185086.db2.gz ZLLXRQDILXWSGH-LJQANCHMSA-N 0 0 422.522 3.474 40 0 HGABRN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000113972663 559185211 /nfs/dbraw/zinc/18/52/11/559185211.db2.gz NJPVTFPYEAJPOU-KRWDZBQOSA-N 0 0 424.925 3.337 40 0 HGABRN CC(C)NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl ZINC000006256316 559193574 /nfs/dbraw/zinc/19/35/74/559193574.db2.gz BCSMABHLMLREDW-AWEZNQCLSA-N 0 0 410.923 3.283 40 0 HGABRN 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CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000222745799 568525454 /nfs/dbraw/zinc/52/54/54/568525454.db2.gz FSGULPZQWHPIOX-MRXNPFEDSA-N 0 0 402.516 3.074 40 0 HGABRN COc1ccc(-c2noc(CN(C)C(=O)COc3cccc(Cl)c3)n2)c(OC)c1 ZINC000222772846 568526112 /nfs/dbraw/zinc/52/61/12/568526112.db2.gz WQLJKFQZXNRPMR-UHFFFAOYSA-N 0 0 417.849 3.445 40 0 HGABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000222774841 568526194 /nfs/dbraw/zinc/52/61/94/568526194.db2.gz LSYYXWVKBSIPOX-IBGZPJMESA-N 0 0 403.482 3.194 40 0 HGABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccccc1C ZINC000222779602 568526318 /nfs/dbraw/zinc/52/63/18/568526318.db2.gz PTPZWMNRFLUUJA-KRWDZBQOSA-N 0 0 400.544 3.400 40 0 HGABRN C[C@H](C(=O)NCc1cccc2ccccc21)N(c1ccccc1F)S(C)(=O)=O ZINC000222882850 568529434 /nfs/dbraw/zinc/52/94/34/568529434.db2.gz ZIGSKHHAMAEGCV-OAHLLOKOSA-N 0 0 400.475 3.450 40 0 HGABRN COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4ccnc4)cc3)n2)cc1 ZINC000222926360 568531116 /nfs/dbraw/zinc/53/11/16/568531116.db2.gz PSYIHCYZUTWCBM-UHFFFAOYSA-N 0 0 403.442 3.262 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCC1=CCCCC1 ZINC000222927647 568531271 /nfs/dbraw/zinc/53/12/71/568531271.db2.gz UXFGEJDGMGDXIN-UHFFFAOYSA-N 0 0 420.575 3.419 40 0 HGABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222980755 568532986 /nfs/dbraw/zinc/53/29/86/568532986.db2.gz XMNOXGKFIGXQFU-OAHLLOKOSA-N 0 0 400.450 3.040 40 0 HGABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000222982114 568533116 /nfs/dbraw/zinc/53/31/16/568533116.db2.gz XROKZBFYJVABLD-INIZCTEOSA-N 0 0 412.486 3.258 40 0 HGABRN CCn1c2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2oc1=O ZINC000223031508 568534905 /nfs/dbraw/zinc/53/49/05/568534905.db2.gz QYIAOUMVRWSALR-UHFFFAOYSA-N 0 0 423.288 3.128 40 0 HGABRN CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1C ZINC000223052520 568535653 /nfs/dbraw/zinc/53/56/53/568535653.db2.gz FPMLKZKEHFDSTF-UHFFFAOYSA-N 0 0 402.516 3.324 40 0 HGABRN COc1ccccc1CNC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000223073626 568536504 /nfs/dbraw/zinc/53/65/04/568536504.db2.gz GZBOSFXKMJPATE-UHFFFAOYSA-N 0 0 404.513 3.236 40 0 HGABRN COC(=O)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 ZINC000223137941 568539148 /nfs/dbraw/zinc/53/91/48/568539148.db2.gz FGPJPYHYCXJZDR-UHFFFAOYSA-N 0 0 403.938 3.329 40 0 HGABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(OC)c(C)c3C)n2)cc1 ZINC000223141211 568539268 /nfs/dbraw/zinc/53/92/68/568539268.db2.gz UINSSXVTQGDHAX-UHFFFAOYSA-N 0 0 417.487 3.191 40 0 HGABRN C[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)CCC2 ZINC000223167179 568539811 /nfs/dbraw/zinc/53/98/11/568539811.db2.gz OTBBGTADUUTOPD-CQSZACIVSA-N 0 0 406.935 3.472 40 0 HGABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(C)=O ZINC000223191801 568540594 /nfs/dbraw/zinc/54/05/94/568540594.db2.gz PIRSFIITBIRWEU-JOCHJYFZSA-N 0 0 400.494 3.328 40 0 HGABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 ZINC000223192775 568540694 /nfs/dbraw/zinc/54/06/94/568540694.db2.gz AKWGVBPBAONUNA-NHCUHLMSSA-N 0 0 413.591 3.159 40 0 HGABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCCOC ZINC000223193396 568540765 /nfs/dbraw/zinc/54/07/65/568540765.db2.gz NLJOGYZSNZUVRC-OAQYLSRUSA-N 0 0 400.494 3.328 40 0 HGABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 ZINC000223192959 568540775 /nfs/dbraw/zinc/54/07/75/568540775.db2.gz AKWGVBPBAONUNA-SFTDATJTSA-N 0 0 413.591 3.159 40 0 HGABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C[C@@H]1CCCO1 ZINC000223295540 568544378 /nfs/dbraw/zinc/54/43/78/568544378.db2.gz NGKHULDQHTYIKC-ORYQWCPZSA-N 0 0 405.527 3.419 40 0 HGABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C ZINC000223306436 568544752 /nfs/dbraw/zinc/54/47/52/568544752.db2.gz WRNFINVZKZZPCA-DZFGPLHGSA-N 0 0 414.575 3.298 40 0 HGABRN CCc1ccc(N(CC(=O)NCc2cc(CC)ccc2CC)S(C)(=O)=O)cc1 ZINC000223320218 568545084 /nfs/dbraw/zinc/54/50/84/568545084.db2.gz MYQSOASKXMZRNV-UHFFFAOYSA-N 0 0 402.560 3.456 40 0 HGABRN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Br)c(Cl)cc21 ZINC000223343880 568545886 /nfs/dbraw/zinc/54/58/86/568545886.db2.gz JMIWCRUVYNHPOO-UHFFFAOYSA-N 0 0 417.668 3.348 40 0 HGABRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000223353271 568546182 /nfs/dbraw/zinc/54/61/82/568546182.db2.gz ULDAKJXXNRFSSA-LLVKDONJSA-N 0 0 422.919 3.483 40 0 HGABRN Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)s2)cc1 ZINC000223380361 568547048 /nfs/dbraw/zinc/54/70/48/568547048.db2.gz SPVGLJQDEOELAE-UHFFFAOYSA-N 0 0 402.501 3.446 40 0 HGABRN CCN(c1ccc2sc(C(=O)NCCOC)cc2c1)S(=O)(=O)c1ccccc1 ZINC000223393865 568547326 /nfs/dbraw/zinc/54/73/26/568547326.db2.gz YWUGDNHUADJSRK-UHFFFAOYSA-N 0 0 418.540 3.493 40 0 HGABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1cccc(Cl)c1 ZINC000223414133 568548040 /nfs/dbraw/zinc/54/80/40/568548040.db2.gz HJXBKAMLUMJCCB-IBGZPJMESA-N 0 0 404.894 3.281 40 0 HGABRN Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C ZINC000223477587 568549958 /nfs/dbraw/zinc/54/99/58/568549958.db2.gz CBJQXSDAUMKGBW-GOSISDBHSA-N 0 0 416.543 3.124 40 0 HGABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC ZINC000223515362 568550791 /nfs/dbraw/zinc/55/07/91/568550791.db2.gz WVAAXYMEVKDHBT-LJQANCHMSA-N 0 0 412.530 3.450 40 0 HGABRN COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2cccnc2)c2ccccc2)cc1 ZINC000223542946 568551307 /nfs/dbraw/zinc/55/13/07/568551307.db2.gz KJIUGACJHKPMQX-QHCPKHFHSA-N 0 0 403.482 3.496 40 0 HGABRN O=C(NCCOc1cccc2ccccc21)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000223560320 568551808 /nfs/dbraw/zinc/55/18/08/568551808.db2.gz CTFJVTFSXBBPON-UHFFFAOYSA-N 0 0 424.522 3.433 40 0 HGABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223589416 568552506 /nfs/dbraw/zinc/55/25/06/568552506.db2.gz QTFDFMSFYHWVTR-SFHVURJKSA-N 0 0 410.514 3.252 40 0 HGABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)c(OC)cc3C)n2)cc1 ZINC000223594058 568552700 /nfs/dbraw/zinc/55/27/00/568552700.db2.gz MLBBWJFZPIOYJB-UHFFFAOYSA-N 0 0 417.487 3.191 40 0 HGABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223601698 568552956 /nfs/dbraw/zinc/55/29/56/568552956.db2.gz YJSFTZZQFQEHOX-WOJBJXKFSA-N 0 0 423.494 3.093 40 0 HGABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1Cc1cccnc1 ZINC000223606362 568553140 /nfs/dbraw/zinc/55/31/40/568553140.db2.gz WSOZLGTVHXNQEQ-VXKWHMMOSA-N 0 0 421.570 3.298 40 0 HGABRN COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO ZINC000223609172 568553306 /nfs/dbraw/zinc/55/33/06/568553306.db2.gz GQKFOWCXXXCXJX-RTWAWAEBSA-N 0 0 408.527 3.236 40 0 HGABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc(C)ccc3C)n2)cc1OC ZINC000223620917 568553606 /nfs/dbraw/zinc/55/36/06/568553606.db2.gz FRXZQUKSUGFUPL-UHFFFAOYSA-N 0 0 417.487 3.191 40 0 HGABRN CS(=O)(=O)N(CC(=O)NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000223637311 568554359 /nfs/dbraw/zinc/55/43/59/568554359.db2.gz FCRXFOLVYKQDDC-UHFFFAOYSA-N 0 0 401.315 3.118 40 0 HGABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3Cl)n2)c1 ZINC000223642629 568554522 /nfs/dbraw/zinc/55/45/22/568554522.db2.gz NJNWNEIUPCNNGA-UHFFFAOYSA-N 0 0 407.879 3.360 40 0 HGABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000223652877 568554992 /nfs/dbraw/zinc/55/49/92/568554992.db2.gz JTSWFZWFNIXKPT-SFHVURJKSA-N 0 0 402.516 3.034 40 0 HGABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000223696309 568556454 /nfs/dbraw/zinc/55/64/54/568556454.db2.gz KQQIOOVSVPCLKP-NHCUHLMSSA-N 0 0 406.511 3.408 40 0 HGABRN CCOc1cc(CNS(=O)(=O)c2ccc(Br)cc2)ccc1OC ZINC000223696950 568556539 /nfs/dbraw/zinc/55/65/39/568556539.db2.gz XPURGQLJCAUGST-UHFFFAOYSA-N 0 0 400.294 3.335 40 0 HGABRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1 ZINC000223707938 568556938 /nfs/dbraw/zinc/55/69/38/568556938.db2.gz DHMHHUROYJPWRK-LBPRGKRZSA-N 0 0 424.544 3.424 40 0 HGABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223711738 568556957 /nfs/dbraw/zinc/55/69/57/568556957.db2.gz JTLPPRIZHQUELE-SFTDATJTSA-N 0 0 421.526 3.193 40 0 HGABRN COc1ccc(CNS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(OC)c1 ZINC000223717211 568557195 /nfs/dbraw/zinc/55/71/95/568557195.db2.gz KUKSETUORWMQIX-UHFFFAOYSA-N 0 0 406.287 3.498 40 0 HGABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000223727008 568557528 /nfs/dbraw/zinc/55/75/28/568557528.db2.gz YJLJWDLMEITJFG-HNNXBMFYSA-N 0 0 404.894 3.281 40 0 HGABRN CN(c1cccc(C(=O)NCCOc2ccccc2C(C)(C)C)c1)S(C)(=O)=O ZINC000223729259 568557619 /nfs/dbraw/zinc/55/76/19/568557619.db2.gz FXPMCDRGJJHECO-UHFFFAOYSA-N 0 0 404.532 3.189 40 0 HGABRN CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223764599 568558378 /nfs/dbraw/zinc/55/83/78/568558378.db2.gz MQIACNDUQJEHSB-UHFFFAOYSA-N 0 0 409.489 3.026 40 0 HGABRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 ZINC000223769701 568558645 /nfs/dbraw/zinc/55/86/45/568558645.db2.gz JXWXDHQXVZAQON-UHFFFAOYSA-N 0 0 404.532 3.405 40 0 HGABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1C ZINC000223824696 568560005 /nfs/dbraw/zinc/56/00/05/568560005.db2.gz VVSFXSUGQDZYIH-UHFFFAOYSA-N 0 0 402.472 3.018 40 0 HGABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c(C)c1 ZINC000223832384 568560185 /nfs/dbraw/zinc/56/01/85/568560185.db2.gz RETMGEOGSRPUPA-UHFFFAOYSA-N 0 0 411.863 3.413 40 0 HGABRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1Cl ZINC000223834297 568560327 /nfs/dbraw/zinc/56/03/27/568560327.db2.gz FWRGALDBJRGXAN-UHFFFAOYSA-N 0 0 422.890 3.363 40 0 HGABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000223847095 568560691 /nfs/dbraw/zinc/56/06/91/568560691.db2.gz IMGKBROJXDCXFF-UHFFFAOYSA-N 0 0 422.890 3.227 40 0 HGABRN CC(C)Oc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000223850502 568560841 /nfs/dbraw/zinc/56/08/41/568560841.db2.gz CGNVFVAAKOATSU-UHFFFAOYSA-N 0 0 424.950 3.205 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(=O)N1CCCC1 ZINC000223870667 568561403 /nfs/dbraw/zinc/56/14/03/568561403.db2.gz NVWUEMJMBXUEBG-UHFFFAOYSA-N 0 0 422.934 3.405 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1C(=O)N1CCCCC1 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3.468 40 0 HGABRN C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN(c1ncnc3ccccc31)C2 ZINC000585103764 559025773 /nfs/dbraw/zinc/02/57/73/559025773.db2.gz GJDBJNHMNSSANE-KOSHJBKYSA-N 0 0 402.498 3.446 40 0 HGABRN O=C(Cc1ccccn1)N1CCC2(CN(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000585103006 559026435 /nfs/dbraw/zinc/02/64/35/559026435.db2.gz BFKAVAAZBCOCPM-UHFFFAOYSA-N 0 0 404.514 3.220 40 0 HGABRN Cc1noc(C)c1C(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC1CC1 ZINC000585107377 559027808 /nfs/dbraw/zinc/02/78/08/559027808.db2.gz UJEIUQDUBOBVFR-QHCPKHFHSA-N 0 0 403.486 3.449 40 0 HGABRN CC(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccccn1)C2 ZINC000585107531 559028035 /nfs/dbraw/zinc/02/80/35/559028035.db2.gz ZFOFZPRHNMOIFM-DEOSSOPVSA-N 0 0 401.514 3.414 40 0 HGABRN COc1ccc(OCC(=O)N2CCc3[nH]nc(-c4ccc(OC)cc4)c3CC2)cc1 ZINC000585110370 559030269 /nfs/dbraw/zinc/03/02/69/559030269.db2.gz LIZFHNXDSHAORG-UHFFFAOYSA-N 0 0 407.470 3.100 40 0 HGABRN COCCOc1nc(-c2ccccc2)nc2c1CCN(C(=O)c1ccccc1)CC2 ZINC000585111102 559031633 /nfs/dbraw/zinc/03/16/33/559031633.db2.gz DOCAYPZVMRLZJG-UHFFFAOYSA-N 0 0 403.482 3.410 40 0 HGABRN CC(=O)Nc1cccc(-c2cnc3n2CCN(C(=O)c2sc(C)nc2C)CC3)c1 ZINC000585111156 559031729 /nfs/dbraw/zinc/03/17/29/559031729.db2.gz HCIRPJZEWFQTAN-UHFFFAOYSA-N 0 0 409.515 3.280 40 0 HGABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000040718122 559064612 /nfs/dbraw/zinc/06/46/12/559064612.db2.gz SMYHQAQADVAOEV-UHFFFAOYSA-N 0 0 418.877 3.289 40 0 HGABRN CN1CC(=O)N(c2ccccc2)C[C@]12CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096050240 559092060 /nfs/dbraw/zinc/09/20/60/559092060.db2.gz ALELOEWSBDQFCB-OAQYLSRUSA-N 0 0 417.431 3.269 40 0 HGABRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000096050289 559092082 /nfs/dbraw/zinc/09/20/82/559092082.db2.gz MNROKKBMHBLPCE-NRFANRHFSA-N 0 0 401.869 3.042 40 0 HGABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000096053074 559092914 /nfs/dbraw/zinc/09/29/14/559092914.db2.gz DLBWPEGFNKXHBL-KRWDZBQOSA-N 0 0 404.576 3.258 40 0 HGABRN O=C(c1ccc2ncccc2c1)N1CCC[C@@]2(C1)COCCN(c1cccnc1)C2 ZINC000096076460 559094598 /nfs/dbraw/zinc/09/45/98/559094598.db2.gz MSURNKRJIDQHMJ-XMMPIXPASA-N 0 0 402.498 3.389 40 0 HGABRN C[C@@H]1CN(C(=O)NCc2ccccc2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC000096087421 559095057 /nfs/dbraw/zinc/09/50/57/559095057.db2.gz BSFZYYBQXFAIEY-LLBVYWAGSA-N 0 0 408.502 3.190 40 0 HGABRN COc1cccc(C(=O)N2CCc3nc(C(=O)Nc4cccnc4)sc3CC2)c1 ZINC000096146918 559098138 /nfs/dbraw/zinc/09/81/38/559098138.db2.gz DKSYOHANZFAQGO-UHFFFAOYSA-N 0 0 408.483 3.040 40 0 HGABRN Cc1nc(-c2nc(C(=O)NC[C@@H]3CCCO3)c3ccccn32)cn1Cc1ccccc1 ZINC000096155166 559099484 /nfs/dbraw/zinc/09/94/84/559099484.db2.gz BLDOEXMDKGMMDZ-IBGZPJMESA-N 0 0 415.497 3.463 40 0 HGABRN CC(=O)N1C[C@H](c2ncn(C(C)C)n2)c2cc(C(=O)NCc3ccc(F)cc3)ccc21 ZINC000096156342 559100488 /nfs/dbraw/zinc/10/04/88/559100488.db2.gz AMSOSXCNQBQWHZ-FQEVSTJZSA-N 0 0 421.476 3.427 40 0 HGABRN CCCNC(=O)c1ccc2c(c1)[C@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 ZINC000096156413 559100497 /nfs/dbraw/zinc/10/04/97/559100497.db2.gz JDXKNLPNXZOMMQ-GOSISDBHSA-N 0 0 418.501 3.186 40 0 HGABRN Cc1noc(C)c1CN1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000096216040 559101922 /nfs/dbraw/zinc/10/19/22/559101922.db2.gz IPNUHFHEZQWMNE-NRFANRHFSA-N 0 0 403.548 3.277 40 0 HGABRN CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(c2ccc(C)nn2)C3)cc1 ZINC000096217059 559101997 /nfs/dbraw/zinc/10/19/97/559101997.db2.gz VTGJUVCTZUNGBD-OAQYLSRUSA-N 0 0 400.548 3.029 40 0 HGABRN Cc1ccc(CNC(=O)C2=NO[C@]3(C2)CCCN(C(=O)NC2CCCCC2)C3)cc1 ZINC000096225387 559102393 /nfs/dbraw/zinc/10/23/93/559102393.db2.gz NIEYJPRVNAXCKK-QHCPKHFHSA-N 0 0 412.534 3.264 40 0 HGABRN CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000096238147 559103302 /nfs/dbraw/zinc/10/33/02/559103302.db2.gz VSUUJVSOTXAUKA-LJQANCHMSA-N 0 0 423.460 3.330 40 0 HGABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)Oc2ccccc21 ZINC000096243287 559104680 /nfs/dbraw/zinc/10/46/80/559104680.db2.gz BMCPMDWSFJIXRA-QGZVFWFLSA-N 0 0 420.575 3.138 40 0 HGABRN Cc1ccc(CS(=O)(=O)N2CCc3c(CN4CCCC4)nn(C(C)C)c3C2)cc1 ZINC000096255951 559105939 /nfs/dbraw/zinc/10/59/39/559105939.db2.gz FXEOFBBMIHDNCJ-UHFFFAOYSA-N 0 0 416.591 3.256 40 0 HGABRN Cc1ccccc1C(=O)N1CCC2(CC1)c1ncc(-c3cccnc3)n1CCN2C ZINC000096263327 559107129 /nfs/dbraw/zinc/10/71/29/559107129.db2.gz WMRCYINAHSTMDR-UHFFFAOYSA-N 0 0 401.514 3.330 40 0 HGABRN C[C@H]1CN(C(=O)c2cc(-c3cnc(NCc4ccccc4)nc3)cn2C)C[C@H](C)O1 ZINC000096266350 559107752 /nfs/dbraw/zinc/10/77/52/559107752.db2.gz XVEROEZTFDHZLP-IRXDYDNUSA-N 0 0 405.502 3.344 40 0 HGABRN Cc1nc(-c2cc(C(=O)N3CCC[C@H](O)C3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266828 559107833 /nfs/dbraw/zinc/10/78/33/559107833.db2.gz CPWSFACPBBTOPD-IBGZPJMESA-N 0 0 415.497 3.151 40 0 HGABRN NC(=O)C[C@]1(COc2cccc(Cl)c2)CN(Cc2cccc3[nH]ccc32)CCO1 ZINC000585272263 559118030 /nfs/dbraw/zinc/11/80/30/559118030.db2.gz MQNHLCSXEOJGBT-JOCHJYFZSA-N 0 0 413.905 3.347 40 0 HGABRN Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)ncn2)s1 ZINC000585291394 559123733 /nfs/dbraw/zinc/12/37/33/559123733.db2.gz CBOGFRNYHDDGGT-JFDDCEBESA-N 0 0 423.546 3.213 40 0 HGABRN Cc1cccnc1Nc1cc(CC2CCN(C(=O)/C=C/c3ccnn3C)CC2)ncn1 ZINC000585291915 559124408 /nfs/dbraw/zinc/12/44/08/559124408.db2.gz GZZRJROSFOYJPF-AATRIKPKSA-N 0 0 417.517 3.152 40 0 HGABRN Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)nc(C)n2)n1 ZINC000585292236 559124741 /nfs/dbraw/zinc/12/47/41/559124741.db2.gz YWIBTCVJHDUDMM-KBOKABMXSA-N 0 0 403.490 3.375 40 0 HGABRN Cc1cc(C)nc(Nc2cc(C3CCN(C(=O)/C=C/c4ccnn4C)CC3)ccn2)n1 ZINC000585292349 559124828 /nfs/dbraw/zinc/12/48/28/559124828.db2.gz KYQWMCSKHSLHOR-SNAWJCMRSA-N 0 0 417.517 3.385 40 0 HGABRN O=C(COc1ccccc1F)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1 ZINC000100156107 559131074 /nfs/dbraw/zinc/13/10/74/559131074.db2.gz BZWUPUABZCDVKF-GASCZTMLSA-N 0 0 411.437 3.135 40 0 HGABRN COc1ccc(CC(=O)N2Cc3[nH]c4cc(-c5ccc(F)cc5)nn4c(=O)c3C2)cc1 ZINC000100215584 559132081 /nfs/dbraw/zinc/13/20/81/559132081.db2.gz NNAVLFIINZCXTD-UHFFFAOYSA-N 0 0 418.428 3.335 40 0 HGABRN CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc(O)c1 ZINC000101998750 559148838 /nfs/dbraw/zinc/14/88/38/559148838.db2.gz AGQCMGOCQVNZSM-SCYDXJQRSA-N 0 0 420.502 3.115 40 0 HGABRN COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(C)c(Cl)c3)C1=O)CC2 ZINC000102332191 559150046 /nfs/dbraw/zinc/15/00/46/559150046.db2.gz XQXZJHMELSJZTG-SFHVURJKSA-N 0 0 414.889 3.356 40 0 HGABRN CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2C=CC=NN21 ZINC000103537764 559156168 /nfs/dbraw/zinc/15/61/68/559156168.db2.gz PBCZZUVKQDBLBP-LVQVYYBASA-N 0 0 420.296 3.323 40 0 HGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)c2cccc(C)c2)cc1 ZINC000044792662 559173401 /nfs/dbraw/zinc/17/34/01/559173401.db2.gz DFEILBPPLNCVJB-UHFFFAOYSA-N 0 0 409.511 3.210 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(C)cc3)C2)cc1 ZINC000044885254 559173798 /nfs/dbraw/zinc/17/37/98/559173798.db2.gz OPMSFPHJQLVQTM-IEBWSBKVSA-N 0 0 416.543 3.282 40 0 HGABRN CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1 ZINC000113874647 559181688 /nfs/dbraw/zinc/18/16/88/559181688.db2.gz JADZMKRVYIIQOD-UHFFFAOYSA-N 0 0 416.268 3.347 40 0 HGABRN COC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 ZINC000113873521 559181692 /nfs/dbraw/zinc/18/16/92/559181692.db2.gz UKDMJIPHRKUEGK-UHFFFAOYSA-N 0 0 418.696 3.471 40 0 HGABRN CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000113877320 559181819 /nfs/dbraw/zinc/18/18/19/559181819.db2.gz BAWBPEYFIDFNGK-UHFFFAOYSA-N 0 0 416.268 3.347 40 0 HGABRN COC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000113882122 559181862 /nfs/dbraw/zinc/18/18/62/559181862.db2.gz UTDFCHSJHGCEBW-UHFFFAOYSA-N 0 0 412.305 3.434 40 0 HGABRN CCOc1ccccc1CNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000113956352 559183168 /nfs/dbraw/zinc/18/31/68/559183168.db2.gz IDWMOOBDTJLNGL-UHFFFAOYSA-N 0 0 404.532 3.256 40 0 HGABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000113956662 559183275 /nfs/dbraw/zinc/18/32/75/559183275.db2.gz BFZMCNRFFQGLAX-OLZOCXBDSA-N 0 0 412.458 3.005 40 0 HGABRN CCOc1ccccc1CNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000113965732 559184410 /nfs/dbraw/zinc/18/44/10/559184410.db2.gz NWCBBMOWEJPPNS-UHFFFAOYSA-N 0 0 408.495 3.087 40 0 HGABRN CCOc1ccccc1CNC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O ZINC000113967513 559184891 /nfs/dbraw/zinc/18/48/91/559184891.db2.gz URZADHLARZNSQN-KRWDZBQOSA-N 0 0 408.495 3.085 40 0 HGABRN COc1cccc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3cccnc3)c2)c1 ZINC000072351726 559185718 /nfs/dbraw/zinc/18/57/18/559185718.db2.gz JFMCVCWZRQERSZ-QHCPKHFHSA-N 0 0 415.493 3.283 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)cc1C ZINC000000813987 559281063 /nfs/dbraw/zinc/28/10/63/559281063.db2.gz MATYABKXEMXKCT-UHFFFAOYSA-N 0 0 402.516 3.351 40 0 HGABRN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCn3ccnc3)CCCO2)c1 ZINC000257225678 559283791 /nfs/dbraw/zinc/28/37/91/559283791.db2.gz FHHNWFXXFRIEFP-XMMPIXPASA-N 0 0 405.498 3.467 40 0 HGABRN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3ccncc3Cl)C[C@H]21 ZINC000514288666 560034498 /nfs/dbraw/zinc/03/44/98/560034498.db2.gz PZVZGSXKHIJAMP-WBVHZDCISA-N 0 0 411.811 3.471 40 0 biogenic,in-vitro HGABRN O=C(Cc1ccc(Cl)cc1)N[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](O)[C@H]1O ZINC000072321777 560077437 /nfs/dbraw/zinc/07/74/37/560077437.db2.gz KGOUPJBDXDSOSF-PSBWJHGTSA-N 0 0 413.823 3.295 40 0 biogenic,in-vitro HGABRN COc1ccc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1 ZINC000035424577 560081161 /nfs/dbraw/zinc/08/11/61/560081161.db2.gz QCILVCJZIMVCMY-FQEVSTJZSA-N 0 0 421.501 3.314 40 0 biogenic,in-vitro HGABRN COc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000878829 560538051 /nfs/dbraw/zinc/53/80/51/560538051.db2.gz DZOPEIYCWSVOMI-UHFFFAOYSA-N 0 0 411.527 3.345 40 0 HGABRN Cc1cc(C)nc(SCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)n1 ZINC000000883012 560540090 /nfs/dbraw/zinc/54/00/90/560540090.db2.gz MRGFORVBXMKRCO-SWLSCSKDSA-N 0 0 420.608 3.301 40 0 HGABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCCCC1 ZINC000000911306 560546227 /nfs/dbraw/zinc/54/62/27/560546227.db2.gz XMZPAKWBFPSJPZ-LJQANCHMSA-N 0 0 410.522 3.244 40 0 HGABRN O=C(N1CC2(C1)CC[C@@H](CN1CCCCC1=O)CO2)C12CC3CC(CC(C3)C1)C2 ZINC000575403089 560546900 /nfs/dbraw/zinc/54/69/00/560546900.db2.gz INPFWXNSXHTLEJ-JLEDNIFVSA-N 0 0 400.563 3.223 40 0 HGABRN Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)c4ccc5c(ccn5C)c4)C3)C2)n1 ZINC000575406684 560547529 /nfs/dbraw/zinc/54/75/29/560547529.db2.gz ZTMVJVBAXAXBHL-OAQYLSRUSA-N 0 0 405.498 3.472 40 0 HGABRN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)NCc1ccco1 ZINC000000919671 560554720 /nfs/dbraw/zinc/55/47/20/560554720.db2.gz TYVHUMIIWNNPJR-UHFFFAOYSA-N 0 0 424.482 3.500 40 0 HGABRN O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000095475468 560558276 /nfs/dbraw/zinc/55/82/76/560558276.db2.gz CINBZKSZUDJVRV-CEXWTWQISA-N 0 0 415.965 3.487 40 0 HGABRN CCOc1cccc(OCC)c1NC(=O)CSc1nc2ccccc2c(=O)n1C ZINC000000933489 560559123 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3.406 40 0 HGABRN Cc1cc(-c2snnc2[C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)on1 ZINC000013225983 558526533 /nfs/dbraw/zinc/52/65/33/558526533.db2.gz YGFFCZIOHKDYTM-AWEZNQCLSA-N 0 0 401.492 3.445 40 0 HGABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ncnc3[nH]cnc31)CCCC2 ZINC000013578864 558544241 /nfs/dbraw/zinc/54/42/41/558544241.db2.gz IGPLHJGPNSWAFT-VIFPVBQESA-N 0 0 417.516 3.199 40 0 HGABRN CCN(CC(=O)Nc1ccc(C)c(Cl)c1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581190 558544748 /nfs/dbraw/zinc/54/47/48/558544748.db2.gz XIMWMRCLPOWNLI-UHFFFAOYSA-N 0 0 414.886 3.445 40 0 HGABRN COc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581749 558544959 /nfs/dbraw/zinc/54/49/59/558544959.db2.gz FFFQMXPWRACMLE-UHFFFAOYSA-N 0 0 424.522 3.146 40 0 HGABRN CCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000013581932 558545081 /nfs/dbraw/zinc/54/50/81/558545081.db2.gz XWBIYMXGEZJRDW-MRXNPFEDSA-N 0 0 404.532 3.135 40 0 HGABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000013632067 558552504 /nfs/dbraw/zinc/55/25/04/558552504.db2.gz GVBHJBXZNFTTJL-UHFFFAOYSA-N 0 0 424.906 3.230 40 0 HGABRN O=C1C[C@H](Sc2nnc3sc4ccccc4n23)C(=O)N1c1ccc2c(c1)OCO2 ZINC000013638520 558555046 /nfs/dbraw/zinc/55/50/46/558555046.db2.gz TYEMCMSXTNFOCU-HNNXBMFYSA-N 0 0 424.463 3.097 40 0 HGABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000013647285 558557246 /nfs/dbraw/zinc/55/72/46/558557246.db2.gz LGYPSTBMVLPBKP-INIZCTEOSA-N 0 0 418.515 3.273 40 0 HGABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000013648464 558557755 /nfs/dbraw/zinc/55/77/55/558557755.db2.gz DIWNGRRRGNFZRR-UHFFFAOYSA-N 0 0 418.515 3.193 40 0 HGABRN CCOc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)S(C)(=O)=O)cc1 ZINC000013671209 558562553 /nfs/dbraw/zinc/56/25/53/558562553.db2.gz DMOOHHQTAWCVQX-HOTGVXAUSA-N 0 0 402.516 3.218 40 0 HGABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000013671666 558562798 /nfs/dbraw/zinc/56/27/98/558562798.db2.gz ISAPJROCHKDOAS-CQSZACIVSA-N 0 0 422.478 3.104 40 0 HGABRN CCOc1ccc(CNC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000013672629 558563182 /nfs/dbraw/zinc/56/31/82/558563182.db2.gz XBQWHYPBIAKMOR-HNNXBMFYSA-N 0 0 410.495 3.452 40 0 HGABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@@H](C)C2)c2ccc(F)cc2)cc1 ZINC000013672633 558563198 /nfs/dbraw/zinc/56/31/98/558563198.db2.gz ZAZLGVOHGKDUJL-MRXNPFEDSA-N 0 0 420.506 3.288 40 0 HGABRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000013676472 558564630 /nfs/dbraw/zinc/56/46/30/558564630.db2.gz QBCQCDZIGNOZFY-UHFFFAOYSA-N 0 0 416.543 3.498 40 0 HGABRN CCN(CC)C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000013678624 558565344 /nfs/dbraw/zinc/56/53/44/558565344.db2.gz KCKFXFGLVPVTBC-UHFFFAOYSA-N 0 0 407.363 3.404 40 0 HGABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccccn2)cc1 ZINC000013682352 558567232 /nfs/dbraw/zinc/56/72/32/558567232.db2.gz NLYDWGJQDMJKSO-UHFFFAOYSA-N 0 0 413.474 3.117 40 0 HGABRN Cc1ccc(C)c(N([C@@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 ZINC000013682846 558567719 /nfs/dbraw/zinc/56/77/19/558567719.db2.gz WITFWUXCEZPPRV-INIZCTEOSA-N 0 0 410.561 3.101 40 0 HGABRN CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714367 558577983 /nfs/dbraw/zinc/57/79/83/558577983.db2.gz COZGOCYTKYIPEJ-LJQANCHMSA-N 0 0 424.950 3.252 40 0 HGABRN CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714257 558578001 /nfs/dbraw/zinc/57/80/01/558578001.db2.gz NWTNCEGXHBJZBI-KRWDZBQOSA-N 0 0 424.906 3.310 40 0 HGABRN CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715251 558578736 /nfs/dbraw/zinc/57/87/36/558578736.db2.gz CWSYMQCALSWPOO-GOSISDBHSA-N 0 0 422.478 3.186 40 0 HGABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716330 558579397 /nfs/dbraw/zinc/57/93/97/558579397.db2.gz HBGCXPMTDFVIBA-KRWDZBQOSA-N 0 0 404.488 3.215 40 0 HGABRN CCn1nnc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000038199877 558639977 /nfs/dbraw/zinc/63/99/77/558639977.db2.gz FFHOVUBBHMNASY-CSKARUKUSA-N 0 0 402.867 3.133 40 0 HGABRN COc1ccc(C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291798 558651743 /nfs/dbraw/zinc/65/17/43/558651743.db2.gz IDZNISURSNVDSO-UHFFFAOYSA-N 0 0 402.516 3.108 40 0 HGABRN COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCCC1 ZINC000014291817 558651940 /nfs/dbraw/zinc/65/19/40/558651940.db2.gz SPAJTKWTORCTAN-UHFFFAOYSA-N 0 0 410.442 3.400 40 0 HGABRN COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1I ZINC000027530688 558674321 /nfs/dbraw/zinc/67/43/21/558674321.db2.gz JDYUTEXKOSCGSI-ZWNOBZJWSA-N 0 0 409.289 3.157 40 0 HGABRN CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000015083563 558719740 /nfs/dbraw/zinc/71/97/40/558719740.db2.gz YMQODOBTBXGCMV-UHFFFAOYSA-N 0 0 416.543 3.145 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2OC)cc1C ZINC000030332721 558728842 /nfs/dbraw/zinc/72/88/42/558728842.db2.gz LVOPHARZLNYDFL-UHFFFAOYSA-N 0 0 406.504 3.052 40 0 HGABRN O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000030605304 558733965 /nfs/dbraw/zinc/73/39/65/558733965.db2.gz AEQCKCDZBMYWJM-GOSISDBHSA-N 0 0 413.543 3.326 40 0 HGABRN CC(C)C[C@@H](NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O)c1ccccc1 ZINC000030754215 558736748 /nfs/dbraw/zinc/73/67/48/558736748.db2.gz GXRWHAHJEOYYEV-GOSISDBHSA-N 0 0 418.515 3.085 40 0 HGABRN CSc1cccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000030757194 558737528 /nfs/dbraw/zinc/73/75/28/558737528.db2.gz QKZPXLSGTWXBAD-INIZCTEOSA-N 0 0 412.920 3.228 40 0 HGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)N1CCCCC1 ZINC000030758764 558737729 /nfs/dbraw/zinc/73/77/29/558737729.db2.gz ZRHSFMQJJKTTGK-OAHLLOKOSA-N 0 0 420.506 3.500 40 0 HGABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000030847771 558739329 /nfs/dbraw/zinc/73/93/29/558739329.db2.gz BEBWPGUIQGTTCQ-UHFFFAOYSA-N 0 0 408.907 3.063 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(=O)N1CCCCC1 ZINC000030853364 558740461 /nfs/dbraw/zinc/74/04/61/558740461.db2.gz JCSFFEUSZZDFIN-UHFFFAOYSA-N 0 0 416.543 3.450 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(C)cc3)C2)cc1 ZINC000030853865 558740618 /nfs/dbraw/zinc/74/06/18/558740618.db2.gz FYDWNGVHKKRJHR-LJQANCHMSA-N 0 0 416.543 3.063 40 0 HGABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000030939268 558745364 /nfs/dbraw/zinc/74/53/64/558745364.db2.gz CBZBUEOEOYQKKQ-UHFFFAOYSA-N 0 0 412.515 3.214 40 0 HGABRN O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000031302861 558749359 /nfs/dbraw/zinc/74/93/59/558749359.db2.gz XDKFIYKOZUTPHL-MRXNPFEDSA-N 0 0 419.572 3.388 40 0 HGABRN O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc(Br)c1 ZINC000032114893 558753753 /nfs/dbraw/zinc/75/37/53/558753753.db2.gz CHXPWQIWVSMWJZ-UHFFFAOYSA-N 0 0 420.332 3.413 40 0 HGABRN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)cc1 ZINC000015894232 558761011 /nfs/dbraw/zinc/76/10/11/558761011.db2.gz OLAUHODKTOCQBC-UDLNLZSMSA-N 0 0 412.530 3.313 40 0 HGABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCOC(C)C)c2)cc1 ZINC000015913568 558761809 /nfs/dbraw/zinc/76/18/09/558761809.db2.gz APRYUZHTCYJSBW-UHFFFAOYSA-N 0 0 404.532 3.365 40 0 HGABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccco2)cc1OC ZINC000033314337 558765886 /nfs/dbraw/zinc/76/58/86/558765886.db2.gz UKUIFGUTJOCGKF-ATVHPVEESA-N 0 0 412.467 3.446 40 0 HGABRN O=C(NCCOc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000016009587 558766284 /nfs/dbraw/zinc/76/62/84/558766284.db2.gz UMFQNXDAFLPSNU-UHFFFAOYSA-N 0 0 422.934 3.323 40 0 HGABRN COc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC000016022766 558768423 /nfs/dbraw/zinc/76/84/23/558768423.db2.gz JVXNEKLYMILLLG-HNNXBMFYSA-N 0 0 400.500 3.071 40 0 HGABRN CCc1cccc(CC)c1NC(=O)CN(CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000016162315 558774921 /nfs/dbraw/zinc/77/49/21/558774921.db2.gz FIMHUWLPOFIALQ-UHFFFAOYSA-N 0 0 404.532 3.469 40 0 HGABRN CCOc1cc(C(=O)NC(=S)Nc2nnc(CC)s2)cc(OCC)c1OCC ZINC000016162600 558774997 /nfs/dbraw/zinc/77/49/97/558774997.db2.gz GATOMLQZDRJLDQ-UHFFFAOYSA-N 0 0 424.548 3.423 40 0 HGABRN COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000016227000 558779838 /nfs/dbraw/zinc/77/98/38/558779838.db2.gz HZQZNYJIHQFVQZ-UHFFFAOYSA-N 0 0 424.906 3.151 40 0 HGABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000016479136 558793800 /nfs/dbraw/zinc/79/38/00/558793800.db2.gz CDGVGVMLFKHEMY-UHFFFAOYSA-N 0 0 408.523 3.236 40 0 HGABRN COc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(O)cc4)[C@@H]3C2=O)cc1 ZINC000100919583 558805555 /nfs/dbraw/zinc/80/55/55/558805555.db2.gz CSAGVHLTZREPBO-BDTNDASRSA-N 0 0 416.433 3.452 40 0 HGABRN COc1ccccc1Cn1c(C)cc(NCc2ccc3c(c2)OCO3)c(C=O)c1=O ZINC000016790051 558807279 /nfs/dbraw/zinc/80/72/79/558807279.db2.gz GZQNDNGSGJOIRU-UHFFFAOYSA-N 0 0 406.438 3.367 40 0 HGABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000038753513 558814056 /nfs/dbraw/zinc/81/40/56/558814056.db2.gz IRLBUXHQMSKVAX-IRXDYDNUSA-N 0 0 404.532 3.344 40 0 HGABRN CCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000038756372 558814843 /nfs/dbraw/zinc/81/48/43/558814843.db2.gz KFQMNAZEQNSNSP-UHFFFAOYSA-N 0 0 416.543 3.331 40 0 HGABRN CCCCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000038771322 558815077 /nfs/dbraw/zinc/81/50/77/558815077.db2.gz JCURHYWZOHMXFT-UHFFFAOYSA-N 0 0 416.543 3.444 40 0 HGABRN C[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 ZINC000038832884 558817068 /nfs/dbraw/zinc/81/70/68/558817068.db2.gz FCBVLFPOHPFHBG-QRWLVFNGSA-N 0 0 416.543 3.389 40 0 HGABRN CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985173 558823175 /nfs/dbraw/zinc/82/31/75/558823175.db2.gz GEKNNVHOKUBVPA-UHFFFAOYSA-N 0 0 417.369 3.299 40 0 HGABRN CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039985254 558823270 /nfs/dbraw/zinc/82/32/70/558823270.db2.gz HVORQVSKEZNHFN-UHFFFAOYSA-N 0 0 415.342 3.363 40 0 HGABRN CCCCOC(=O)[C@@H](C)OC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)OCCCC)c1 ZINC000017353453 558827113 /nfs/dbraw/zinc/82/71/13/558827113.db2.gz ONQBNAZNJBHXIL-IYBDPMFKSA-N 0 0 422.474 3.464 40 0 HGABRN COc1ccccc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000017796786 558827878 /nfs/dbraw/zinc/82/78/78/558827878.db2.gz DCTJYXMUXAATDZ-UHFFFAOYSA-N 0 0 416.543 3.063 40 0 HGABRN O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 ZINC000019014746 558836720 /nfs/dbraw/zinc/83/67/20/558836720.db2.gz HZWRPRLSJRYANX-LJQANCHMSA-N 0 0 412.534 3.111 40 0 HGABRN CC(=O)N1CCc2cc(C(=O)CN3CCC[C@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019019171 558837419 /nfs/dbraw/zinc/83/74/19/558837419.db2.gz UHWJZRWCOIZRNI-XMMPIXPASA-N 0 0 410.489 3.291 40 0 HGABRN CC(=O)Nc1ccc(CN2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cc1 ZINC000019022469 558838092 /nfs/dbraw/zinc/83/80/92/558838092.db2.gz BXCCODHGADINKK-INIZCTEOSA-N 0 0 421.950 3.477 40 0 HGABRN CC(C)C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019085685 558841409 /nfs/dbraw/zinc/84/14/09/558841409.db2.gz RIOYEGREETXNKO-LJQANCHMSA-N 0 0 414.550 3.357 40 0 HGABRN CC(=O)N1CC[C@H](c2nc(C)cc(NCC3(c4cccc(F)c4)CCOCC3)n2)C1 ZINC000019118248 558842437 /nfs/dbraw/zinc/84/24/37/558842437.db2.gz YHVHWCRUCROWBH-SFHVURJKSA-N 0 0 412.509 3.420 40 0 HGABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 ZINC000019122557 558843874 /nfs/dbraw/zinc/84/38/74/558843874.db2.gz APRFWKOBKADSIE-KRWDZBQOSA-N 0 0 402.451 3.413 40 0 HGABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)on1 ZINC000019122561 558843892 /nfs/dbraw/zinc/84/38/92/558843892.db2.gz APRFWKOBKADSIE-QGZVFWFLSA-N 0 0 402.451 3.413 40 0 HGABRN Cc1cc2nc([C@@H]3CCCN3C(=O)C[C@]3(C)C(=O)N=C4C=CC=CN43)[nH]c2cc1C ZINC000019125327 558844346 /nfs/dbraw/zinc/84/43/46/558844346.db2.gz AUOAMZHKFUPMDC-FDDCHVKYSA-N 0 0 403.486 3.316 40 0 HGABRN Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@@H]4CCCO4)C3)cc2)cc1 ZINC000019212345 558848768 /nfs/dbraw/zinc/84/87/68/558848768.db2.gz OPZVYEKBQSWESK-DHLKQENFSA-N 0 0 406.526 3.478 40 0 HGABRN COCC(=O)N1CC[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1 ZINC000019212551 558848917 /nfs/dbraw/zinc/84/89/17/558848917.db2.gz AHCQPZZROPBYDP-RUZDIDTESA-N 0 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558874199 /nfs/dbraw/zinc/87/41/99/558874199.db2.gz MJELLKVMQGABFN-XMMPIXPASA-N 0 0 418.472 3.233 40 0 HGABRN O=C(c1ccccc1)[C@@H]([C@@H](c1ccc(Cl)cc1)N1CCOCC1)N1CCOCC1 ZINC000019365985 558876775 /nfs/dbraw/zinc/87/67/75/558876775.db2.gz LQPJSIJIFALWEP-FGZHOGPDSA-N 0 0 414.933 3.297 40 0 HGABRN O=C(N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2)c1cc2c([nH]c1=O)CCC2 ZINC000019370514 558878855 /nfs/dbraw/zinc/87/88/55/558878855.db2.gz UZYBFIYLDAGQMI-NRFANRHFSA-N 0 0 416.477 3.349 40 0 HGABRN O=C(CCn1ccnc1-c1ccccc1)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000019374400 558881265 /nfs/dbraw/zinc/88/12/65/558881265.db2.gz ANNDEJGJTMIBMC-UHFFFAOYSA-N 0 0 415.497 3.114 40 0 HGABRN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1cccc(F)c1 ZINC000019375045 558881444 /nfs/dbraw/zinc/88/14/44/558881444.db2.gz REBYDLXTRCAECG-KWOQKUFVSA-N 0 0 421.472 3.013 40 0 HGABRN O=C(CN1CCN(c2nccs2)CC1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000019375606 558881695 /nfs/dbraw/zinc/88/16/95/558881695.db2.gz KDZMIGQIEUDVIF-WMZOPIPTSA-N 0 0 410.568 3.267 40 0 HGABRN O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CCN(CCc2ccccn2)CC1 ZINC000019401349 558883597 /nfs/dbraw/zinc/88/35/97/558883597.db2.gz FKPIUCHEPNVSCS-UHFFFAOYSA-N 0 0 424.508 3.087 40 0 HGABRN O=C(Cc1cccc(Cl)c1)N1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 ZINC000019402892 558884037 /nfs/dbraw/zinc/88/40/37/558884037.db2.gz VYLJYFZUKSOQMD-UHFFFAOYSA-N 0 0 408.889 3.434 40 0 HGABRN O=S(=O)(c1cccc2cccnc21)N1CCC[C@H](c2nnc(-c3ccccn3)o2)C1 ZINC000019403329 558884238 /nfs/dbraw/zinc/88/42/38/558884238.db2.gz RHITXKPFHJUAFA-INIZCTEOSA-N 0 0 421.482 3.248 40 0 HGABRN CC(C)[C@@H](NC(=O)CCc1ccncc1)c1cc(N(C)C)nc(-c2ccncc2)n1 ZINC000019445687 558885799 /nfs/dbraw/zinc/88/57/99/558885799.db2.gz MDASTBGXQOKHDN-JOCHJYFZSA-N 0 0 404.518 3.446 40 0 HGABRN CC(C)CC(=O)N1CCO[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 ZINC000019446532 558886270 /nfs/dbraw/zinc/88/62/70/558886270.db2.gz COOBJWULGMRHIB-VWLOTQADSA-N 0 0 421.541 3.213 40 0 HGABRN CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5CC=CCC5)CC4)[n-]n3c(=O)c2C1 ZINC000019448127 558887109 /nfs/dbraw/zinc/88/71/09/558887109.db2.gz COFFOGMIMXFEFD-GOSISDBHSA-N 0 0 423.561 3.264 40 0 HGABRN COCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 ZINC000019449249 558887818 /nfs/dbraw/zinc/88/78/18/558887818.db2.gz VPBWWVGSGWMWPT-JOCHJYFZSA-N 0 0 400.544 3.347 40 0 HGABRN CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)[nH]n1 ZINC000019451789 558889879 /nfs/dbraw/zinc/88/98/79/558889879.db2.gz JBKLYXMBDNCKLO-AWEZNQCLSA-N 0 0 424.480 3.175 40 0 HGABRN CC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)[nH]c(=O)n1 ZINC000019452478 558890362 /nfs/dbraw/zinc/89/03/62/558890362.db2.gz GZESUDMIXCLKFO-LJQANCHMSA-N 0 0 419.481 3.378 40 0 HGABRN COc1ccc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)c(OC)c1 ZINC000019453705 558890909 /nfs/dbraw/zinc/89/09/09/558890909.db2.gz XDSZCTUGSJXCCE-UHFFFAOYSA-N 0 0 412.534 3.012 40 0 HGABRN CCC(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000057811703 558890967 /nfs/dbraw/zinc/89/09/67/558890967.db2.gz CZCMJAFPBWKNQX-UHFFFAOYSA-N 0 0 410.489 3.291 40 0 HGABRN COc1cc(CN2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc(OC)c1 ZINC000019453675 558891022 /nfs/dbraw/zinc/89/10/22/558891022.db2.gz QGTHEYBMKCCKRE-UHFFFAOYSA-N 0 0 412.534 3.012 40 0 HGABRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc2c(c1)CCCO2 ZINC000019458857 558892896 /nfs/dbraw/zinc/89/28/96/558892896.db2.gz VRBXELJUSHBNJQ-MAUKXSAKSA-N 0 0 422.481 3.013 40 0 HGABRN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncc(Cc3ccccc3)s1)C2=O ZINC000019496146 558895269 /nfs/dbraw/zinc/89/52/69/558895269.db2.gz MEYZOKHMNMLDPA-SZNDQCEHSA-N 0 0 412.515 3.173 40 0 HGABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2ccc3c(c2)C[C@H](C)O3)cc1 ZINC000019498098 558896637 /nfs/dbraw/zinc/89/66/37/558896637.db2.gz GUJAXUHOOHILNQ-IZHWHUGBSA-N 0 0 403.482 3.459 40 0 HGABRN CCC(=O)N1CCO[C@](Cc2ccccc2-c2ccc(F)cc2)(C(=O)NC2CC2)C1 ZINC000019498985 558897285 /nfs/dbraw/zinc/89/72/85/558897285.db2.gz WYOCRAOQLAXEHS-DEOSSOPVSA-N 0 0 410.489 3.321 40 0 HGABRN CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)CC[C@H]3CCCO3)C[C@H]21 ZINC000019520096 558901005 /nfs/dbraw/zinc/90/10/05/558901005.db2.gz YYOZZCCEBKWNNI-QKNQBKEWSA-N 0 0 414.546 3.498 40 0 HGABRN CCc1nnsc1C(=O)N1CCC(c2nc(C)cc(-c3nccs3)n2)CC1 ZINC000019521848 558903008 /nfs/dbraw/zinc/90/30/08/558903008.db2.gz MJKXLYDRYNFYLW-UHFFFAOYSA-N 0 0 400.533 3.342 40 0 HGABRN CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cn1 ZINC000019525043 558906214 /nfs/dbraw/zinc/90/62/14/558906214.db2.gz ROBDPVXOPXQZKM-QGZVFWFLSA-N 0 0 424.486 3.027 40 0 HGABRN CCN1C[C@H](C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)CC1=O ZINC000019526900 558907919 /nfs/dbraw/zinc/90/79/19/558907919.db2.gz VAEPDKQKXKQQJS-CHWSQXEVSA-N 0 0 424.423 3.124 40 0 HGABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2cc[nH]n2)C1 ZINC000019528597 558909982 /nfs/dbraw/zinc/90/99/82/558909982.db2.gz YTTBSQDJGOQSQW-DEOSSOPVSA-N 0 0 417.513 3.073 40 0 HGABRN 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558965762 /nfs/dbraw/zinc/96/57/62/558965762.db2.gz GTOQFJQHXMRDMV-OAQYLSRUSA-N 0 0 419.529 3.390 40 0 HGABRN Cc1nc(CN(C)C(=O)c2cc(C3CC3)on2)nc2c1CCC(=O)N2CCC(C)C ZINC000019698080 558965766 /nfs/dbraw/zinc/96/57/66/558965766.db2.gz MMAAMKVTDARFJZ-UHFFFAOYSA-N 0 0 411.506 3.248 40 0 HGABRN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000072376883 558966196 /nfs/dbraw/zinc/96/61/96/558966196.db2.gz FNRSUWWVLQBXQN-IBGZPJMESA-N 0 0 407.518 3.459 40 0 HGABRN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2C(=O)CC2CCCC2)cc1 ZINC000072377086 558966271 /nfs/dbraw/zinc/96/62/71/558966271.db2.gz MBOURFBXSOKVKE-LJQANCHMSA-N 0 0 407.518 3.459 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377732 558966939 /nfs/dbraw/zinc/96/69/39/558966939.db2.gz BEPYKAHPGACXKG-GOSISDBHSA-N 0 0 411.487 3.150 40 0 HGABRN COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 ZINC000019703391 558967494 /nfs/dbraw/zinc/96/74/94/558967494.db2.gz DRZRQBJLPCDPMY-LJQANCHMSA-N 0 0 422.529 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CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(F)ccc1F)S(C)(=O)=O ZINC000022252433 558473604 /nfs/dbraw/zinc/47/36/04/558473604.db2.gz SNTNKYLETQXQFI-UHFFFAOYSA-N 0 0 414.430 3.020 40 0 HGABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCc3ccccc3)C2)cc1 ZINC000022258883 558474893 /nfs/dbraw/zinc/47/48/93/558474893.db2.gz STYHGUGOYHAIKL-FQEVSTJZSA-N 0 0 400.544 3.145 40 0 HGABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1C ZINC000022268075 558475114 /nfs/dbraw/zinc/47/51/14/558475114.db2.gz DAIODQSLOIFACY-FQEVSTJZSA-N 0 0 418.559 3.056 40 0 HGABRN Cc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c(C)c1 ZINC000022328241 558479052 /nfs/dbraw/zinc/47/90/52/558479052.db2.gz HYKUQAWRUQHUTG-GOSISDBHSA-N 0 0 416.543 3.488 40 0 HGABRN Cc1cc(C)cc(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 ZINC000022329111 558479274 /nfs/dbraw/zinc/47/92/74/558479274.db2.gz IDGLJFXGLURNKN-UHFFFAOYSA-N 0 0 408.951 3.472 40 0 HGABRN Cc1cc(C)cc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)c1 ZINC000022329086 558479301 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558266997 /nfs/dbraw/zinc/26/69/97/558266997.db2.gz UOOJYXCIWUCOBM-NRFANRHFSA-N 0 0 424.545 3.459 40 0 HGABRN Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@H](C)c3ccc(C(C)C)cc3)c2=O)no1 ZINC000019750183 558270264 /nfs/dbraw/zinc/27/02/64/558270264.db2.gz MZDJGATUEFVOBQ-MRXNPFEDSA-N 0 0 422.485 3.398 40 0 HGABRN Nc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1C(=O)NC1CCCC1 ZINC000019753984 558273274 /nfs/dbraw/zinc/27/32/74/558273274.db2.gz DHCSQJRDLBETKX-UHFFFAOYSA-N 0 0 424.520 3.424 40 0 HGABRN Nc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)ccc1C(=O)NC1CCCC1 ZINC000019753934 558273307 /nfs/dbraw/zinc/27/33/07/558273307.db2.gz SBDHHRJHVINXMI-UHFFFAOYSA-N 0 0 406.530 3.285 40 0 HGABRN Cc1nc([C@H]2CCN(C(=O)c3cc[nH]n3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754108 558273548 /nfs/dbraw/zinc/27/35/48/558273548.db2.gz DQUCRIXPRJJAHU-ZDUSSCGKSA-N 0 0 410.865 3.044 40 0 HGABRN CCCn1c(CN2CCC(Cc3nc(C)ncc3C(=O)NC)CC2)nc2ccccc21 ZINC000019756978 558274841 /nfs/dbraw/zinc/27/48/41/558274841.db2.gz OBVVNPJSDJDGEJ-UHFFFAOYSA-N 0 0 420.561 3.359 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558319382 /nfs/dbraw/zinc/31/93/82/558319382.db2.gz CMEUVSZSUBHJPR-OAHLLOKOSA-N 0 0 422.572 3.223 40 0 HGABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020015696 558319788 /nfs/dbraw/zinc/31/97/88/558319788.db2.gz KLEJGOGQYGLQMV-QGZVFWFLSA-N 0 0 422.934 3.163 40 0 HGABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000020018993 558320744 /nfs/dbraw/zinc/32/07/44/558320744.db2.gz KMWOXDFCPNCWNH-OAHLLOKOSA-N 0 0 422.934 3.381 40 0 HGABRN COc1ccc(-c2cc3nc([C@@H](C)NC(=O)c4ccc5c(c4)OCO5)nn3cn2)cc1 ZINC000012085079 558320928 /nfs/dbraw/zinc/32/09/28/558320928.db2.gz BBIJGSNPOVRIDF-CYBMUJFWSA-N 0 0 417.425 3.020 40 0 HGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000020019675 558320968 /nfs/dbraw/zinc/32/09/68/558320968.db2.gz ARRBMDQQOSFKDE-CQSZACIVSA-N 0 0 410.923 3.285 40 0 HGABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022615 558321616 /nfs/dbraw/zinc/32/16/16/558321616.db2.gz NYHQPJXBGKTSGW-CQSZACIVSA-N 0 0 410.923 3.155 40 0 HGABRN O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020046683 558327661 /nfs/dbraw/zinc/32/76/61/558327661.db2.gz DYUNGMQWUUHPBY-QFIPXVFZSA-N 0 0 414.571 3.020 40 0 HGABRN CCc1nc2ccccc2n1[C@H](C)C(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000012116289 558328609 /nfs/dbraw/zinc/32/86/09/558328609.db2.gz WOAMOOJPVFSDOL-MRXNPFEDSA-N 0 0 417.513 3.334 40 0 HGABRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 ZINC000020106406 558333480 /nfs/dbraw/zinc/33/34/80/558333480.db2.gz OTXAFCPHZZACSG-UHFFFAOYSA-N 0 0 417.270 3.404 40 0 HGABRN CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000020107983 558334331 /nfs/dbraw/zinc/33/43/31/558334331.db2.gz AASIUEOEYOWSTP-QGZVFWFLSA-N 0 0 422.572 3.252 40 0 HGABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)Oc2ccccc21 ZINC000020111008 558335833 /nfs/dbraw/zinc/33/58/33/558335833.db2.gz RKMRFEWTPPLELX-OAHLLOKOSA-N 0 0 401.271 3.159 40 0 HGABRN Cc1cc(-c2cc(N)c(=O)n(CC(=O)Nc3ccccc3-n3cccc3)n2)c(C)o1 ZINC000012144417 558335928 /nfs/dbraw/zinc/33/59/28/558335928.db2.gz WZKJHISQFWBUDK-UHFFFAOYSA-N 0 0 403.442 3.132 40 0 HGABRN COc1ccccc1CC(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O ZINC000012145204 558336464 /nfs/dbraw/zinc/33/64/64/558336464.db2.gz HISFAZLJSLDDTM-QGZVFWFLSA-N 0 0 409.511 3.214 40 0 HGABRN CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000012145818 558337089 /nfs/dbraw/zinc/33/70/89/558337089.db2.gz NPDNIGKFFUHORI-KRWDZBQOSA-N 0 0 406.486 3.318 40 0 HGABRN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012158277 558340919 /nfs/dbraw/zinc/34/09/19/558340919.db2.gz BJOLJKZHNKRYLP-INIZCTEOSA-N 0 0 411.531 3.108 40 0 HGABRN Cc1nnsc1C(=O)N1CCC(c2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000012157809 558340923 /nfs/dbraw/zinc/34/09/23/558340923.db2.gz NJRFUXVSTDRWHJ-UHFFFAOYSA-N 0 0 415.544 3.043 40 0 HGABRN Cc1nn(CC(=O)N2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)c(C)c1C ZINC000012184511 558344367 /nfs/dbraw/zinc/34/43/67/558344367.db2.gz DEHSSWSTNVSDKT-MRXNPFEDSA-N 0 0 402.882 3.233 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558367728 /nfs/dbraw/zinc/36/77/28/558367728.db2.gz NRQCMJCKPFZMDC-FQEVSTJZSA-N 0 0 414.527 3.287 40 0 HGABRN COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000020454537 558368349 /nfs/dbraw/zinc/36/83/49/558368349.db2.gz WUYHOGDXFZAYIJ-HXUWFJFHSA-N 0 0 404.532 3.365 40 0 HGABRN CCOC(=O)c1ccc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1 ZINC000020456097 558369786 /nfs/dbraw/zinc/36/97/86/558369786.db2.gz SWKPXQYSSQINJI-UHFFFAOYSA-N 0 0 410.879 3.449 40 0 HGABRN Cn1c2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2n(C)c1=O ZINC000020456773 558370150 /nfs/dbraw/zinc/37/01/50/558370150.db2.gz YTPOQVYRFXMJIE-UHFFFAOYSA-N 0 0 409.467 3.470 40 0 HGABRN CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000020458202 558371191 /nfs/dbraw/zinc/37/11/91/558371191.db2.gz UZWKYZFBJUGVNX-KRWDZBQOSA-N 0 0 404.532 3.173 40 0 HGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)N1CCCC1 ZINC000020459057 558371740 /nfs/dbraw/zinc/37/17/40/558371740.db2.gz CKUACWRJMAXGSX-CQSZACIVSA-N 0 0 406.479 3.110 40 0 HGABRN C[C@@H](NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000020460115 558372369 /nfs/dbraw/zinc/37/23/69/558372369.db2.gz VPHVWLBJHCGCMM-GFCCVEGCSA-N 0 0 418.412 3.488 40 0 HGABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC ZINC000020481410 558375289 /nfs/dbraw/zinc/37/52/89/558375289.db2.gz OMQHVOXZHPONNA-SFHVURJKSA-N 0 0 424.494 3.317 40 0 HGABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1 ZINC000020483929 558376060 /nfs/dbraw/zinc/37/60/60/558376060.db2.gz JBDYEJRMWWKJCD-HNNXBMFYSA-N 0 0 408.907 3.358 40 0 HGABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020489734 558377484 /nfs/dbraw/zinc/37/74/84/558377484.db2.gz CFLHAOQOMYHBBS-UHFFFAOYSA-N 0 0 418.906 3.136 40 0 HGABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020491430 558377938 /nfs/dbraw/zinc/37/79/38/558377938.db2.gz UKXFDXLJOZQGRW-OAHLLOKOSA-N 0 0 402.878 3.180 40 0 HGABRN CC[C@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O)c1ccccc1 ZINC000020490882 558377963 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558838354 /nfs/dbraw/zinc/83/83/54/558838354.db2.gz AFCOUBTWNXIEIZ-UHFFFAOYSA-N 0 0 406.486 3.128 40 0 HGABRN C[C@@H](C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1)n1cnc2ccccc21 ZINC000019078450 558838615 /nfs/dbraw/zinc/83/86/15/558838615.db2.gz TUZFPDAVGVNNJF-RDJZCZTQSA-N 0 0 402.458 3.449 40 0 HGABRN COc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)[C@H](C)n3ccnc3)CC2)cc1 ZINC000019079065 558838754 /nfs/dbraw/zinc/83/87/54/558838754.db2.gz XDNJWNOFZUCUIB-WMZHIEFXSA-N 0 0 404.514 3.387 40 0 HGABRN COc1ccc(CN2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081057 558839200 /nfs/dbraw/zinc/83/92/00/558839200.db2.gz BKXHXTIWEHNAFO-QGZVFWFLSA-N 0 0 424.545 3.111 40 0 HGABRN CN1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)CC1 ZINC000019081187 558839403 /nfs/dbraw/zinc/83/94/03/558839403.db2.gz HBYHMFNATPKXHY-LJQANCHMSA-N 0 0 422.577 3.043 40 0 HGABRN Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019083758 558840569 /nfs/dbraw/zinc/84/05/69/558840569.db2.gz 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558850255 /nfs/dbraw/zinc/85/02/55/558850255.db2.gz JSCDVRQGXDNZRO-UHFFFAOYSA-N 0 0 404.449 3.223 40 0 HGABRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(O)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013645544 558850470 /nfs/dbraw/zinc/85/04/70/558850470.db2.gz CSAGVHLTZREPBO-FSSWDIPSSA-N 0 0 416.433 3.452 40 0 HGABRN Cc1ccc2c(CC(=O)N3CC[C@@H](c4nc(-c5ncccn5)no4)C3)coc2c1C ZINC000019221700 558852220 /nfs/dbraw/zinc/85/22/20/558852220.db2.gz JYFYWFJOINHWTF-OAHLLOKOSA-N 0 0 403.442 3.448 40 0 HGABRN COc1cccc(OCCc2nnc(NC(=O)c3cn4cc(C)ccc4n3)s2)c1 ZINC000019234360 558853563 /nfs/dbraw/zinc/85/35/63/558853563.db2.gz YIYIWPMVTPYMRE-UHFFFAOYSA-N 0 0 409.471 3.377 40 0 HGABRN COc1ccc(-c2noc([C@H]3CN(C(=O)COc4c(C)cccc4C)CCO3)n2)cc1 ZINC000019236063 558855215 /nfs/dbraw/zinc/85/52/15/558855215.db2.gz SAUFPGJXEZRJRG-LJQANCHMSA-N 0 0 423.469 3.341 40 0 HGABRN COCCN1Cc2cccc(C(=O)N[C@H](C)Cc3c[nH]c4c3cccc4C)c2C1=O ZINC000019236638 558855730 /nfs/dbraw/zinc/85/57/30/558855730.db2.gz DUSUNZXJNAYIEH-MRXNPFEDSA-N 0 0 405.498 3.440 40 0 HGABRN Cc1ccccc1-c1noc([C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3)CCO2)n1 ZINC000019237523 558856826 /nfs/dbraw/zinc/85/68/26/558856826.db2.gz DSAPNIHNQFCKKB-QGZVFWFLSA-N 0 0 421.425 3.085 40 0 HGABRN Cc1ccn2cc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)nc2c1 ZINC000019238173 558857134 /nfs/dbraw/zinc/85/71/34/558857134.db2.gz CLSXYBKKGNUGQE-GGAORHGYSA-N 0 0 406.461 3.408 40 0 HGABRN Cc1cnc(-c2nnc([C@H]3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)o2)cn1 ZINC000019239137 558857698 /nfs/dbraw/zinc/85/76/98/558857698.db2.gz HTGOUZWSXHPMGX-ZDUSSCGKSA-N 0 0 419.894 3.057 40 0 HGABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)Cc2ccc(F)cc2)cc(=O)[nH]1 ZINC000019240986 558859513 /nfs/dbraw/zinc/85/95/13/558859513.db2.gz JYFSLOZFHHPGLN-HXUWFJFHSA-N 0 0 404.445 3.341 40 0 HGABRN Cc1nnnn1-c1ccc(CC(=O)N2CCc3sccc3[C@H]2c2ccco2)cc1 ZINC000019288427 558861384 /nfs/dbraw/zinc/86/13/84/558861384.db2.gz WFZUSKQIJGVSHT-NRFANRHFSA-N 0 0 405.483 3.342 40 0 HGABRN 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558928563 /nfs/dbraw/zinc/92/85/63/558928563.db2.gz DTCIZICYILUDEI-UHFFFAOYSA-N 0 0 409.511 3.456 40 0 HGABRN COc1ccccc1CCC(=O)N1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019569909 558928685 /nfs/dbraw/zinc/92/86/85/558928685.db2.gz WUNNSRVRZWYYDF-GBXCKJPGSA-N 0 0 407.514 3.078 40 0 HGABRN Cc1cc(C)n(CC(=O)NCCn2ncc(-c3ccccn3)c2-c2cccs2)n1 ZINC000019573483 558931497 /nfs/dbraw/zinc/93/14/97/558931497.db2.gz KSPBGWNNVJEUAH-UHFFFAOYSA-N 0 0 406.515 3.303 40 0 HGABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)Cc4ccc(F)cc4)nn3cn2)cc1 ZINC000019574443 558932088 /nfs/dbraw/zinc/93/20/88/558932088.db2.gz GJPQTJOTRIPGDM-AWEZNQCLSA-N 0 0 405.433 3.359 40 0 HGABRN O=C(c1ccccc1F)N1CCC[C@H]1Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O ZINC000072324134 558933123 /nfs/dbraw/zinc/93/31/23/558933123.db2.gz ADCINCWHFWWVHL-INIZCTEOSA-N 0 0 421.428 3.083 40 0 HGABRN CCn1cncc1C(=O)N1CC[C@@](Cc2ccc(-c3cccs3)cc2)(C(=O)NC)C1 ZINC000019578339 558933946 /nfs/dbraw/zinc/93/39/46/558933946.db2.gz FUSDJLVZZYQESY-QHCPKHFHSA-N 0 0 422.554 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3.352 40 0 HGABRN Cn1c2ccc(NC(=O)CCn3cnc4ccccc4c3=O)cc2nc1C(F)(F)F ZINC000019661753 558952695 /nfs/dbraw/zinc/95/26/95/558952695.db2.gz ZOLZYVJXAALFEI-UHFFFAOYSA-N 0 0 415.375 3.331 40 0 HGABRN Cc1cccc(C2(C(=O)NCc3ccc(CN4CCCC4=O)cc3)CCOCC2)c1 ZINC000019662249 558953285 /nfs/dbraw/zinc/95/32/85/558953285.db2.gz IQCXTLFMCWWMHP-UHFFFAOYSA-N 0 0 406.526 3.482 40 0 HGABRN Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)c1 ZINC000072358244 558953936 /nfs/dbraw/zinc/95/39/36/558953936.db2.gz INQPHGZVYVBDGT-LJQANCHMSA-N 0 0 400.479 3.071 40 0 HGABRN Nc1ncc(-c2ccc([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc2)cn1 ZINC000019688599 558958045 /nfs/dbraw/zinc/95/80/45/558958045.db2.gz UHQHBRQOELZXSN-INIZCTEOSA-N 0 0 406.465 3.078 40 0 HGABRN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4scnc4C)C3)[nH]n2)cc1 ZINC000072371525 558958386 /nfs/dbraw/zinc/95/83/86/558958386.db2.gz MMEIEJRYRNDGEI-HNNXBMFYSA-N 0 0 412.515 3.434 40 0 HGABRN Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2ccc(-c3cnn(C)c3)cn2)C1 ZINC000019689247 558958494 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569413803 /nfs/dbraw/zinc/41/38/03/569413803.db2.gz UJMBCNRHYCUAHO-NRFANRHFSA-O 0 0 423.518 3.479 40 0 HGABRN Cc1nc([C@@H]2CCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2CCC(C)C ZINC000019741987 569429513 /nfs/dbraw/zinc/42/95/13/569429513.db2.gz NVDGFYWDRRFSIO-SFHVURJKSA-N 0 0 402.539 3.199 40 0 HGABRN C[C@H](CO)Nc1nc(-c2cccnc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328991976 571305049 /nfs/dbraw/zinc/30/50/49/571305049.db2.gz IUGNDMCAUQCWBT-LLVKDONJSA-N 0 0 405.289 4.077 40 0 HGABRN C[C@H](CO)Nc1nc(-c2ccncc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329005897 571305134 /nfs/dbraw/zinc/30/51/34/571305134.db2.gz LAIFSNQKARMZRO-LLVKDONJSA-N 0 0 405.289 4.077 40 0 HGABRN Cc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)N(C)C2)cc1 ZINC000020464417 575366887 /nfs/dbraw/zinc/36/68/87/575366887.db2.gz DGTXWQPKGPETIN-IRXDYDNUSA-N 0 0 421.457 3.341 40 0 biogenic,in-vitro HGABRN CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)CC1 ZINC000067898575 291231779 /nfs/dbraw/zinc/23/17/79/291231779.db2.gz UPVUIPFCYCRKJX-IBGZPJMESA-N 0 0 422.451 3.480 40 0 biogenic,in-vitro HGABRN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCCCC3)CCN21 ZINC000253404975 291233175 /nfs/dbraw/zinc/23/31/75/291233175.db2.gz ROWYIZYLVXPIBC-NRFANRHFSA-N 0 0 412.578 3.084 40 0 biogenic,in-vitro HGABRN CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN21 ZINC000253403339 291233570 /nfs/dbraw/zinc/23/35/70/291233570.db2.gz PSDSQICHPOJGEE-SFHVURJKSA-N 0 0 413.468 3.026 40 0 biogenic,in-vitro HGABRN CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](CC)C2)c1 ZINC000005414902 291234534 /nfs/dbraw/zinc/23/45/34/291234534.db2.gz ORVJVUWETWFVFJ-HOTGVXAUSA-N 0 0 401.507 3.412 40 0 biogenic,in-vitro HGABRN CNc1nc2c(s1)C[C@]1(C)CC[C@@H]([C@H](C)C(=O)N3CCSCC3)[C@H](O)[C@H]1[C@@H]2C ZINC000003840515 291235785 /nfs/dbraw/zinc/23/57/85/291235785.db2.gz HQSUAJHCASOPJY-AROIKJCCSA-N 0 0 423.648 3.449 40 0 biogenic,in-vitro HGABRN COC(=O)c1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4OC)C[C@H]3F)nc2c1 ZINC000096112376 291236263 /nfs/dbraw/zinc/23/62/63/291236263.db2.gz MNXDGDYPUCKDKT-UZLBHIALSA-N 0 0 413.449 3.097 40 0 biogenic,in-vitro HGABRN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccncc4)C2)C3)cc1 ZINC000004237362 291239113 /nfs/dbraw/zinc/23/91/13/291239113.db2.gz FGLUUSYBOOIAMP-QFBILLFUSA-N 0 0 401.466 3.178 40 0 biogenic,in-vitro HGABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000225433008 291239728 /nfs/dbraw/zinc/23/97/28/291239728.db2.gz UDNSICLAFVFYGM-KRWDZBQOSA-N 0 0 421.497 3.362 40 0 biogenic,in-vitro HGABRN COc1ccc(C(=O)NC[C@H]2O[C@H](Cc3cc(-c4ccccc4)on3)CC[C@@H]2O)cc1 ZINC000077262806 291239817 /nfs/dbraw/zinc/23/98/17/291239817.db2.gz OUTBHOGOXCOCNB-QNWVGRARSA-N 0 0 422.481 3.231 40 0 biogenic,in-vitro HGABRN FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3csnn3)n2)cc1 ZINC000067898724 291242667 /nfs/dbraw/zinc/24/26/67/291242667.db2.gz NRNOLCPDKXTQRP-HNNXBMFYSA-N 0 0 411.409 3.400 40 0 biogenic,in-vitro HGABRN O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]12)c1cccs1 ZINC000008296895 291243597 /nfs/dbraw/zinc/24/35/97/291243597.db2.gz COLNJRRZWFNOMB-ICSRJNTNSA-N 0 0 417.490 3.380 40 0 biogenic,in-vitro HGABRN O=C(N[C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)c1ccc(C(F)(F)F)cc1 ZINC000004260413 291243990 /nfs/dbraw/zinc/24/39/90/291243990.db2.gz PDCZGNOEJJKGFL-WJFTUGDTSA-N 0 0 407.388 3.187 40 0 biogenic,in-vitro HGABRN O=C(c1cnccn1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc(Cl)cc3)ccc12 ZINC000004237119 291245042 /nfs/dbraw/zinc/24/50/42/291245042.db2.gz RLDKHURFIUAPDU-GOEBONIOSA-N 0 0 406.873 3.218 40 0 biogenic,in-vitro HGABRN O=C(c1ccccc1)N1CCN2C(=O)c3cc(-c4ccccc4)ccc3NC(=O)[C@H]2C1 ZINC000006131113 291245358 /nfs/dbraw/zinc/24/53/58/291245358.db2.gz SBFCOQNQGHYTCP-JOCHJYFZSA-N 0 0 411.461 3.273 40 0 biogenic,in-vitro HGABRN C[C@H]1C(=O)N(c2ccc(Br)cc2)C(=O)[C@H]2C(=O)Oc3ccccc3[C@@H]12 ZINC000004653492 132280723 /nfs/dbraw/zinc/28/07/23/132280723.db2.gz MWCBFVAZHWOBHI-GTTSAUCSSA-N 0 0 400.228 3.277 40 0 HGABRN Cc1cccc(C)c1N1CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 ZINC000004973658 132297404 /nfs/dbraw/zinc/29/74/04/132297404.db2.gz AESDDWZZXFHKGZ-XMSQKQJNSA-N 0 0 404.576 3.151 40 0 HGABRN COc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2C1 ZINC000010157304 132345377 /nfs/dbraw/zinc/34/53/77/132345377.db2.gz HFXFVDSXESCLKJ-KRWDZBQOSA-N 0 0 415.497 3.120 40 0 HGABRN O=C([C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1)N1CCc2ccccc21 ZINC000010449355 132345996 /nfs/dbraw/zinc/34/59/96/132345996.db2.gz XHDHCZTXYPEVTG-JOCHJYFZSA-N 0 0 420.490 3.232 40 0 HGABRN CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)N2CCC(C)CC2)C1=O ZINC000012241936 132357633 /nfs/dbraw/zinc/35/76/33/132357633.db2.gz BLCJSXQOEGOWMA-GOSISDBHSA-N 0 0 410.470 3.273 40 0 HGABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)Oc2ccccc21 ZINC000030938770 132497766 /nfs/dbraw/zinc/49/77/66/132497766.db2.gz RKUKAORYVHVUJG-OAHLLOKOSA-N 0 0 401.271 3.159 40 0 HGABRN CC(=O)c1cccc(N2C(SCc3ccccc3C)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032641042 518423245 /nfs/dbraw/zinc/42/32/45/518423245.db2.gz XUEQHIJITOJKFT-PMACEKPBSA-N 0 0 414.552 3.473 40 0 HGABRN CC(=O)c1cccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640594 518423802 /nfs/dbraw/zinc/42/38/02/518423802.db2.gz BGNOEQREIJOUTM-OALUTQOASA-N 0 0 400.525 3.164 40 0 HGABRN CC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466094 519701071 /nfs/dbraw/zinc/70/10/71/519701071.db2.gz HHVXTHDWGRNAJO-FSMONTQVSA-N 0 0 418.553 3.406 40 0 biogenic,in-vitro HGABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020044036 519779284 /nfs/dbraw/zinc/77/92/84/519779284.db2.gz YNBHCGDXVNMPKJ-UHFFFAOYSA-N 0 0 410.923 3.210 40 0 HGABRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000019818319 521278215 /nfs/dbraw/zinc/27/82/15/521278215.db2.gz GXIYVXYNSZYBGX-RTWAWAEBSA-N 0 0 421.497 3.497 40 0 HGABRN CCOc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000044640807 521347563 /nfs/dbraw/zinc/34/75/63/521347563.db2.gz QANRTYNELXLBCG-UHFFFAOYSA-N 0 0 412.511 3.175 40 0 HGABRN CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044886137 521439055 /nfs/dbraw/zinc/43/90/55/521439055.db2.gz HVAHYWDBGCOGQH-UHFFFAOYSA-N 0 0 424.906 3.084 40 0 HGABRN CCN(c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1)S(C)(=O)=O ZINC000020030542 521492151 /nfs/dbraw/zinc/49/21/51/521492151.db2.gz KBXQBQWCRMYRRB-FQEVSTJZSA-N 0 0 402.516 3.045 40 0 HGABRN CCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1Cl ZINC000044845894 521515172 /nfs/dbraw/zinc/51/51/72/521515172.db2.gz FAIKIPCDCGUALO-UHFFFAOYSA-N 0 0 410.879 3.449 40 0 HGABRN CCOC(=O)c1cccc(NC(=S)NCc2nc(-c3cccc(OC)c3)no2)c1 ZINC000225822692 521545871 /nfs/dbraw/zinc/54/58/71/521545871.db2.gz XEILAIXWWTVWCM-UHFFFAOYSA-N 0 0 412.471 3.409 40 0 HGABRN CCCn1cnc2nc(COc3ccccc3NC(=O)c3cccs3)cc(=O)n21 ZINC000041077136 521663677 /nfs/dbraw/zinc/66/36/77/521663677.db2.gz QQAAULMDWBUUJH-UHFFFAOYSA-N 0 0 409.471 3.194 40 0 HGABRN CCSc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1 ZINC000044844817 521777876 /nfs/dbraw/zinc/77/78/76/521777876.db2.gz LIMVLKFBOXLTJH-KRWDZBQOSA-N 0 0 406.529 3.354 40 0 HGABRN CC[C@H](NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1)c1ccc(C)cc1 ZINC000020047527 522390460 /nfs/dbraw/zinc/39/04/60/522390460.db2.gz FSBRMKBKSOYTNK-FQEVSTJZSA-N 0 0 404.532 3.033 40 0 HGABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000019934540 522491151 /nfs/dbraw/zinc/49/11/51/522491151.db2.gz IFWUDEVGKXJRSY-UZLBHIALSA-N 0 0 404.532 3.426 40 0 HGABRN CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(C)c(C)c1 ZINC000044856571 522501287 /nfs/dbraw/zinc/50/12/87/522501287.db2.gz BIBQRUPGRXEGLL-PXNSSMCTSA-N 0 0 402.516 3.098 40 0 HGABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 ZINC000044839343 522778002 /nfs/dbraw/zinc/77/80/02/522778002.db2.gz DGGAFOUEWYTYFY-LJQANCHMSA-N 0 0 422.934 3.242 40 0 HGABRN COCc1nn2c(nc(COC(=O)C(c3ccccc3)c3ccccc3)cc2=O)s1 ZINC000041078218 523245759 /nfs/dbraw/zinc/24/57/59/523245759.db2.gz IFCSYILLERVUAU-UHFFFAOYSA-N 0 0 421.478 3.173 40 0 HGABRN COc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2F)cc1 ZINC000032639746 524122427 /nfs/dbraw/zinc/12/24/27/524122427.db2.gz SQDKUXDZMUXXKI-AEFFLSMTSA-N 0 0 424.494 3.248 40 0 HGABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3sncc3c2)c(C)c1 ZINC000226037517 524313294 /nfs/dbraw/zinc/31/32/94/524313294.db2.gz FOBAEVJAZDTJSZ-UHFFFAOYSA-N 0 0 403.529 3.481 40 0 HGABRN Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000032593762 524417259 /nfs/dbraw/zinc/41/72/59/524417259.db2.gz KOCORJAUWQZPKM-WOJBJXKFSA-N 0 0 423.962 3.077 40 0 HGABRN COc1ccccc1CCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040391410 524423854 /nfs/dbraw/zinc/42/38/54/524423854.db2.gz ISIYMFSLDGSQSC-UHFFFAOYSA-N 0 0 415.428 3.497 40 0 HGABRN COc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CCCC2)c(OC)c1 ZINC000225948597 524469603 /nfs/dbraw/zinc/46/96/03/524469603.db2.gz UKUVRRAKBPSCIR-UHFFFAOYSA-N 0 0 418.515 3.421 40 0 HGABRN 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568525591 /nfs/dbraw/zinc/52/55/91/568525591.db2.gz DGHYQKAGWOJBGJ-UHFFFAOYSA-N 0 0 416.543 3.255 40 0 HGABRN CCOc1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000222760177 568525663 /nfs/dbraw/zinc/52/56/63/568525663.db2.gz JGKHIXSVYGBIGV-UHFFFAOYSA-N 0 0 412.511 3.321 40 0 HGABRN CC(C)Oc1cccc(CCCNC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c1 ZINC000222771393 568526142 /nfs/dbraw/zinc/52/61/42/568526142.db2.gz VSXFWYQKSRRRST-OAQYLSRUSA-N 0 0 418.559 3.155 40 0 HGABRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc(C)c1)S(C)(=O)=O ZINC000222774815 568526199 /nfs/dbraw/zinc/52/61/99/568526199.db2.gz DDGAJTXFPGETPS-LPHOPBHVSA-N 0 0 404.532 3.426 40 0 HGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(OC)cc2)c(C)c1 ZINC000222818823 568527275 /nfs/dbraw/zinc/52/72/75/568527275.db2.gz URRSTJGKMOXGFS-UHFFFAOYSA-N 0 0 420.531 3.076 40 0 HGABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)c(C)c1 ZINC000222817035 568527306 /nfs/dbraw/zinc/52/73/06/568527306.db2.gz GUJFINRJMZLYRF-UHFFFAOYSA-N 0 0 404.532 3.029 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CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 ZINC000223171280 568540112 /nfs/dbraw/zinc/54/01/12/568540112.db2.gz PXLGOZXSKVUMJO-LEWJYISDSA-N 0 0 413.591 3.159 40 0 HGABRN COc1ccccc1N(CCCC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O ZINC000223241560 568542255 /nfs/dbraw/zinc/54/22/55/568542255.db2.gz SOGZGFNINWSRQL-UHFFFAOYSA-N 0 0 418.559 3.379 40 0 HGABRN COc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1C ZINC000223272816 568543690 /nfs/dbraw/zinc/54/36/90/568543690.db2.gz MVEBEXIGMDJRME-UHFFFAOYSA-N 0 0 407.879 3.494 40 0 HGABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1C[C@@H]1CCCO1 ZINC000223303400 568544621 /nfs/dbraw/zinc/54/46/21/568544621.db2.gz RHNMNDDUBMMESE-ZCLUNYJNSA-N 0 0 412.559 3.214 40 0 HGABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C[C@@H]1CCCO1 ZINC000223303458 568544652 /nfs/dbraw/zinc/54/46/52/568544652.db2.gz RHNMNDDUBMMESE-USNOLKROSA-N 0 0 412.559 3.214 40 0 HGABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1C[C@@H]1CCCO1 ZINC000223321312 568545216 /nfs/dbraw/zinc/54/52/16/568545216.db2.gz TZVCMGFBVUSUPN-NYVOZVTQSA-N 0 0 419.554 3.478 40 0 HGABRN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccccc3Br)cc2o1 ZINC000223325496 568545248 /nfs/dbraw/zinc/54/52/48/568545248.db2.gz OMQULRWXXYNNRI-UHFFFAOYSA-N 0 0 403.641 3.338 40 0 HGABRN O=C(Cc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCCCO)c1ccccc1 ZINC000223351662 568546145 /nfs/dbraw/zinc/54/61/45/568546145.db2.gz IXSGVRMMGMBEGR-VWLOTQADSA-N 0 0 416.521 3.498 40 0 HGABRN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)CC1 ZINC000223368435 568546691 /nfs/dbraw/zinc/54/66/91/568546691.db2.gz OHHPGHCPKFYDFB-INIZCTEOSA-N 0 0 410.580 3.366 40 0 HGABRN CN(CC(=O)NCCSC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000223424477 568548716 /nfs/dbraw/zinc/54/87/16/568548716.db2.gz DMCWIKIAKXRNFA-UHFFFAOYSA-N 0 0 406.573 3.252 40 0 HGABRN CCC(C)(C)n1nnnc1[C@H](c1ccccn1)N1CCN(c2cccc(OC)c2)CC1 ZINC000026438901 568548718 /nfs/dbraw/zinc/54/87/18/568548718.db2.gz RJNAZJPAHWELIT-NRFANRHFSA-N 0 0 421.549 3.133 40 0 HGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccccc2)cc1 ZINC000223539243 568551176 /nfs/dbraw/zinc/55/11/76/568551176.db2.gz IMLGZNSSWRHCJA-UHFFFAOYSA-N 0 0 424.522 3.386 40 0 HGABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1nccs1 ZINC000223606679 568553109 /nfs/dbraw/zinc/55/31/09/568553109.db2.gz VAPMVJUBBRUSJO-QZTJIDSGSA-N 0 0 413.572 3.301 40 0 HGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000223634066 568554234 /nfs/dbraw/zinc/55/42/34/568554234.db2.gz ORACVJFEAAOOJR-GOSISDBHSA-N 0 0 410.514 3.252 40 0 HGABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 ZINC000223643797 568554724 /nfs/dbraw/zinc/55/47/24/568554724.db2.gz QHSQHMBTQLFPNG-UHFFFAOYSA-N 0 0 424.522 3.496 40 0 HGABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000223645203 568554730 /nfs/dbraw/zinc/55/47/30/568554730.db2.gz BNOZVLJACAXPBL-UHFFFAOYSA-N 0 0 407.879 3.360 40 0 HGABRN CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000223652228 568555060 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Cc1ccc(CN(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000223833580 568560361 /nfs/dbraw/zinc/56/03/61/568560361.db2.gz LFGIUODCOBARLD-UHFFFAOYSA-N 0 0 418.559 3.075 40 0 HGABRN CC(C)(Cc1ccccc1)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000223864090 568561179 /nfs/dbraw/zinc/56/11/79/568561179.db2.gz PGWCEDYJEGDWPY-GOSISDBHSA-N 0 0 422.934 3.005 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1C(=O)N1CCCC1 ZINC000223870746 568561395 /nfs/dbraw/zinc/56/13/95/568561395.db2.gz UUOYQZGSVYTAMV-UHFFFAOYSA-N 0 0 422.934 3.405 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)cc1C(=O)NC(C)C ZINC000223882807 568561818 /nfs/dbraw/zinc/56/18/18/568561818.db2.gz NTEYPQHXDSNGAD-UHFFFAOYSA-N 0 0 422.572 3.376 40 0 HGABRN Cc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1Cl ZINC000223911765 568562789 /nfs/dbraw/zinc/56/27/89/568562789.db2.gz WHQCYTYQEUWZEH-UHFFFAOYSA-N 0 0 424.950 3.226 40 0 HGABRN Cc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1N(C)S(C)(=O)=O ZINC000223940012 568563741 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0 HGABRN COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)c4ccc(N)nc4)CCO3)c2)c1 ZINC000257301374 568804852 /nfs/dbraw/zinc/80/48/52/568804852.db2.gz RYFMXEVGKQCLIA-QFIPXVFZSA-N 0 0 418.497 3.180 40 0 HGABRN CCc1n[nH]cc1C(=O)N1CCC([C@]2(C)CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257308896 568807115 /nfs/dbraw/zinc/80/71/15/568807115.db2.gz TYQMIOFUEJINAA-NRFANRHFSA-N 0 0 400.454 3.379 40 0 HGABRN NC(=O)CC1(COc2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000257315583 568808917 /nfs/dbraw/zinc/80/89/17/568808917.db2.gz VCAUZULUVYUNFD-UHFFFAOYSA-N 0 0 422.934 3.065 40 0 HGABRN O=C(CC1(O)CCCCC1)N1CCO[C@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257316371 568809262 /nfs/dbraw/zinc/80/92/62/568809262.db2.gz VFHRKZYBEMPOJU-IBGZPJMESA-N 0 0 414.481 3.345 40 0 HGABRN FC(F)(F)c1ccc(OCCc2cc([C@@H]3CN(c4ncccn4)CCO3)[nH]n2)cc1 ZINC000257319826 568810187 /nfs/dbraw/zinc/81/01/87/568810187.db2.gz VUFCVAOSMCEOPK-SFHVURJKSA-N 0 0 419.407 3.418 40 0 HGABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)COc2ccc(Cl)cc2)C1 ZINC000257320217 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CC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000022253227 558473993 /nfs/dbraw/zinc/47/39/93/558473993.db2.gz UIMCVJVPWPLCDV-OAHLLOKOSA-N 0 0 420.531 3.198 40 0 HGABRN Cc1ccc(N(CC(=O)NCCCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022327782 558478815 /nfs/dbraw/zinc/47/88/15/558478815.db2.gz FNORCUMSMQGPNZ-UHFFFAOYSA-N 0 0 418.559 3.297 40 0 HGABRN Cc1ccc(C)c(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000022328659 558479017 /nfs/dbraw/zinc/47/90/17/558479017.db2.gz BSDWRINZAPFROV-UHFFFAOYSA-N 0 0 408.951 3.472 40 0 HGABRN Cc1ccc(OCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022330159 558479693 /nfs/dbraw/zinc/47/96/93/558479693.db2.gz NDFILQSBERITGG-UHFFFAOYSA-N 0 0 404.532 3.080 40 0 HGABRN CC(C)c1ccc(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022330144 558479721 /nfs/dbraw/zinc/47/97/21/558479721.db2.gz XYZPVIIOTKAGEG-UHFFFAOYSA-N 0 0 406.523 3.464 40 0 HGABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022333420 558480667 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HGABRN Cc1ccc(CCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000022394453 558486417 /nfs/dbraw/zinc/48/64/17/558486417.db2.gz CNKSKTQZKRPFTO-UHFFFAOYSA-N 0 0 402.560 3.435 40 0 HGABRN COc1cccc(CCCNC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000022401213 558487532 /nfs/dbraw/zinc/48/75/32/558487532.db2.gz CJOYKLUFQSOFDN-UHFFFAOYSA-N 0 0 418.559 3.135 40 0 HGABRN Cc1cc(C)c(N(CC(=O)NCCCc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 ZINC000022401102 558487534 /nfs/dbraw/zinc/48/75/34/558487534.db2.gz BYFBYRZVIQSOTG-UHFFFAOYSA-N 0 0 406.523 3.266 40 0 HGABRN CC[C@H](C(=O)N(C)Cc1ccccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000022515365 558493715 /nfs/dbraw/zinc/49/37/15/558493715.db2.gz ROWRGXDVOBXQEX-LJQANCHMSA-N 0 0 404.532 3.207 40 0 HGABRN COc1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1S(=O)(=O)N(C)C ZINC000022537843 558498554 /nfs/dbraw/zinc/49/85/54/558498554.db2.gz RYVYLLOAGHZVBJ-INIZCTEOSA-N 0 0 404.532 3.362 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1C ZINC000022539205 558498770 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ZINC000013677783 558564912 /nfs/dbraw/zinc/56/49/12/558564912.db2.gz QWOVIBKZRIHWKQ-UHFFFAOYSA-N 0 0 407.363 3.450 40 0 HGABRN CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013678519 558565330 /nfs/dbraw/zinc/56/53/30/558565330.db2.gz VQSFIQRGSIHYDW-GFCCVEGCSA-N 0 0 407.363 3.450 40 0 HGABRN CC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013680135 558566188 /nfs/dbraw/zinc/56/61/88/558566188.db2.gz REKWDLHBLWRKMX-UGSOOPFHSA-N 0 0 408.907 3.211 40 0 HGABRN CCC[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013682294 558567224 /nfs/dbraw/zinc/56/72/24/558567224.db2.gz WIBBEVGMMATGCI-JXFKEZNVSA-N 0 0 402.516 3.089 40 0 HGABRN Cc1ccc(C)c(N([C@H](C)C(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 ZINC000013682843 558567672 /nfs/dbraw/zinc/56/76/72/558567672.db2.gz WITFWUXCEZPPRV-MRXNPFEDSA-N 0 0 410.561 3.101 40 0 HGABRN CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712081 558576401 /nfs/dbraw/zinc/57/64/01/558576401.db2.gz RFCORPFVJXKIGI-QGZVFWFLSA-N 0 0 424.906 3.310 40 0 HGABRN CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713152 558577186 /nfs/dbraw/zinc/57/71/86/558577186.db2.gz QUGWQVGWWDAWMU-SFHVURJKSA-N 0 0 406.504 3.196 40 0 HGABRN CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714284 558577927 /nfs/dbraw/zinc/57/79/27/558577927.db2.gz CKXXNGNAOKFVHZ-IBGZPJMESA-N 0 0 406.935 3.470 40 0 HGABRN CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714398 558578004 /nfs/dbraw/zinc/57/80/04/558578004.db2.gz WBNFQQSRBVIVMC-OAHLLOKOSA-N 0 0 410.879 3.252 40 0 HGABRN CC[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716570 558579637 /nfs/dbraw/zinc/57/96/37/558579637.db2.gz ZPGYIUMJMVVWOZ-HXUWFJFHSA-N 0 0 417.531 3.445 40 0 HGABRN COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000024040240 558585945 /nfs/dbraw/zinc/58/59/45/558585945.db2.gz USVQHYMXFLZIKG-UHFFFAOYSA-N 0 0 422.890 3.163 40 0 HGABRN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000039522723 558684689 /nfs/dbraw/zinc/68/46/89/558684689.db2.gz WWALFSYUGVQEPT-SFHVURJKSA-N 0 0 417.465 3.197 40 0 HGABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCc2ccc(OC)cc2)cc1 ZINC000028198207 558692273 /nfs/dbraw/zinc/69/22/73/558692273.db2.gz SCQHGDNWQZPALW-UHFFFAOYSA-N 0 0 418.559 3.017 40 0 HGABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 ZINC000015080769 558718896 /nfs/dbraw/zinc/71/88/96/558718896.db2.gz RBBSMMGJZUGOLY-UHFFFAOYSA-N 0 0 402.516 3.258 40 0 HGABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccccc1Cl ZINC000030064207 558727036 /nfs/dbraw/zinc/72/70/36/558727036.db2.gz HBDZMVLLNVCKEF-UHFFFAOYSA-N 0 0 424.975 3.413 40 0 HGABRN CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000015306042 558731481 /nfs/dbraw/zinc/73/14/81/558731481.db2.gz LIFZYXVQVWKFIF-UHFFFAOYSA-N 0 0 420.556 3.001 40 0 HGABRN COc1ccc(S[C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1OC ZINC000030751384 558736133 /nfs/dbraw/zinc/73/61/33/558736133.db2.gz NQTSHQXVFOAPSE-CYBMUJFWSA-N 0 0 424.544 3.219 40 0 HGABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1 ZINC000030754717 558736924 /nfs/dbraw/zinc/73/69/24/558736924.db2.gz FFYZRKJDYYTOCC-UHFFFAOYSA-N 0 0 416.499 3.041 40 0 HGABRN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NCc3ccccc3-n3cccn3)c12 ZINC000036619286 558737733 /nfs/dbraw/zinc/73/77/33/558737733.db2.gz WQWFDUNYPHIQHM-UHFFFAOYSA-N 0 0 413.441 3.047 40 0 HGABRN COc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1OC ZINC000030852060 558740172 /nfs/dbraw/zinc/74/01/72/558740172.db2.gz QLKFXXLDZRRVKR-NSHDSACASA-N 0 0 412.895 3.220 40 0 HGABRN COC(=O)c1cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc(C(=O)OC)c1 ZINC000030942940 558745802 /nfs/dbraw/zinc/74/58/02/558745802.db2.gz SLXWOUXZMMHRKX-UHFFFAOYSA-N 0 0 407.426 3.065 40 0 HGABRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c(OC)c1 ZINC000015654368 558747645 /nfs/dbraw/zinc/74/76/45/558747645.db2.gz FDFZCLKARFFNCK-UHFFFAOYSA-N 0 0 404.488 3.049 40 0 HGABRN 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/nfs/dbraw/zinc/79/62/04/558796204.db2.gz NKOWRPJBMNKAOK-INIZCTEOSA-N 0 0 402.516 3.164 40 0 HGABRN COc1ccc(NC(=O)CCc2nc(-c3ccc(OC)c(OC)c3)no2)c(OC)c1 ZINC000016635694 558797220 /nfs/dbraw/zinc/79/72/20/558797220.db2.gz MVRSUIVRECAGLS-UHFFFAOYSA-N 0 0 413.430 3.342 40 0 HGABRN COCCCNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000036627538 558800410 /nfs/dbraw/zinc/80/04/10/558800410.db2.gz JREULPCEWZFIFZ-UHFFFAOYSA-N 0 0 419.069 3.084 40 0 HGABRN COc1ccc([C@@H](CN(C)C(=O)Cc2cc(C)ccc2OC)N2CCOCC2)cc1 ZINC000036741367 558802323 /nfs/dbraw/zinc/80/23/23/558802323.db2.gz GHZZEBURUKESME-JOCHJYFZSA-N 0 0 412.530 3.087 40 0 HGABRN O=C(Cc1nc2cc(Cl)ccc2[nH]1)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000036751936 558802652 /nfs/dbraw/zinc/80/26/52/558802652.db2.gz YIYBGUKMBZAHPY-UHFFFAOYSA-N 0 0 418.906 3.328 40 0 HGABRN CCCCNS(=O)(=O)c1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 ZINC000016740525 558803254 /nfs/dbraw/zinc/80/32/54/558803254.db2.gz DWRQYKMHCKHQEY-UHFFFAOYSA-N 0 0 424.592 3.189 40 0 HGABRN Cc1nn(C2CCCC2)cc1/C=c1\sc2n(c1=O)[C@@H]1C[C@](C)(N=2)Oc2ccccc21 ZINC000071785033 558805704 /nfs/dbraw/zinc/80/57/04/558805704.db2.gz AIRUMFCUUBVLNT-KJNJKLEXSA-N 0 0 420.538 3.080 40 0 HGABRN Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1CCCO ZINC000016757345 558805814 /nfs/dbraw/zinc/80/58/14/558805814.db2.gz VELPDOCQOZQNIR-UHFFFAOYSA-N 0 0 416.890 3.035 40 0 HGABRN CCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000038535169 558812703 /nfs/dbraw/zinc/81/27/03/558812703.db2.gz SKWGBRVFEAWDNI-UHFFFAOYSA-N 0 0 407.543 3.271 40 0 HGABRN CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038753936 558814206 /nfs/dbraw/zinc/81/42/06/558814206.db2.gz WJWOHXRGUZTBPQ-CQSZACIVSA-N 0 0 410.923 3.210 40 0 HGABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccc(Cl)cc21 ZINC000038756882 558814934 /nfs/dbraw/zinc/81/49/34/558814934.db2.gz IDWWGWASZULCQE-HNNXBMFYSA-N 0 0 401.271 3.159 40 0 HGABRN COc1ccc(N([C@@H](C)C(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000038771185 558815043 /nfs/dbraw/zinc/81/50/43/558815043.db2.gz OWEGDVRTOUDMSW-AWEZNQCLSA-N 0 0 410.923 3.162 40 0 HGABRN C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 ZINC000038832886 558817088 /nfs/dbraw/zinc/81/70/88/558817088.db2.gz FCBVLFPOHPFHBG-FOIQADDNSA-N 0 0 416.543 3.389 40 0 HGABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)O2 ZINC000038835049 558817802 /nfs/dbraw/zinc/81/78/02/558817802.db2.gz IVVGIVGNXRAHIP-INIZCTEOSA-N 0 0 415.298 3.468 40 0 HGABRN Cc1cc(NC(=O)CSC2=N/C(=C/c3cccnc3)C(=O)N2c2ccccc2)no1 ZINC000039426414 558821115 /nfs/dbraw/zinc/82/11/15/558821115.db2.gz QPBVFRVZMXTJDX-GZTJUZNOSA-N 0 0 419.466 3.494 40 0 HGABRN CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)NC1CCCCC1 ZINC000039762696 558822545 /nfs/dbraw/zinc/82/25/45/558822545.db2.gz PUUZGVMZUNMWCO-UHFFFAOYSA-N 0 0 418.563 3.447 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000039986167 558823839 /nfs/dbraw/zinc/82/38/39/558823839.db2.gz DISMBLWRUXSQJN-KRWDZBQOSA-N 0 0 404.532 3.282 40 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ZINC000019081371 558839601 /nfs/dbraw/zinc/83/96/01/558839601.db2.gz JMIFXMFRIKQKHL-HNNXBMFYSA-N 0 0 414.531 3.152 40 0 HGABRN Cc1ccc(NC(=O)c2c3c(sc2N2C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C2=O)CCC3)cc1 ZINC000036007143 558840233 /nfs/dbraw/zinc/84/02/33/558840233.db2.gz XAOGRONEMHVGDY-FDCRZUCXSA-N 0 0 422.506 3.464 40 0 HGABRN Cc1cc(C)n(-c2nc(C(=O)NCc3cccc(OC[C@H]4CCCO4)c3)cs2)n1 ZINC000019116475 558841917 /nfs/dbraw/zinc/84/19/17/558841917.db2.gz HKNNLARTDXCFIP-GOSISDBHSA-N 0 0 412.515 3.433 40 0 HGABRN Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)C(C)(C)C)C2)on1 ZINC000019122018 558843547 /nfs/dbraw/zinc/84/35/47/558843547.db2.gz VKKNQJIBFKZUHK-MRXNPFEDSA-N 0 0 413.522 3.029 40 0 HGABRN COCCn1cnc2cc(C(=O)NCC3(c4ccc(C)cc4)CCOCC3)ccc21 ZINC000019208745 558847664 /nfs/dbraw/zinc/84/76/64/558847664.db2.gz LGCBITSORJWNRK-UHFFFAOYSA-N 0 0 407.514 3.469 40 0 HGABRN Cc1ccc(CC(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1 ZINC000019209335 558847894 /nfs/dbraw/zinc/84/78/94/558847894.db2.gz 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FAARBRYUFCEMDA-QGZVFWFLSA-N 0 0 420.579 3.120 40 0 HGABRN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)c2ccccn2)C3)cc1OC ZINC000019561684 558922444 /nfs/dbraw/zinc/92/24/44/558922444.db2.gz WEMZQSXEYMKMQH-QZTJIDSGSA-N 0 0 419.485 3.497 40 0 HGABRN Cc1c2ccccc2[nH]c1C(=O)N1CCN(Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019565839 558925736 /nfs/dbraw/zinc/92/57/36/558925736.db2.gz ZUSCOCLKBYVNSY-UHFFFAOYSA-N 0 0 414.513 3.230 40 0 HGABRN Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)c1 ZINC000019569655 558928645 /nfs/dbraw/zinc/92/86/45/558928645.db2.gz LGVNOOYKBYGHLF-ZWKOTPCHSA-N 0 0 418.497 3.232 40 0 HGABRN C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1nc2cc(-c3ccccc3F)ncn2n1 ZINC000019574509 558932149 /nfs/dbraw/zinc/93/21/49/558932149.db2.gz VITPLCLMUYNIKB-QKKBWIMNSA-N 0 0 417.444 3.422 40 0 HGABRN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000019577736 558933523 /nfs/dbraw/zinc/93/35/23/558933523.db2.gz URFPUVFMJIYZHJ-GOEBONIOSA-N 0 0 410.444 3.203 40 0 HGABRN Cc1nn(C[C@@H](C)C(=O)N2CC[C@H](c3cc4ncccc4c(=O)[nH]3)C2)c(C)c1Cl ZINC000019578048 558933771 /nfs/dbraw/zinc/93/37/71/558933771.db2.gz UTVVOJQVJXNTPQ-DOMZBBRYSA-N 0 0 413.909 3.042 40 0 HGABRN CCn1ccnc1CN1CCN(CC)C(=O)[C@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019578121 558933795 /nfs/dbraw/zinc/93/37/95/558933795.db2.gz QDJRATZGEHZLBA-JOCHJYFZSA-N 0 0 417.557 3.488 40 0 HGABRN CN1CC[C@@]2(C[C@H](NC(=O)c3ccc4c(c3)OCO4)c3ccccc3O2)CCC1=O ZINC000072327752 558934191 /nfs/dbraw/zinc/93/41/91/558934191.db2.gz VRPJOPBZRYVUOD-GAJHUEQPSA-N 0 0 408.454 3.050 40 0 HGABRN COc1cccc(CC(=O)N2CCC[C@@H](c3ccnc4nc(C(F)(F)F)nn43)C2)c1 ZINC000072334993 558936006 /nfs/dbraw/zinc/93/60/06/558936006.db2.gz FCIPABSDELVYJH-CQSZACIVSA-N 0 0 419.407 3.100 40 0 HGABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](C(=O)c2cnn(-c3ccccc3)c2N)C1 ZINC000019580651 558936272 /nfs/dbraw/zinc/93/62/72/558936272.db2.gz PLPINNWUWPBQPP-KRWDZBQOSA-N 0 0 421.501 3.113 40 0 HGABRN CC(C)c1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000059471982 558936818 /nfs/dbraw/zinc/93/68/18/558936818.db2.gz VBACIERTHKUDBF-UHFFFAOYSA-N 0 0 424.950 3.425 40 0 HGABRN Cc1cc(C)n(-c2cccc(CN3CCc4c(=O)[nH]c(-c5ccncc5)nc4C3)c2)n1 ZINC000072336840 558937450 /nfs/dbraw/zinc/93/74/50/558937450.db2.gz UEJTXZCPRGSSOT-UHFFFAOYSA-N 0 0 412.497 3.193 40 0 HGABRN CN(C)c1ncc(C(=O)N2CCC([C@@H]3CC(=O)c4cc(Cl)ccc4O3)CC2)cn1 ZINC000072336697 558937471 /nfs/dbraw/zinc/93/74/71/558937471.db2.gz CLSITFUFUJHCKH-IBGZPJMESA-N 0 0 414.893 3.082 40 0 HGABRN COc1ccc2cnc(C3CCN(CC(=O)[C@@H](C)N4CCOCC4)CC3)cc2c1C ZINC000019582707 558937563 /nfs/dbraw/zinc/93/75/63/558937563.db2.gz XKARHYVJAFOIKI-GOSISDBHSA-N 0 0 411.546 3.021 40 0 HGABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)CCOC)C1 ZINC000019591083 558941373 /nfs/dbraw/zinc/94/13/73/558941373.db2.gz SKBXLSHPLJCXPY-QFIPXVFZSA-N 0 0 400.544 3.349 40 0 HGABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)c2ccccn2)C1 ZINC000019591216 558941420 /nfs/dbraw/zinc/94/14/20/558941420.db2.gz DEHRYUKUXRIVFZ-RUZDIDTESA-N 0 0 414.509 3.355 40 0 HGABRN Cn1cc(-c2ccncc2)c(-c2ccc(CNC(=O)COC[C@H]3CCCCO3)cc2)n1 ZINC000072344966 558941471 /nfs/dbraw/zinc/94/14/71/558941471.db2.gz VHGAMZPXDUTFDR-OAQYLSRUSA-N 0 0 420.513 3.351 40 0 HGABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)CC2CCCC2)CCO1 ZINC000019591808 558942437 /nfs/dbraw/zinc/94/24/37/558942437.db2.gz UYSKEJGBKXRDKS-RUZDIDTESA-N 0 0 421.541 3.215 40 0 HGABRN CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccn[nH]2)nc(C2CC2)n1 ZINC000019592113 558942822 /nfs/dbraw/zinc/94/28/22/558942822.db2.gz PMZALDMBSIUEOA-GOSISDBHSA-N 0 0 401.474 3.314 40 0 HGABRN COCc1ccc(C(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019594430 558945315 /nfs/dbraw/zinc/94/53/15/558945315.db2.gz GDKKURDJGCMTHF-FDDCHVKYSA-N 0 0 414.452 3.390 40 0 HGABRN Cc1nc2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c2c(=O)[nH]1 ZINC000072350871 558947702 /nfs/dbraw/zinc/94/77/02/558947702.db2.gz NJVTZNVDOQEYOT-GFCCVEGCSA-N 0 0 417.391 3.060 40 0 HGABRN COc1ccc(OC)c(CN2CCNC(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)c1 ZINC000072351870 558948104 /nfs/dbraw/zinc/94/81/04/558948104.db2.gz PYWBEKDRNYERND-HSZRJFAPSA-N 0 0 417.509 3.309 40 0 HGABRN CCN(CC)S(=O)(=O)N1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353308 558950189 /nfs/dbraw/zinc/95/01/89/558950189.db2.gz MBKKJYKFKXEEIO-KRWDZBQOSA-N 0 0 403.552 3.295 40 0 HGABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 ZINC000072354632 558951825 /nfs/dbraw/zinc/95/18/25/558951825.db2.gz KXDVUOHVIUEANY-SFHVURJKSA-N 0 0 421.888 3.455 40 0 HGABRN Cc1cc(C(=O)N2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)nc2ccccc12 ZINC000019660807 558951943 /nfs/dbraw/zinc/95/19/43/558951943.db2.gz QVBWAHKZDQDCTQ-HNNXBMFYSA-N 0 0 417.513 3.061 40 0 HGABRN COc1ccc(-c2n[nH]cc2CNC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)cc1 ZINC000019660994 558952206 /nfs/dbraw/zinc/95/22/06/558952206.db2.gz URRYIQVRFARQQK-QFIPXVFZSA-N 0 0 408.433 3.424 40 0 HGABRN COc1cccc(Cn2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cn2)c1 ZINC000019661593 558952721 /nfs/dbraw/zinc/95/27/21/558952721.db2.gz PUHDPPQXESSXCX-GOSISDBHSA-N 0 0 404.470 3.240 40 0 HGABRN COc1ccc(N2C[C@H](NC(=O)C3(c4cc(C)cc(C)c4)CCOCC3)CC2=O)cc1 ZINC000019662081 558953070 /nfs/dbraw/zinc/95/30/70/558953070.db2.gz SLDXRDOYEWOQAK-HXUWFJFHSA-N 0 0 422.525 3.282 40 0 HGABRN Cc1cc(C)n(-c2ccc(OCC(=O)N3CCC(Oc4cccc(C)c4)CC3)nn2)n1 ZINC000019665529 558955615 /nfs/dbraw/zinc/95/56/15/558955615.db2.gz CLLFAUDNZQSQQE-UHFFFAOYSA-N 0 0 421.501 3.036 40 0 HGABRN Cc1cc(Nc2cc([C@H]3CCCN3CC(=O)Nc3ccccc3F)nc(C)n2)n[nH]1 ZINC000072361478 558955936 /nfs/dbraw/zinc/95/59/36/558955936.db2.gz IRKAKGOJVBIROL-GOSISDBHSA-N 0 0 409.469 3.475 40 0 HGABRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)c2)n1 ZINC000019666452 558956226 /nfs/dbraw/zinc/95/62/26/558956226.db2.gz CRBIBFKKWCNZTB-HXUWFJFHSA-N 0 0 408.889 3.195 40 0 HGABRN CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C(C)(C)O)CC2)n1 ZINC000019687571 558957307 /nfs/dbraw/zinc/95/73/07/558957307.db2.gz WTBYRVZFTHMMLM-UHFFFAOYSA-N 0 0 402.926 3.340 40 0 HGABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 ZINC000072372691 558960373 /nfs/dbraw/zinc/96/03/73/558960373.db2.gz MHAYMQINSDLWSH-QGZVFWFLSA-N 0 0 414.491 3.054 40 0 HGABRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)n1 ZINC000072372690 558960413 /nfs/dbraw/zinc/96/04/13/558960413.db2.gz MHAYMQINSDLWSH-KRWDZBQOSA-N 0 0 414.491 3.054 40 0 HGABRN CCS(=O)(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(Cl)c2)C1 ZINC000019694525 558963168 /nfs/dbraw/zinc/96/31/68/558963168.db2.gz FMQMZVWBBVSRDX-OAHLLOKOSA-N 0 0 408.955 3.392 40 0 HGABRN CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000019694829 558963321 /nfs/dbraw/zinc/96/33/21/558963321.db2.gz JVORQSHSYKTQOS-LJQANCHMSA-N 0 0 418.545 3.282 40 0 HGABRN CC[C@@](Br)([C@H](O)c1ccc(Br)cc1)S(=O)(=O)CC ZINC000096521608 558963790 /nfs/dbraw/zinc/96/37/90/558963790.db2.gz YUUZMRMXLITBQE-NEPJUHHUSA-N 0 0 400.132 3.418 40 0 HGABRN O=S(=O)(CCc1ccccc1)N1CCC[C@H]1c1cncc(Nc2ccccn2)n1 ZINC000072376461 558965804 /nfs/dbraw/zinc/96/58/04/558965804.db2.gz KPSHVZKKTHQYDY-IBGZPJMESA-N 0 0 409.515 3.325 40 0 HGABRN COc1cc2c(cc1CN1CCC[C@@H]1c1cncc(Nc3cnccn3)n1)OCCO2 ZINC000072376432 558965902 /nfs/dbraw/zinc/96/59/02/558965902.db2.gz SNJCPVKJGPEDDN-QGZVFWFLSA-N 0 0 420.473 3.127 40 0 HGABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377933 558967041 /nfs/dbraw/zinc/96/70/41/558967041.db2.gz VDDHEHAMEDKUGI-FQEVSTJZSA-N 0 0 404.474 3.315 40 0 HGABRN O=C(CN1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1)N1CCCC1 ZINC000072378316 558967514 /nfs/dbraw/zinc/96/75/14/558967514.db2.gz OWMBBQYIWAGRQI-HXUWFJFHSA-N 0 0 402.926 3.444 40 0 HGABRN Cc1ncc(C(=O)N2CCC(c3ccc(C(=O)NC4CCCC4)cn3)CC2)c(C)n1 ZINC000019705833 558968335 /nfs/dbraw/zinc/96/83/35/558968335.db2.gz DWQKANNRGJKWFP-UHFFFAOYSA-N 0 0 407.518 3.181 40 0 HGABRN Cc1cc(C)nc(N2CCC(CNC(=O)CCCc3nc4ccccc4[nH]3)CC2)n1 ZINC000072389589 558969929 /nfs/dbraw/zinc/96/99/29/558969929.db2.gz HZRBAYNHQPIUHS-UHFFFAOYSA-N 0 0 406.534 3.325 40 0 HGABRN 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CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000020015310 558319797 /nfs/dbraw/zinc/31/97/97/558319797.db2.gz KRWAYPWCZUFGNG-UHFFFAOYSA-N 0 0 418.849 3.276 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)cc1 ZINC000020016765 558320379 /nfs/dbraw/zinc/32/03/79/558320379.db2.gz ZAPMABCZRFOSDT-CYBMUJFWSA-N 0 0 410.442 3.013 40 0 HGABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)Nc1cc(F)ccc1F ZINC000020019338 558320932 /nfs/dbraw/zinc/32/09/32/558320932.db2.gz JGQPHVWWCMJRGQ-UHFFFAOYSA-N 0 0 410.442 3.203 40 0 HGABRN O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 ZINC000012084973 558320937 /nfs/dbraw/zinc/32/09/37/558320937.db2.gz DEIKHXUESIMSQY-GFCCVEGCSA-N 0 0 405.886 3.428 40 0 HGABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000020023598 558321771 /nfs/dbraw/zinc/32/17/71/558321771.db2.gz WHZTVNFRHMWIMB-MRXNPFEDSA-N 0 0 404.532 3.192 40 0 HGABRN Cc1ccc(C2=NO[C@@H](CC3(C(=O)NCCc4ccncc4)CCOCC3)C2)cc1 ZINC000012088831 558323359 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Cc1cccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(C)(=O)=O)c1 ZINC000022327562 558478857 /nfs/dbraw/zinc/47/88/57/558478857.db2.gz FDKOSXLWDRLPIU-IBGZPJMESA-N 0 0 416.543 3.488 40 0 HGABRN COc1cccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000022330150 558479747 /nfs/dbraw/zinc/47/97/47/558479747.db2.gz RGDSCVBTHKYJFH-UHFFFAOYSA-N 0 0 418.559 3.334 40 0 HGABRN Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000022330279 558479753 /nfs/dbraw/zinc/47/97/53/558479753.db2.gz YTYJQCQKBYQTHK-GOSISDBHSA-N 0 0 418.559 3.468 40 0 HGABRN CCOc1ccccc1N(CC(=O)N[C@@H](CC)c1ccc(OC)cc1)S(C)(=O)=O ZINC000022333092 558480464 /nfs/dbraw/zinc/48/04/64/558480464.db2.gz FVITWTOREIVFFZ-SFHVURJKSA-N 0 0 420.531 3.127 40 0 HGABRN CC(C)Oc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(C)(=O)=O)cc1 ZINC000022400011 558487110 /nfs/dbraw/zinc/48/71/10/558487110.db2.gz XVEIJWCLKVWIJU-GOSISDBHSA-N 0 0 418.559 3.377 40 0 HGABRN CC(C)c1ccccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O ZINC000022401087 558487498 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CCOc1ccc(/C=c2\sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1OC ZINC000013547092 558538021 /nfs/dbraw/zinc/53/80/21/558538021.db2.gz NGWQNSDJCDZJCH-BOPFTXTBSA-N 0 0 413.886 3.426 40 0 HGABRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000013583258 558545558 /nfs/dbraw/zinc/54/55/58/558545558.db2.gz NNOJDTBIVVQNDR-UHFFFAOYSA-N 0 0 400.544 3.340 40 0 HGABRN C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000013612176 558548748 /nfs/dbraw/zinc/54/87/48/558548748.db2.gz SYQQNBYHRJCYPY-CYBMUJFWSA-N 0 0 423.332 3.193 40 0 HGABRN CCOc1ccccc1CCCNC(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000013612145 558548831 /nfs/dbraw/zinc/54/88/31/558548831.db2.gz XHHGSKDUWBTEAC-UHFFFAOYSA-N 0 0 418.559 3.163 40 0 HGABRN Cc1cc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)ccc1Br ZINC000013649197 558557883 /nfs/dbraw/zinc/55/78/83/558557883.db2.gz WTTITVOHPUHUKU-UHFFFAOYSA-N 0 0 423.332 3.113 40 0 HGABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)c1C ZINC000013670099 558561689 /nfs/dbraw/zinc/56/16/89/558561689.db2.gz OGVKRJGSMRFCLY-UHFFFAOYSA-N 0 0 404.488 3.210 40 0 HGABRN COc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1I ZINC000013670234 558561721 /nfs/dbraw/zinc/56/17/21/558561721.db2.gz BGNKRKCCHIIJQJ-UHFFFAOYSA-N 0 0 417.268 3.087 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCc1cccc(C)c1 ZINC000013670976 558562214 /nfs/dbraw/zinc/56/22/14/558562214.db2.gz HJMIUYLELOYKLH-UHFFFAOYSA-N 0 0 416.543 3.151 40 0 HGABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000013671668 558562791 /nfs/dbraw/zinc/56/27/91/558562791.db2.gz ISAPJROCHKDOAS-AWEZNQCLSA-N 0 0 422.478 3.104 40 0 HGABRN CCOc1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000013672175 558562931 /nfs/dbraw/zinc/56/29/31/558562931.db2.gz OFSIPMBUQQKNKS-CQSZACIVSA-N 0 0 410.923 3.210 40 0 HGABRN Cc1ccc(CN(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000023602476 558563259 /nfs/dbraw/zinc/56/32/59/558563259.db2.gz HIOAXNAWVLDKPH-SFHVURJKSA-N 0 0 404.507 3.193 40 0 HGABRN CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013681509 558566771 /nfs/dbraw/zinc/56/67/71/558566771.db2.gz ZZWBSFYVGCVFBM-GXTWGEPZSA-N 0 0 407.363 3.450 40 0 HGABRN CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714364 558577941 /nfs/dbraw/zinc/57/79/41/558577941.db2.gz DMJFFQNJUYWELV-GOSISDBHSA-N 0 0 410.923 3.210 40 0 HGABRN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000014373322 558653744 /nfs/dbraw/zinc/65/37/44/558653744.db2.gz BKUSKPXCWIQSSB-UHFFFAOYSA-N 0 0 415.298 3.267 40 0 HGABRN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000014936329 558679752 /nfs/dbraw/zinc/67/97/52/558679752.db2.gz BHZNVQIBJBSVSH-DLBZAZTESA-N 0 0 404.507 3.412 40 0 HGABRN COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(Cl)ccc1OCc1ccccc1 ZINC000015016853 558702447 /nfs/dbraw/zinc/70/24/47/558702447.db2.gz FQPJSXZNCFFCGK-GOSISDBHSA-N 0 0 411.849 3.367 40 0 HGABRN O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(CN2CCOCC2)cc1 ZINC000029882048 558723364 /nfs/dbraw/zinc/72/33/64/558723364.db2.gz YBVGTCATXIXUTC-UHFFFAOYSA-N 0 0 408.420 3.233 40 0 HGABRN CCn1nccc1[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2)nc2c1cnn2C ZINC000036613519 558726687 /nfs/dbraw/zinc/72/66/87/558726687.db2.gz MGTSMPYTCAFPGM-AWEZNQCLSA-N 0 0 404.474 3.351 40 0 HGABRN C[C@H](CNC(=O)c1cc(C2CC2)nc2c1cnn2C)Cn1ccc(C(F)(F)F)n1 ZINC000036616068 558730596 /nfs/dbraw/zinc/73/05/96/558730596.db2.gz BMDCTRPTLNHOGG-LLVKDONJSA-N 0 0 406.412 3.127 40 0 HGABRN COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000030863221 558742043 /nfs/dbraw/zinc/74/20/43/558742043.db2.gz WTSINGKRDIBMSF-OAHLLOKOSA-N 0 0 424.950 3.470 40 0 HGABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)O2 ZINC000030938772 558745130 /nfs/dbraw/zinc/74/51/30/558745130.db2.gz MJLBCQWATCGCSE-MRXNPFEDSA-N 0 0 415.298 3.468 40 0 HGABRN COc1ccccc1CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000015739527 558751062 /nfs/dbraw/zinc/75/10/62/558751062.db2.gz ZSUAQDJGZYLHMV-UHFFFAOYSA-N 0 0 416.543 3.119 40 0 HGABRN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(Br)c1 ZINC000015737814 558751117 /nfs/dbraw/zinc/75/11/17/558751117.db2.gz FIUOIUGZDKLZSV-UHFFFAOYSA-N 0 0 415.284 3.156 40 0 HGABRN CCc1ccc(N(CC(=O)Nc2cccc(C(=O)OC)c2Cl)S(C)(=O)=O)cc1 ZINC000016161627 558774645 /nfs/dbraw/zinc/77/46/45/558774645.db2.gz RMYNWBNPRLGLEM-UHFFFAOYSA-N 0 0 424.906 3.094 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCCCCC2)cc1Cl ZINC000016187742 558776393 /nfs/dbraw/zinc/77/63/93/558776393.db2.gz WJEUJIDDLFCHCI-UHFFFAOYSA-N 0 0 402.944 3.198 40 0 HGABRN COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000016291000 558783973 /nfs/dbraw/zinc/78/39/73/558783973.db2.gz QNUCVHQQEPZNFC-UHFFFAOYSA-N 0 0 418.515 3.242 40 0 HGABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1ccccc1 ZINC000016576855 558796161 /nfs/dbraw/zinc/79/61/61/558796161.db2.gz NKOWRPJBMNKAOK-MRXNPFEDSA-N 0 0 402.516 3.164 40 0 HGABRN Cc1cc2ncn(CCC(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)c2cc1C ZINC000036752353 558802786 /nfs/dbraw/zinc/80/27/86/558802786.db2.gz IHJLFHQFIGVMBG-UHFFFAOYSA-N 0 0 412.515 3.004 40 0 HGABRN COC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)o1 ZINC000067794560 558803481 /nfs/dbraw/zinc/80/34/81/558803481.db2.gz HBCKWTMEQMLXTC-INIZCTEOSA-N 0 0 403.431 3.245 40 0 HGABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000038753437 558813924 /nfs/dbraw/zinc/81/39/24/558813924.db2.gz GXIWKAWQEGETHZ-UHFFFAOYSA-N 0 0 423.922 3.350 40 0 HGABRN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[nH]c(=O)c32)cc1 ZINC000038828376 558815966 /nfs/dbraw/zinc/81/59/66/558815966.db2.gz ICZUEABKUWZZRA-ZQIUZPCESA-N 0 0 423.517 3.164 40 0 HGABRN Cc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cc1 ZINC000038848798 558818310 /nfs/dbraw/zinc/81/83/10/558818310.db2.gz HJMWRSHDCQIWFS-HXUWFJFHSA-N 0 0 416.543 3.136 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(C(C)=O)c2)cc1C ZINC000039986206 558823965 /nfs/dbraw/zinc/82/39/65/558823965.db2.gz VMJINNWIZHPUCN-UHFFFAOYSA-N 0 0 418.515 3.246 40 0 HGABRN COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCC(C(N)=O)CC2)c(OC)c1 ZINC000082055961 558827538 /nfs/dbraw/zinc/82/75/38/558827538.db2.gz QQZZDZQSIIKNBJ-IBGZPJMESA-N 0 0 414.510 3.142 40 0 HGABRN Cc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000017963378 558828926 /nfs/dbraw/zinc/82/89/26/558828926.db2.gz SEQYEQFLXUJJAD-INIZCTEOSA-N 0 0 404.507 3.412 40 0 HGABRN CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC000019022259 558838097 /nfs/dbraw/zinc/83/80/97/558838097.db2.gz QYFOESCICDLJJD-UHFFFAOYSA-N 0 0 414.469 3.256 40 0 HGABRN COc1cccc([C@@H](NS(=O)(=O)c2cnc(NC(C)=O)s2)c2ccccc2)c1 ZINC000019022983 558838175 /nfs/dbraw/zinc/83/81/75/558838175.db2.gz SQDRSAYMNPPIOK-SFHVURJKSA-N 0 0 417.512 3.178 40 0 HGABRN CC(=O)Nc1cccc([C@@H]2CN(C(=O)c3ccccc3F)C[C@]23CCCCC(=O)N3)c1 ZINC000019022879 558838196 /nfs/dbraw/zinc/83/81/96/558838196.db2.gz VBEOBPWOKFCTJM-GBXCKJPGSA-N 0 0 423.488 3.453 40 0 HGABRN C[C@@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)n1ccnc1 ZINC000019080271 558839117 /nfs/dbraw/zinc/83/91/17/558839117.db2.gz ZBSVWNBAWUOJBA-INIZCTEOSA-N 0 0 404.449 3.325 40 0 HGABRN COc1ccc(CN2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)C(C)(C)C)C4)nc3C2)cc1 ZINC000019081060 558839225 /nfs/dbraw/zinc/83/92/25/558839225.db2.gz BKXHXTIWEHNAFO-KRWDZBQOSA-N 0 0 424.545 3.111 40 0 HGABRN CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccn4)CC3)ccc21 ZINC000019081438 558839565 /nfs/dbraw/zinc/83/95/65/558839565.db2.gz NFELNRUYUUPVDU-QFIPXVFZSA-N 0 0 422.573 3.263 40 0 HGABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)CC3)cc2N1 ZINC000019083423 558840615 /nfs/dbraw/zinc/84/06/15/558840615.db2.gz ZKHGSUBHWMZFOZ-UONOGXRCSA-N 0 0 408.490 3.356 40 0 HGABRN CC(C)(C)c1ccc(OCC(=O)N2CCO[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000019084525 558840866 /nfs/dbraw/zinc/84/08/66/558840866.db2.gz UNXHGBRORDFQFZ-IBGZPJMESA-N 0 0 422.485 3.408 40 0 HGABRN CC(C)(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(c2ccc4c(c2)OCO4)C3)c(=O)[nH]1 ZINC000019084379 558840867 /nfs/dbraw/zinc/84/08/67/558840867.db2.gz ZJNYTRLBDJONBX-LZFXEFOOSA-N 0 0 424.497 3.056 40 0 HGABRN Cc1cc(N2CCN(C(=O)c3cccc(Cn4cncn4)c3)CC2)nc2ccccc12 ZINC000019118981 558842582 /nfs/dbraw/zinc/84/25/82/558842582.db2.gz GKIMDFMIWKOICA-UHFFFAOYSA-N 0 0 412.497 3.145 40 0 HGABRN Cc1cc(-c2cn(C)nc2[C@@H]2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)on1 ZINC000019121511 558843208 /nfs/dbraw/zinc/84/32/08/558843208.db2.gz VZQAFXYLECYATE-ZDUSSCGKSA-N 0 0 408.384 3.113 40 0 HGABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)c3c(F)cccc3F)CC2)on1 ZINC000019121205 558843235 /nfs/dbraw/zinc/84/32/35/558843235.db2.gz LQBCZYMBBIILFC-UHFFFAOYSA-N 0 0 400.385 3.444 40 0 HGABRN COCCn1c(C)cc2cc(NC(=O)[C@@H](C)Sc3nc(C)c(C)c(=O)[nH]3)ccc21 ZINC000019126255 558844545 /nfs/dbraw/zinc/84/45/45/558844545.db2.gz XKDWIVRFLFRGCT-OAHLLOKOSA-N 0 0 414.531 3.416 40 0 HGABRN Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C(C)C)CC4)cc1 ZINC000019135256 558845892 /nfs/dbraw/zinc/84/58/92/558845892.db2.gz NBXUYSNTFSOESZ-NRFANRHFSA-N 0 0 419.529 3.487 40 0 HGABRN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)cc1 ZINC000019135392 558846163 /nfs/dbraw/zinc/84/61/63/558846163.db2.gz OBIOWJSKRRUEJI-FQEVSTJZSA-N 0 0 420.513 3.153 40 0 HGABRN Cc1scc(C(=O)N[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]32)c1C ZINC000019211890 558848565 /nfs/dbraw/zinc/84/85/65/558848565.db2.gz CYEXEOSHJBALGE-AYBZRNKSSA-N 0 0 404.557 3.112 40 0 HGABRN Cc1ccc(O[C@H](C)C(=O)NCc2ccc(-c3ccnc4ncnn43)cc2)cc1C ZINC000019214234 558849695 /nfs/dbraw/zinc/84/96/95/558849695.db2.gz ZZOFHNHQRLTKGL-QGZVFWFLSA-N 0 0 401.470 3.492 40 0 HGABRN Cc1cc(C(F)F)nn1CC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 ZINC000019218231 558850996 /nfs/dbraw/zinc/85/09/96/558850996.db2.gz IYIRBUQWBYZWBD-UHFFFAOYSA-N 0 0 403.429 3.464 40 0 HGABRN Cc1csc(NC(=O)[C@H](C)N2CC3(CCOCC3)Oc3ccc(C)cc3C2=O)n1 ZINC000019218677 558851148 /nfs/dbraw/zinc/85/11/48/558851148.db2.gz GMPFTAVNQLYJBZ-HNNXBMFYSA-N 0 0 415.515 3.171 40 0 HGABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1ccc2c(c1)OCO2 ZINC000019219981 558851498 /nfs/dbraw/zinc/85/14/98/558851498.db2.gz IUBCOASTGIGDMK-UHFFFAOYSA-N 0 0 418.371 3.487 40 0 HGABRN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000050629805 558853052 /nfs/dbraw/zinc/85/30/52/558853052.db2.gz PUOHVUQNAOYZDQ-FCEWJHQRSA-N 0 0 408.502 3.182 40 0 HGABRN Cc1ccccc1-c1noc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3)CCO2)n1 ZINC000019237527 558856772 /nfs/dbraw/zinc/85/67/72/558856772.db2.gz HYFAFBORBMKBKK-QGZVFWFLSA-N 0 0 419.890 3.461 40 0 HGABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc(N(C)C)n1 ZINC000019240904 558859318 /nfs/dbraw/zinc/85/93/18/558859318.db2.gz JRBKGOUTBVMPRP-FQEVSTJZSA-N 0 0 400.486 3.441 40 0 HGABRN Cc1nc2ccccc2c(=O)n1CCC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000019286602 558860435 /nfs/dbraw/zinc/86/04/35/558860435.db2.gz ABMOHDAVDRJCSH-QGZVFWFLSA-N 0 0 415.497 3.378 40 0 HGABRN Cc1nnnn1-c1ccc(CC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 ZINC000019288433 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407.599 3.146 40 0 biogenic,in-vitro HGABRN COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl ZINC000031054936 558747725 /nfs/dbraw/zinc/74/77/25/558747725.db2.gz CVNMTYAGDVWSIC-UHFFFAOYSA-N 0 0 422.890 3.163 40 0 HGABRN COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c1OC ZINC000031860793 558753234 /nfs/dbraw/zinc/75/32/34/558753234.db2.gz HDTMGYJCRVULBM-ZGFCVWDJSA-N 0 0 413.470 3.251 40 0 HGABRN CC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000016139109 558773666 /nfs/dbraw/zinc/77/36/66/558773666.db2.gz HXFLKNBXMUBAIQ-UHFFFAOYSA-N 0 0 422.304 3.300 40 0 HGABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000016188469 558776976 /nfs/dbraw/zinc/77/69/76/558776976.db2.gz VYVDRANRXNDOAG-UHFFFAOYSA-N 0 0 414.936 3.330 40 0 HGABRN O=C1OC(c2ccc(C3=N/C(=C\c4ccncc4)C(=O)O3)cc2)=N/C1=C\c1ccncc1 ZINC000016401218 558789952 /nfs/dbraw/zinc/78/99/52/558789952.db2.gz QNZYWHBNZGANMH-AXPXABNXSA-N 0 0 422.400 3.166 40 0 HGABRN COC(=O)c1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)o1 ZINC000067794557 558803400 /nfs/dbraw/zinc/80/34/00/558803400.db2.gz HBCKWTMEQMLXTC-MRXNPFEDSA-N 0 0 403.431 3.245 40 0 HGABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000038772318 558815405 /nfs/dbraw/zinc/81/54/05/558815405.db2.gz UUMMZYDNOKVUJJ-LBPRGKRZSA-N 0 0 414.886 3.131 40 0 HGABRN CN(Cc1ccccc1)C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000038832925 558817067 /nfs/dbraw/zinc/81/70/67/558817067.db2.gz AYNRAONGYRTTML-HXUWFJFHSA-N 0 0 416.543 3.170 40 0 HGABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2Cl)Oc2ccc(Cl)cc21 ZINC000038833799 558817280 /nfs/dbraw/zinc/81/72/80/558817280.db2.gz SPDQHAXTSWWQRL-OAHLLOKOSA-N 0 0 401.271 3.159 40 0 HGABRN COc1ccc2c(c1OC)[C@@H](CC(C)=O)N1CCc3cc4c(cc3[C@@H]1C2=O)OCO4 ZINC000039546136 558822365 /nfs/dbraw/zinc/82/23/65/558822365.db2.gz WCUHXCUQWAQCHR-IIBYNOLFSA-N 0 0 409.438 3.248 40 0 HGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@H]1c1cccs1 ZINC000017094057 558822531 /nfs/dbraw/zinc/82/25/31/558822531.db2.gz FZTWRHMZDUZTFG-WPNIOXTASA-N 0 0 424.547 3.168 40 0 HGABRN COc1cccc(/C=c2/sc3nc(/C=C/c4ccc(C)cc4)nn3c2=O)c1OC ZINC000039835422 558822745 /nfs/dbraw/zinc/82/27/45/558822745.db2.gz CFNZARHXASTLTQ-RZMWGWOTSA-N 0 0 405.479 3.195 40 0 HGABRN CCN(CC(=O)Nc1ccccc1SC)S(=O)(=O)c1cc(F)ccc1OC ZINC000039986371 558824089 /nfs/dbraw/zinc/82/40/89/558824089.db2.gz HJNNNLYOEZOHGI-UHFFFAOYSA-N 0 0 412.508 3.206 40 0 HGABRN CC[C@]1(C)Cc2c(sc3c2[C@H](N)N=C(SCC(=O)N2CCCCC2)N3)CO1 ZINC000017945396 558828796 /nfs/dbraw/zinc/82/87/96/558828796.db2.gz MORBRIGSHHLQON-VQIMIIECSA-N 0 0 408.593 3.283 40 0 HGABRN CC(=O)N1CCc2cc(S(=O)(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)ccc21 ZINC000019019253 558837469 /nfs/dbraw/zinc/83/74/69/558837469.db2.gz WDYWDATYAKMBFI-QGZVFWFLSA-N 0 0 424.526 3.040 40 0 HGABRN C[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019077646 558838526 /nfs/dbraw/zinc/83/85/26/558838526.db2.gz ZGSSUQIKRBYDCN-HUUCEWRRSA-N 0 0 408.433 3.167 40 0 HGABRN C[C@H](C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1)n1cnc2ccccc21 ZINC000019078454 558838640 /nfs/dbraw/zinc/83/86/40/558838640.db2.gz TUZFPDAVGVNNJF-WBVHZDCISA-N 0 0 402.458 3.449 40 0 HGABRN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(C)(C)C)n2ncnc2n1)CC3 ZINC000019083873 558840562 /nfs/dbraw/zinc/84/05/62/558840562.db2.gz HNGNIBPINYJGIN-UHFFFAOYSA-N 0 0 404.474 3.110 40 0 HGABRN CC(C)C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1cccs1)CC2 ZINC000019085692 558841390 /nfs/dbraw/zinc/84/13/90/558841390.db2.gz PCNPBXOWSQKIKU-INIZCTEOSA-N 0 0 414.531 3.152 40 0 HGABRN Cc1cc(C)nc(S[C@H](C)C(=O)N2CCC[C@H](c3nc(-c4cccnc4)no3)C2)n1 ZINC000019118829 558842521 /nfs/dbraw/zinc/84/25/21/558842521.db2.gz JKTNPLXWARARNX-WBVHZDCISA-N 0 0 424.530 3.425 40 0 HGABRN Cc1cc(-c2cn(C)nc2[C@H]2CCCN2C(=O)c2cc(C(F)(F)F)n(C)n2)on1 ZINC000019121514 558843195 /nfs/dbraw/zinc/84/31/95/558843195.db2.gz VZQAFXYLECYATE-CYBMUJFWSA-N 0 0 408.384 3.113 40 0 HGABRN Cc1cc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3-c3cc(C)no3)CC2)on1 ZINC000019123006 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558889672 /nfs/dbraw/zinc/88/96/72/558889672.db2.gz PVSBBEBRNUQMCH-UHFFFAOYSA-N 0 0 422.934 3.453 40 0 HGABRN Cc1ccc2c(c1)cc(CN(Cc1nnnn1C(C)(C)C)C1CCCC1)c1nnnn12 ZINC000057679023 558889765 /nfs/dbraw/zinc/88/97/65/558889765.db2.gz WZJKNEQMKCUOBP-UHFFFAOYSA-N 0 0 419.537 3.272 40 0 HGABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC000019452044 558889916 /nfs/dbraw/zinc/88/99/16/558889916.db2.gz ULODZIPKEQIKON-GFCCVEGCSA-N 0 0 422.411 3.363 40 0 HGABRN CCC(=O)N1CCc2cc(C(=O)CN3CCC(O)(c4ccccc4F)CC3)ccc21 ZINC000057811718 558890867 /nfs/dbraw/zinc/89/08/67/558890867.db2.gz FZMUNDMQQLGAJO-UHFFFAOYSA-N 0 0 410.489 3.291 40 0 HGABRN CC(C)n1cnc2cc(C(=O)N3CCO[C@H](c4nc(-c5cccnc5)no4)C3)ccc21 ZINC000019455002 558891707 /nfs/dbraw/zinc/89/17/07/558891707.db2.gz NFXOENOVTIFLKI-IBGZPJMESA-N 0 0 418.457 3.276 40 0 HGABRN C[C@H](Cn1cncn1)C(=O)N[C@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019457842 558892533 /nfs/dbraw/zinc/89/25/33/558892533.db2.gz XPNAKSLQOVKOLN-YLJYHZDGSA-N 0 0 406.486 3.176 40 0 HGABRN CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O ZINC000019460249 558893399 /nfs/dbraw/zinc/89/33/99/558893399.db2.gz LOPJYYZSXNVPAJ-UHFFFAOYSA-N 0 0 410.470 3.464 40 0 HGABRN C[C@@H]1CCCC[C@H]1NC(=O)CN1CC2(CCOCC2)Oc2ccc(Cl)cc2C1=O ZINC000019496191 558895242 /nfs/dbraw/zinc/89/52/42/558895242.db2.gz YIJLTFNTMUWTKW-CRAIPNDOSA-N 0 0 420.937 3.419 40 0 HGABRN CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019499348 558897553 /nfs/dbraw/zinc/89/75/53/558897553.db2.gz HQYIRPDQUAHCLB-HNAYVOBHSA-N 0 0 422.460 3.145 40 0 HGABRN CCC(CC)C(=O)N1CCO[C@](Cc2ccc(-c3ccncc3)cc2)(C(=O)N(C)C)C1 ZINC000019500216 558898273 /nfs/dbraw/zinc/89/82/73/558898273.db2.gz KPRMWMKUHZYJLX-VWLOTQADSA-N 0 0 423.557 3.413 40 0 HGABRN CCS(=O)(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1ccccc1 ZINC000019520392 558901281 /nfs/dbraw/zinc/90/12/81/558901281.db2.gz XKBHTSAFQZBDFL-ACRUOGEOSA-N 0 0 416.518 3.106 40 0 HGABRN CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C1(c2ccc(OC)cc2)CC1 ZINC000019520544 558901485 /nfs/dbraw/zinc/90/14/85/558901485.db2.gz XHVCPHPNKYCLKB-IBGZPJMESA-N 0 0 409.530 3.147 40 0 HGABRN CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccncc1 ZINC000019521226 558902591 /nfs/dbraw/zinc/90/25/91/558902591.db2.gz GYPWGYKXEAKMRU-GOSISDBHSA-N 0 0 406.490 3.441 40 0 HGABRN CCc1noc(C)c1C(=O)N1CCC[C@@H](c2cc(NC)nc(-c3ccncc3)n2)C1 ZINC000019521208 558902598 /nfs/dbraw/zinc/90/25/98/558902598.db2.gz DSUISQUMCUPSAD-MRXNPFEDSA-N 0 0 406.490 3.459 40 0 HGABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000019521963 558903292 /nfs/dbraw/zinc/90/32/92/558903292.db2.gz NEFHVADEDRWQET-GFCCVEGCSA-N 0 0 422.411 3.192 40 0 HGABRN CCn1nc(C)c([C@@H](C)NC(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)c1C ZINC000019523775 558905163 /nfs/dbraw/zinc/90/51/63/558905163.db2.gz ZEXFNXIQBJBVRQ-RDTXWAMCSA-N 0 0 410.518 3.146 40 0 HGABRN CCn1ncc(S(=O)(=O)N2CCC[C@H](c3nc(C)n4c(C)csc34)C2)c1C ZINC000019524006 558905250 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422.485 3.404 40 0 HGABRN CCC[NH+]1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000071980325 558916959 /nfs/dbraw/zinc/91/69/59/558916959.db2.gz VGOKGGJEMONONW-NRFANRHFSA-N 0 0 408.498 3.481 40 0 HGABRN COc1ccc(S(=O)(=O)N2Cc3ccc(OC)cc3C[C@H]2C2CCOCC2)cc1 ZINC000019557155 558919427 /nfs/dbraw/zinc/91/94/27/558919427.db2.gz MUZZVPMROAIECE-QFIPXVFZSA-N 0 0 417.527 3.246 40 0 HGABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2cccnc2)c1C ZINC000019558477 558920123 /nfs/dbraw/zinc/92/01/23/558920123.db2.gz CVIPPESTUJBODB-GOSISDBHSA-N 0 0 406.490 3.116 40 0 HGABRN Cc1ncsc1C(=O)NC1CCN(Cc2cc(-c3scnc3C)nn2C)CC1 ZINC000019562495 558923088 /nfs/dbraw/zinc/92/30/88/558923088.db2.gz QPWGKMWLJDMPCS-UHFFFAOYSA-N 0 0 416.576 3.011 40 0 HGABRN Cc1noc2nc(C3CCN(C(=O)CCCn4cncn4)CC3)cc(C(F)F)c12 ZINC000019564672 558924705 /nfs/dbraw/zinc/92/47/05/558924705.db2.gz BIZTWOOZOFPTKD-UHFFFAOYSA-N 0 0 404.421 3.247 40 0 HGABRN COc1cccc(CN2CCO[C@](Cc3cccc(-c4cccnc4)c3)(C(N)=O)C2)c1 ZINC000019565390 558925508 /nfs/dbraw/zinc/92/55/08/558925508.db2.gz YSBZYRZUYRKBHZ-VWLOTQADSA-N 0 0 417.509 3.056 40 0 HGABRN Cc1[nH]nc2oc(=O)c(CC(=O)NCC3(c4cc(C)cc(C)c4)CCOCC3)c(C)c12 ZINC000019569549 558928477 /nfs/dbraw/zinc/92/84/77/558928477.db2.gz NWRRBPCNBYSKIJ-UHFFFAOYSA-N 0 0 423.513 3.157 40 0 HGABRN COc1ccccc1CCC(=O)N1CCC[C@@H]1c1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000019569852 558928670 /nfs/dbraw/zinc/92/86/70/558928670.db2.gz IOMLVGMPUSOXND-LJQANCHMSA-N 0 0 404.470 3.137 40 0 HGABRN COc1ccccc1N1C[C@H](c2cc(=O)[nH]c(NCc3cccc(F)c3)n2)CC1=O ZINC000019571112 558929867 /nfs/dbraw/zinc/92/98/67/558929867.db2.gz ADSALEXHCMHWSG-OAHLLOKOSA-N 0 0 408.433 3.050 40 0 HGABRN Cc1cc(C)n(-c2cccc(C(=O)N[C@@H](Cn3nc(C4CC4)ccc3=O)C(C)C)c2)n1 ZINC000019574762 558932479 /nfs/dbraw/zinc/93/24/79/558932479.db2.gz RAWDCLIAPISASN-QFIPXVFZSA-N 0 0 419.529 3.378 40 0 HGABRN C[C@]12CC[C@H](C[C@@H]1C(=O)N=c1[nH]c3ccccc3[nH]1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326542 558933619 /nfs/dbraw/zinc/93/36/19/558933619.db2.gz 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Cn1nc(C(C)(C)C)cc1C(=O)N1CCC2(C[C@](O)(c3ccc(F)cc3)CO2)CC1 ZINC000072335658 558936972 /nfs/dbraw/zinc/93/69/72/558936972.db2.gz SYLWHFKQAZBHQE-HSZRJFAPSA-N 0 0 415.509 3.140 40 0 HGABRN Cc1sc2nc(C3CC3)n(C3CCN(C(=O)[C@@H]4CCCO4)CC3)c(=O)c2c1C ZINC000072335678 558937001 /nfs/dbraw/zinc/93/70/01/558937001.db2.gz NFWMDHSDZSLREH-INIZCTEOSA-N 0 0 401.532 3.295 40 0 HGABRN COc1ccc([C@H](CN(C)C(=O)Cc2ccc3c(c2)CCC3)N2CCOCC2)cc1 ZINC000019585959 558939185 /nfs/dbraw/zinc/93/91/85/558939185.db2.gz LXSULZWOJYOFGS-DEOSSOPVSA-N 0 0 408.542 3.258 40 0 HGABRN CN(CCc1ccccc1)c1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000019586230 558939435 /nfs/dbraw/zinc/93/94/35/558939435.db2.gz SFRLJTPHXQWCFW-KRWDZBQOSA-N 0 0 406.461 3.108 40 0 HGABRN CN1CCN(C(=O)[C@@H]2CCCO2)C[C@H](Cc2ccccc2-c2cccc(F)c2)C1=O ZINC000019589583 558940394 /nfs/dbraw/zinc/94/03/94/558940394.db2.gz OOOTXAJAUPRVEK-UGKGYDQZSA-N 0 0 410.489 3.131 40 0 HGABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2cnccn2)C1 ZINC000019591249 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ZINC000004235654 291233154 /nfs/dbraw/zinc/23/31/54/291233154.db2.gz FUNTVAREOSARAU-DOIPELPJSA-N 0 0 410.470 3.323 40 0 biogenic,in-vitro HGABRN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3nccs3)CCN21 ZINC000253408178 291233187 /nfs/dbraw/zinc/23/31/87/291233187.db2.gz XEFZXXRMFHSDPO-KRWDZBQOSA-N 0 0 404.967 3.217 40 0 biogenic,in-vitro HGABRN CC(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000067896792 291232266 /nfs/dbraw/zinc/23/22/66/291232266.db2.gz AVVGYIJOPLTZPU-UYAOXDASSA-N 0 0 422.403 3.125 40 0 biogenic,in-vitro HGABRN CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc(Cl)cc3)ccc(=O)n1C2 ZINC000004237400 291234034 /nfs/dbraw/zinc/23/40/34/291234034.db2.gz OLDDKULDTCLVSE-GOEBONIOSA-N 0 0 406.935 3.328 40 0 biogenic,in-vitro HGABRN COc1cc2c(cc1OC)CN(C(=O)c1c(-c3cccnc3)noc1[C@H](C)O)CC2 ZINC000253402632 291239096 /nfs/dbraw/zinc/23/90/96/291239096.db2.gz OMSVEQTZXKUEFF-ZDUSSCGKSA-N 0 0 409.442 3.006 40 0 biogenic,in-vitro HGABRN 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biogenic,in-vitro HGABRN COc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c(OC)c1 ZINC000005135885 132302024 /nfs/dbraw/zinc/30/20/24/132302024.db2.gz YVCXQTQHOMLGTF-UHFFFAOYSA-N 0 0 404.488 3.195 40 0 HGABRN COc1ccccc1[C@H]1CC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2C1 ZINC000010157303 132345364 /nfs/dbraw/zinc/34/53/64/132345364.db2.gz HFXFVDSXESCLKJ-QGZVFWFLSA-N 0 0 415.497 3.120 40 0 HGABRN CC1CCN(c2nc3c(c(=O)[nH]2)CCN(Cc2ccc(OC(F)(F)F)cc2)C3)CC1 ZINC000012182760 132355995 /nfs/dbraw/zinc/35/59/95/132355995.db2.gz JNYCSTANKJALSB-UHFFFAOYSA-N 0 0 422.451 3.463 40 0 HGABRN COCCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 ZINC000019706237 132468982 /nfs/dbraw/zinc/46/89/82/132468982.db2.gz MFLHCRHXAQHDEF-FQEVSTJZSA-N 0 0 409.534 3.223 40 0 HGABRN COCCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccn1)CCC2 ZINC000019706236 132468984 /nfs/dbraw/zinc/46/89/84/132468984.db2.gz MFLHCRHXAQHDEF-HXUWFJFHSA-N 0 0 409.534 3.223 40 0 HGABRN Cn1c2ccc(CCC(=O)NCc3cccc(N4CCCCC4)c3)cc2n(C)c1=O ZINC000019714245 132469202 /nfs/dbraw/zinc/46/92/02/132469202.db2.gz JPSWDABJZIJRSC-UHFFFAOYSA-N 0 0 406.530 3.116 40 0 HGABRN Cc1cc(C)c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 ZINC000030754898 132496993 /nfs/dbraw/zinc/49/69/93/132496993.db2.gz ILMYHZUVKDJYJU-KRWDZBQOSA-N 0 0 408.907 3.431 40 0 HGABRN CC(=O)c1cccc(N2C(SCc3cccc(F)c3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032639883 518423913 /nfs/dbraw/zinc/42/39/13/518423913.db2.gz ZRHFSMUKCWAJRR-RTBURBONSA-N 0 0 418.515 3.303 40 0 HGABRN CC(=O)c1cccc(N2C(SCc3ccc(F)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032639942 518424142 /nfs/dbraw/zinc/42/41/42/518424142.db2.gz YOTXVGJLEHRKLA-OALUTQOASA-N 0 0 418.515 3.303 40 0 HGABRN CC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466097 519701145 /nfs/dbraw/zinc/70/11/45/519701145.db2.gz HHVXTHDWGRNAJO-DIANJTMYSA-N 0 0 418.553 3.406 40 0 biogenic,in-vitro HGABRN CC(C)Oc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000043750674 519779294 /nfs/dbraw/zinc/77/92/94/519779294.db2.gz IJXAZRJZNMZGLD-UHFFFAOYSA-N 0 0 416.543 3.191 40 0 HGABRN CCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000032118545 519875950 /nfs/dbraw/zinc/87/59/50/519875950.db2.gz PDVOTZKGZMSABV-UHFFFAOYSA-N 0 0 410.923 3.379 40 0 HGABRN CCCC(=O)Nc1cc(Cl)ccc1OCc1cc(=O)n2c(ncn2C(C)C)n1 ZINC000041089775 519877313 /nfs/dbraw/zinc/87/73/13/519877313.db2.gz HXZUWXUPLGZPGH-UHFFFAOYSA-N 0 0 403.870 3.443 40 0 HGABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl ZINC000044846692 519905250 /nfs/dbraw/zinc/90/52/50/519905250.db2.gz DKMPWCGMKAMNHZ-UHFFFAOYSA-N 0 0 409.895 3.104 40 0 HGABRN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cccc(Nc3ncccc3C)n2)C1 ZINC000072376012 520774239 /nfs/dbraw/zinc/77/42/39/520774239.db2.gz LNWGQTHUHBHRLB-QGZVFWFLSA-N 0 0 403.552 3.295 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000020013894 521188911 /nfs/dbraw/zinc/18/89/11/521188911.db2.gz XWCYGFHBNZTHKA-NRFANRHFSA-N 0 0 416.543 3.290 40 0 HGABRN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000020457291 521471259 /nfs/dbraw/zinc/47/12/59/521471259.db2.gz OTCMDQZSYRJDQB-UHFFFAOYSA-N 0 0 402.472 3.099 40 0 HGABRN CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 ZINC000040399637 521903038 /nfs/dbraw/zinc/90/30/38/521903038.db2.gz BVDWJMOQOADJSK-HNNXBMFYSA-N 0 0 421.432 3.280 40 0 HGABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000020005902 522208539 /nfs/dbraw/zinc/20/85/39/522208539.db2.gz IJUIIVGIXPJMSX-KDOFPFPSSA-N 0 0 424.950 3.153 40 0 HGABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000044947857 522223607 /nfs/dbraw/zinc/22/36/07/522223607.db2.gz VGEDTDPOHHYPGY-GFCCVEGCSA-N 0 0 423.922 3.492 40 0 HGABRN COCC(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1 ZINC000072391551 522738771 /nfs/dbraw/zinc/73/87/71/522738771.db2.gz DQDDQCHHPBBHGN-XMMPIXPASA-N 0 0 412.505 3.379 40 0 HGABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000044844016 523035477 /nfs/dbraw/zinc/03/54/77/523035477.db2.gz NOLZQPVWPISCMO-HXUWFJFHSA-N 0 0 416.543 3.300 40 0 HGABRN CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000044850336 523225787 /nfs/dbraw/zinc/22/57/87/523225787.db2.gz RVDNOQDZLWVBBU-UHFFFAOYSA-N 0 0 401.315 3.418 40 0 HGABRN COCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 ZINC000020485727 523368690 /nfs/dbraw/zinc/36/86/90/523368690.db2.gz ZUEAZXIVGNDNJZ-UHFFFAOYSA-N 0 0 418.515 3.201 40 0 HGABRN CO[C@@H]1CCC[C@@H](C(=O)N2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)C1 ZINC000072395582 523606104 /nfs/dbraw/zinc/60/61/04/523606104.db2.gz YORHETNOHKQTSO-LVQVYYBASA-N 0 0 415.460 3.010 40 0 HGABRN COc1ccc(C(=O)N[C@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)cc1OC ZINC000072327743 523740956 /nfs/dbraw/zinc/74/09/56/523740956.db2.gz BGNVYNVRWZXQBH-UUOWRZLLSA-N 0 0 424.497 3.339 40 0 HGABRN C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 ZINC000020037942 524188102 /nfs/dbraw/zinc/18/81/02/524188102.db2.gz KZPFCWPFKREWPP-CQSZACIVSA-N 0 0 416.946 3.279 40 0 HGABRN Cc1cccc(C)c1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000044842826 524264856 /nfs/dbraw/zinc/26/48/56/524264856.db2.gz XBTUGDADDHFWOA-UHFFFAOYSA-N 0 0 404.532 3.173 40 0 HGABRN Cc1cccc(C)c1NC(=S)c1c(N)[nH]c(N2CCc3ccccc3C2)nc1=O ZINC000040385580 524299764 /nfs/dbraw/zinc/29/97/64/524299764.db2.gz SBYLMOQWFKXEIV-UHFFFAOYSA-N 0 0 405.527 3.319 40 0 HGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000020030193 524356724 /nfs/dbraw/zinc/35/67/24/524356724.db2.gz HQIMWCZTZYMXQY-CYBMUJFWSA-N 0 0 408.545 3.304 40 0 HGABRN COc1ccc(NC(=O)[C@@]2(C)CCN(c3ccc(Cl)cc3)S2(=O)=O)c(OC)c1 ZINC000225946578 524602938 /nfs/dbraw/zinc/60/29/38/524602938.db2.gz ZSNBUTAQTSVGNX-LJQANCHMSA-N 0 0 424.906 3.295 40 0 HGABRN C[C@@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000032476014 524642847 /nfs/dbraw/zinc/64/28/47/524642847.db2.gz XWFUKPRFKJEIPN-SFHVURJKSA-N 0 0 400.544 3.148 40 0 HGABRN COc1ccccc1OCC(=O)N1N=C(c2ccc(C)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101121 524659229 /nfs/dbraw/zinc/65/92/29/524659229.db2.gz YWAKQQCEFIKQLJ-LJQANCHMSA-N 0 0 408.376 3.270 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000045174100 525020186 /nfs/dbraw/zinc/02/01/86/525020186.db2.gz LNJKJJRFVVCYAE-QGZVFWFLSA-N 0 0 416.543 3.282 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1SC ZINC000044899674 525024964 /nfs/dbraw/zinc/02/49/64/525024964.db2.gz LQBSSUNZQZBDQO-UHFFFAOYSA-N 0 0 406.529 3.454 40 0 HGABRN COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000020107345 525102878 /nfs/dbraw/zinc/10/28/78/525102878.db2.gz FHHCZEAYSBBATG-UHFFFAOYSA-N 0 0 406.529 3.211 40 0 HGABRN COc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OC ZINC000044884664 525141906 /nfs/dbraw/zinc/14/19/06/525141906.db2.gz KDGHCLWEZBLJCM-LLVKDONJSA-N 0 0 412.895 3.220 40 0 HGABRN CS(=O)(=O)N1CC[C@@H](C(=O)NCCCc2ccc(Cl)cc2)Oc2ccccc21 ZINC000044906445 525177888 /nfs/dbraw/zinc/17/78/88/525177888.db2.gz BAMQYERJUGKBQI-IBGZPJMESA-N 0 0 422.934 3.006 40 0 HGABRN CS(=O)(=O)N1C[C@H](C(=O)N[C@@H]2CCCc3ccccc32)Oc2ccc(Cl)cc21 ZINC000020493930 525187915 /nfs/dbraw/zinc/18/79/15/525187915.db2.gz GQIUBHDVAPYQJN-VQIMIIECSA-N 0 0 420.918 3.061 40 0 HGABRN CS(=O)(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000225945879 525207361 /nfs/dbraw/zinc/20/73/61/525207361.db2.gz MAAHDJHOAWRPMD-HNNXBMFYSA-N 0 0 415.284 3.207 40 0 HGABRN COc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1OC ZINC000044884661 525313564 /nfs/dbraw/zinc/31/35/64/525313564.db2.gz KDGHCLWEZBLJCM-NSHDSACASA-N 0 0 412.895 3.220 40 0 HGABRN Cc1ccc(OC[C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000225820261 525426641 /nfs/dbraw/zinc/42/66/41/525426641.db2.gz MBPLNAOAVPUCGL-MRXNPFEDSA-N 0 0 424.950 3.161 40 0 HGABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225784991 525515790 /nfs/dbraw/zinc/51/57/90/525515790.db2.gz KMGIXWWXNRBACK-IBGZPJMESA-N 0 0 422.934 3.163 40 0 HGABRN Cc1ccc([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c(C)c1 ZINC000044935081 525713469 /nfs/dbraw/zinc/71/34/69/525713469.db2.gz JRCVXYOWOQXHPI-OXQOHEQNSA-N 0 0 402.516 3.016 40 0 HGABRN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc3c(c1)sc(=O)n3C)CC(C)(C)O2 ZINC000225681823 526194167 /nfs/dbraw/zinc/19/41/67/526194167.db2.gz JREWKMDKSKHNIX-HNNXBMFYSA-N 0 0 418.540 3.489 40 0 HGABRN O=C(NCCCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000044899964 526271892 /nfs/dbraw/zinc/27/18/92/526271892.db2.gz FFGMGVISLMNMSY-UHFFFAOYSA-N 0 0 410.536 3.037 40 0 HGABRN O=C(NCCCc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000044845462 526272636 /nfs/dbraw/zinc/27/26/36/526272636.db2.gz BXFLOYIGBOYQOT-UHFFFAOYSA-N 0 0 418.534 3.117 40 0 HGABRN Cc1nnc(NC(=O)CCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 ZINC000072396274 526362013 /nfs/dbraw/zinc/36/20/13/526362013.db2.gz GKXFNJJIYXTEGT-QGZVFWFLSA-N 0 0 424.530 3.004 40 0 HGABRN O=c1[nH]c(N2CCOCC2)nc2ncn(-c3ccc(Cl)c(Cl)c3)c(=S)c12 ZINC000040385696 526377651 /nfs/dbraw/zinc/37/76/51/526377651.db2.gz DGEGNMLYWZLZSP-UHFFFAOYSA-N 0 0 410.286 3.394 40 0 HGABRN O=C(NCc1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044880930 526768505 /nfs/dbraw/zinc/76/85/05/526768505.db2.gz DJHVYMAKCPEONB-UHFFFAOYSA-N 0 0 401.875 3.466 40 0 HGABRN O=C(NC1CCCCC1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21 ZINC000040399430 527515462 /nfs/dbraw/zinc/51/54/62/527515462.db2.gz NSFDZYRHRNFSEQ-CQSZACIVSA-N 0 0 415.881 3.042 40 0 HGABRN Cc1nn(C)cc1C(=O)N1CCC2(C[C@]3(CO2)Nc2ccccc2-n2cccc23)CC1 ZINC000072327262 527689519 /nfs/dbraw/zinc/68/95/19/527689519.db2.gz DCMMQWURPCTELH-XMMPIXPASA-N 0 0 417.513 3.235 40 0 HGABRN CCCn1c(CN2CCC3(CC2)NC(=O)c2cccnc2N3CC)nc2ccccc21 ZINC000012143619 535589532 /nfs/dbraw/zinc/58/95/32/535589532.db2.gz BXBPXMSOZARQMI-UHFFFAOYSA-N 0 0 418.545 3.403 40 0 HGABRN COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 ZINC000000800512 557084610 /nfs/dbraw/zinc/08/46/10/557084610.db2.gz GVKANVXQMXJIKD-GFCCVEGCSA-N 0 0 420.824 3.023 40 0 HGABRN Cc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000832104 557095537 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0 0 402.394 3.265 40 0 HGABRN COc1cccc(CCc2nnc(NC(=O)c3nc(C)n(-c4ccccc4)n3)s2)c1 ZINC000036752774 558802990 /nfs/dbraw/zinc/80/29/90/558802990.db2.gz JSHCPSGGGGKQLD-UHFFFAOYSA-N 0 0 420.498 3.473 40 0 HGABRN CCOC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2C(Cc2ccc(OC)c(OC)c2)=N1 ZINC000016890216 558808928 /nfs/dbraw/zinc/80/89/28/558808928.db2.gz QUFNPFJDSBKCJN-SFHVURJKSA-N 0 0 413.470 3.241 40 0 HGABRN O=C(CSCc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000017052276 558813244 /nfs/dbraw/zinc/81/32/44/558813244.db2.gz VGWFKZGOQKIPGN-UHFFFAOYSA-N 0 0 424.975 3.106 40 0 HGABRN O=C(NCc1ccccc1-n1ccnc1)c1ccccc1I ZINC000038752101 558813577 /nfs/dbraw/zinc/81/35/77/558813577.db2.gz YDYMCXSWXHHZBJ-UHFFFAOYSA-N 0 0 403.223 3.407 40 0 HGABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000038772320 558815411 /nfs/dbraw/zinc/81/54/11/558815411.db2.gz UUMMZYDNOKVUJJ-GFCCVEGCSA-N 0 0 414.886 3.131 40 0 HGABRN C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1)c1ccccc1 ZINC000038832885 558817057 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COc1ccccc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000017793409 558827961 /nfs/dbraw/zinc/82/79/61/558827961.db2.gz WIQIWEWFZIXPOM-KRWDZBQOSA-N 0 0 416.543 3.282 40 0 HGABRN CC[C@@]1(C)Cc2c(sc3c2[C@H](N)N=C(SCC(=O)N2CCCCC2)N3)CO1 ZINC000017945393 558828784 /nfs/dbraw/zinc/82/87/84/558828784.db2.gz MORBRIGSHHLQON-APWZRJJASA-N 0 0 408.593 3.283 40 0 HGABRN Cc1ccccc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000017963377 558828859 /nfs/dbraw/zinc/82/88/59/558828859.db2.gz SEQYEQFLXUJJAD-MRXNPFEDSA-N 0 0 404.507 3.412 40 0 HGABRN O=C(COc1ccccc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000018108057 558831264 /nfs/dbraw/zinc/83/12/64/558831264.db2.gz QZGOAXCAKHZFNG-UHFFFAOYSA-N 0 0 422.934 3.210 40 0 HGABRN CC(=O)N1CCc2cc(C(=O)CN3CCC[C@@](O)(c4ccc(F)cc4)CC3)ccc21 ZINC000019019168 558837404 /nfs/dbraw/zinc/83/74/04/558837404.db2.gz UHWJZRWCOIZRNI-DEOSSOPVSA-N 0 0 410.489 3.291 40 0 HGABRN C[C@H](C(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)n1ccnc1 ZINC000019080274 558839100 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400.544 3.299 40 0 HGABRN CC(C)C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1cccs1)CC2 ZINC000019085689 558841420 /nfs/dbraw/zinc/84/14/20/558841420.db2.gz PCNPBXOWSQKIKU-MRXNPFEDSA-N 0 0 414.531 3.152 40 0 HGABRN Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)n1 ZINC000019117659 558842450 /nfs/dbraw/zinc/84/24/50/558842450.db2.gz SAHYNVIIEWKDNG-HZPDHXFCSA-N 0 0 419.572 3.044 40 0 HGABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)Cc2ccccn2)on1 ZINC000019121894 558843362 /nfs/dbraw/zinc/84/33/62/558843362.db2.gz ZIKJODRSAONGFR-GOSISDBHSA-N 0 0 406.490 3.197 40 0 HGABRN Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)c3ccncc3)C2)on1 ZINC000019122197 558843566 /nfs/dbraw/zinc/84/35/66/558843566.db2.gz IRZQDPVDLGWNMW-GOSISDBHSA-N 0 0 418.501 3.455 40 0 HGABRN Cc1cc2ccccc2n1CCC(=O)N1CCO[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000019126831 558844758 /nfs/dbraw/zinc/84/47/58/558844758.db2.gz NBZHVVGAVMAQJX-FQEVSTJZSA-N 0 0 417.469 3.385 40 0 HGABRN Cc1ccc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)c(=O)[nH]1 ZINC000019131493 558845536 /nfs/dbraw/zinc/84/55/36/558845536.db2.gz YDMVOUMYRNXJDX-UHFFFAOYSA-N 0 0 417.444 3.178 40 0 HGABRN CCc1nnc(NC(=O)[C@@H](CC)Sc2nnc(-c3cccnc3)n2CC)s1 ZINC000048513934 558845631 /nfs/dbraw/zinc/84/56/31/558845631.db2.gz HXNQPKBZIYZGFY-GFCCVEGCSA-N 0 0 403.537 3.283 40 0 HGABRN Cc1ccc(-n2ncc3c2N(CC(=O)N(C(C)C)C(C)C)C(=O)N2CCCN=C32)cc1 ZINC000019213361 558849096 /nfs/dbraw/zinc/84/90/96/558849096.db2.gz KCDTXPNIOMQLHE-UHFFFAOYSA-N 0 0 422.533 3.218 40 0 HGABRN Cc1csc(NC(=O)[C@@H](C)N2CC3(CCOCC3)Oc3ccc(C)cc3C2=O)n1 ZINC000019218674 558851126 /nfs/dbraw/zinc/85/11/26/558851126.db2.gz GMPFTAVNQLYJBZ-OAHLLOKOSA-N 0 0 415.515 3.171 40 0 HGABRN O=c1/c(=C/c2cccc(O)c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000085984313 558851888 /nfs/dbraw/zinc/85/18/88/558851888.db2.gz ZSFGMKJRLRUHMR-BARSGRSVSA-N 0 0 411.486 3.071 40 0 HGABRN Cc1cccc(C2(CNC(=O)c3cnc(N4CCC(C)CC4)nc3)CCOCC2)c1 ZINC000019234560 558853820 /nfs/dbraw/zinc/85/38/20/558853820.db2.gz GHYMOVZTVWGVKN-UHFFFAOYSA-N 0 0 408.546 3.500 40 0 HGABRN Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cnccn4)C3)c2)c1 ZINC000019235442 558854516 /nfs/dbraw/zinc/85/45/16/558854516.db2.gz OZUKSGIMOPQCTK-RUZDIDTESA-N 0 0 414.509 3.402 40 0 HGABRN Cc1nc(C)n(C[C@H](C)C(=O)N2CCc3onc(Nc4c(C)cccc4C)c3C2)n1 ZINC000019235747 558854864 /nfs/dbraw/zinc/85/48/64/558854864.db2.gz HFAXNVOTWGEZMH-HNNXBMFYSA-N 0 0 408.506 3.464 40 0 HGABRN Cc1cnc(-c2nnc(C3CCN(C(=O)COc4c(C)cccc4C)CC3)o2)cn1 ZINC000019236037 558855101 /nfs/dbraw/zinc/85/51/01/558855101.db2.gz FRFFTAVFKDGTFU-UHFFFAOYSA-N 0 0 407.474 3.237 40 0 HGABRN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(C)n2)CCO1 ZINC000019236295 558855373 /nfs/dbraw/zinc/85/53/73/558855373.db2.gz KSIRDUDIOPPLRW-RUZDIDTESA-N 0 0 416.525 3.012 40 0 HGABRN Cc1ccccc1C1=NO[C@@H](CC2(C(=O)NCCCn3ccnc3)CCOCC2)C1 ZINC000019236963 558856265 /nfs/dbraw/zinc/85/62/65/558856265.db2.gz HATZNPZWPDWHFH-LJQANCHMSA-N 0 0 410.518 3.078 40 0 HGABRN Cc1nn(-c2ccccc2C)c(C)c1CC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000019237568 558856752 /nfs/dbraw/zinc/85/67/52/558856752.db2.gz FLOFVVKZYAKTOS-OAQYLSRUSA-N 0 0 410.562 3.053 40 0 HGABRN Cc1cnc(-c2nnc([C@H]3CCN(C(=O)CCc4cn(C)c5ccccc45)C3)o2)cn1 ZINC000019239154 558857708 /nfs/dbraw/zinc/85/77/08/558857708.db2.gz AIRJGINPRLLGJE-KRWDZBQOSA-N 0 0 416.485 3.275 40 0 HGABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc(N(C)C)n1 ZINC000019240903 558859358 /nfs/dbraw/zinc/85/93/58/558859358.db2.gz JRBKGOUTBVMPRP-HXUWFJFHSA-N 0 0 400.486 3.441 40 0 HGABRN COc1ccccc1CC(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019285305 558859777 /nfs/dbraw/zinc/85/97/77/558859777.db2.gz PUQXBJGIALGBSO-LJQANCHMSA-N 0 0 411.889 3.383 40 0 HGABRN O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019292873 558864722 /nfs/dbraw/zinc/86/47/22/558864722.db2.gz NHJWJHJETXGPMU-MRXNPFEDSA-N 0 0 405.445 3.241 40 0 HGABRN O=C(CCc1nc2cc(Cl)ccc2[nH]1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019293572 558865338 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558981897 /nfs/dbraw/zinc/98/18/97/558981897.db2.gz BLLLMRCXSJAJCF-UHFFFAOYSA-N 0 0 407.470 3.459 40 0 HGABRN CCn1ncc(-c2cc(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)on2)c1C ZINC000019719085 558982995 /nfs/dbraw/zinc/98/29/95/558982995.db2.gz ZCTSWOOYWGINGM-UHFFFAOYSA-N 0 0 401.810 3.103 40 0 HGABRN CC(=O)O[C@@H]1C[C@H]2CCCC[C@]2(C)[C@@H]2C[C@H](OC(C)=O)[C@]3(C)CCC(=O)[C@@]3(O)[C@H]12 ZINC000257349434 559015120 /nfs/dbraw/zinc/01/51/20/559015120.db2.gz OCASYMYIISJFFR-RZLXNCGWSA-N 0 0 406.519 3.186 40 0 HGABRN Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CC(=O)NCCc3cccs3)C2)c1 ZINC000585095995 559023383 /nfs/dbraw/zinc/02/33/83/559023383.db2.gz XPARYGQYKPWRHI-IBGZPJMESA-N 0 0 408.527 3.199 40 0 HGABRN C[C@H]1c2nc(CC(=O)NC3CCCC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 ZINC000585098777 559024408 /nfs/dbraw/zinc/02/44/08/559024408.db2.gz ZZTUCGAEABZLSM-HNNXBMFYSA-N 0 0 405.502 3.183 40 0 HGABRN CC(C)CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)C2 ZINC000585107039 559029371 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/nfs/dbraw/zinc/93/77/59/558937759.db2.gz JGLRQOPQYJDOAJ-LJQANCHMSA-N 0 0 410.518 3.400 40 0 HGABRN CN(Cc1nc(N2CCCC2)ncc1-c1ccncc1)C(=O)c1ccc2c(c1)OCO2 ZINC000019586357 558939496 /nfs/dbraw/zinc/93/94/96/558939496.db2.gz DDEMXFNDMQQAAC-UHFFFAOYSA-N 0 0 417.469 3.140 40 0 HGABRN COc1cccc(-c2noc(CCC(=O)N3CCN(C)C[C@H]3c3ccccc3)n2)c1 ZINC000019589356 558940145 /nfs/dbraw/zinc/94/01/45/558940145.db2.gz GJTXMUUEIDCAMJ-FQEVSTJZSA-N 0 0 406.486 3.193 40 0 HGABRN Cn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)COC[C@H]3CCCCO3)c2)n1 ZINC000072344992 558941431 /nfs/dbraw/zinc/94/14/31/558941431.db2.gz YLCKUCBTUOPATR-OAQYLSRUSA-N 0 0 420.513 3.351 40 0 HGABRN Cc1n[nH]c(C)c1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 ZINC000072344979 558941519 /nfs/dbraw/zinc/94/15/19/558941519.db2.gz IPHUEGCXWATZCS-UHFFFAOYSA-N 0 0 400.486 3.348 40 0 HGABRN O=C(Cn1nc2c3ccccc3nc(C3CC3)n2c1=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000072347201 558943937 /nfs/dbraw/zinc/94/39/37/558943937.db2.gz PKTBIENOZPBPLP-DNVCBOLYSA-N 0 0 405.502 3.103 40 0 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/nfs/dbraw/zinc/95/42/65/558954265.db2.gz GDMMNRZROZLHLL-UHFFFAOYSA-N 0 0 410.499 3.336 40 0 HGABRN CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H](c2ccnc3nccn32)C1)c1ccccc1 ZINC000072360651 558955529 /nfs/dbraw/zinc/95/55/29/558955529.db2.gz GULOGFYHBWXRTA-MJGOQNOKSA-N 0 0 421.501 3.311 40 0 HGABRN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2snnc2C)c1 ZINC000019689459 558959003 /nfs/dbraw/zinc/95/90/03/558959003.db2.gz ROIXGAOITYJOIU-KRWDZBQOSA-N 0 0 424.530 3.355 40 0 HGABRN COC[C@H](C)NC(=O)CN1CCC(c2cc(Cc3ccc(F)cc3)cc(C)n2)CC1 ZINC000019691823 558961154 /nfs/dbraw/zinc/96/11/54/558961154.db2.gz BDGWICNOWLOUBD-SFHVURJKSA-N 0 0 413.537 3.450 40 0 HGABRN CCS(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 ZINC000072373813 558961261 /nfs/dbraw/zinc/96/12/61/558961261.db2.gz ASGJDBFVYHYGTH-IBGZPJMESA-N 0 0 418.538 3.364 40 0 HGABRN Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)n1 ZINC000072374688 558962501 /nfs/dbraw/zinc/96/25/01/558962501.db2.gz AHUXACXIHATBOK-HNNXBMFYSA-N 0 0 412.440 3.464 40 0 HGABRN CCS(=O)(=O)[C@@](Cl)(I)[C@H](O)c1cccc(Cl)c1 ZINC000096520081 558963859 /nfs/dbraw/zinc/96/38/59/558963859.db2.gz BGNQGIPTHGWQLU-ZJUUUORDSA-N 0 0 409.072 3.136 40 0 HGABRN Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)Cn3c(C)cc(C)nc3=O)n2)n1 ZINC000072375463 558963965 /nfs/dbraw/zinc/96/39/65/558963965.db2.gz DHDWDRABPCHSGI-QGZVFWFLSA-N 0 0 424.530 3.127 40 0 HGABRN Cc1noc(C)c1CC(=O)N1CCC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072378072 558967362 /nfs/dbraw/zinc/96/73/62/558967362.db2.gz VIBNMZHQJANMMR-KRWDZBQOSA-N 0 0 406.490 3.477 40 0 HGABRN O=C(NCC1CC1)c1ccc([C@H]2CCCN(C(=O)c3ccc4nsnc4c3)C2)nc1 ZINC000019705626 558967948 /nfs/dbraw/zinc/96/79/48/558967948.db2.gz UGCCAQLXEPRZAP-KRWDZBQOSA-N 0 0 421.526 3.246 40 0 HGABRN Cc1nc([C@H]2CCCCN2C(=O)c2cc[nH]n2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000072380217 558968330 /nfs/dbraw/zinc/96/83/30/558968330.db2.gz PCLICHXJMMPQGN-LJQANCHMSA-N 0 0 422.533 3.345 40 0 HGABRN O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380708 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ZINC000019743536 558264241 /nfs/dbraw/zinc/26/42/41/558264241.db2.gz GSONCIAWGCBJRV-HXUWFJFHSA-N 0 0 407.518 3.014 40 0 HGABRN CCC(=O)N1CCC[C@H](c2nc3c(c(C)n2)CC(=O)N3CCc2ccccc2F)C1 ZINC000019744477 558264931 /nfs/dbraw/zinc/26/49/31/558264931.db2.gz VIPHJRMLDZINPH-KRWDZBQOSA-N 0 0 410.493 3.172 40 0 HGABRN O=C(CC1CCN(C(=O)CC2CCCCC2)CC1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000019748604 558267984 /nfs/dbraw/zinc/26/79/84/558267984.db2.gz RVFUUSWGXRWYEF-UHFFFAOYSA-N 0 0 412.534 3.072 40 0 HGABRN Cc1nc(C)c(C(=O)N[C@@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)s1 ZINC000019749618 558269197 /nfs/dbraw/zinc/26/91/97/558269197.db2.gz NBMFOFHLWPQDEC-GOSISDBHSA-N 0 0 419.572 3.398 40 0 HGABRN Cc1nc([C@@H]2CCN(C(=O)c3cc[nH]n3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019754106 558273580 /nfs/dbraw/zinc/27/35/80/558273580.db2.gz DQUCRIXPRJJAHU-CYBMUJFWSA-N 0 0 410.865 3.044 40 0 HGABRN COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)CC(C)C)C3)nc2C)c1 ZINC000019757878 558274955 /nfs/dbraw/zinc/27/49/55/558274955.db2.gz KJLKDNMBIHSUJM-GOSISDBHSA-N 0 0 410.518 3.086 40 0 HGABRN Cc1nc(CC2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)cc(N2CCCC2)n1 ZINC000019758883 558275387 /nfs/dbraw/zinc/27/53/87/558275387.db2.gz NBJBKFNFXOKOCF-UHFFFAOYSA-N 0 0 422.455 3.222 40 0 HGABRN COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)CC(C)C)cc1 ZINC000019767279 558278966 /nfs/dbraw/zinc/27/89/66/558278966.db2.gz KBIUDYAUPRLLFM-HXUWFJFHSA-N 0 0 410.518 3.433 40 0 HGABRN COc1cccc(NC(=O)CSc2nnc(COc3ccccc3OC)o2)c1 ZINC000019928394 558308796 /nfs/dbraw/zinc/30/87/96/558308796.db2.gz QGYGGWGZGIVERX-UHFFFAOYSA-N 0 0 401.444 3.397 40 0 HGABRN Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 ZINC000019974112 558317374 /nfs/dbraw/zinc/31/73/74/558317374.db2.gz WNHNUTVWJFRYCT-LBPRGKRZSA-N 0 0 421.288 3.030 40 0 HGABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000020009342 558319011 /nfs/dbraw/zinc/31/90/11/558319011.db2.gz OSFPZXMEGGYZTQ-INIZCTEOSA-N 0 0 424.950 3.153 40 0 HGABRN 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/nfs/dbraw/zinc/32/18/49/558321849.db2.gz SJGLLRQLKWEVNC-KRWDZBQOSA-N 0 0 418.559 3.440 40 0 HGABRN CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)[C@@H]2CCCO2)n1 ZINC000012089211 558323522 /nfs/dbraw/zinc/32/35/22/558323522.db2.gz RYQCUTGJUCIQPH-QFIPXVFZSA-N 0 0 417.513 3.312 40 0 HGABRN CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020039007 558325389 /nfs/dbraw/zinc/32/53/89/558325389.db2.gz AXOKEOMFYFXBPL-SFHVURJKSA-N 0 0 416.543 3.110 40 0 HGABRN O=C(CN1CCC[C@@H](c2ncncc2-c2ccncc2)C1)Nc1ccc2c(c1)OCO2 ZINC000012117164 558328741 /nfs/dbraw/zinc/32/87/41/558328741.db2.gz LLFGEXBBKUIBIZ-QGZVFWFLSA-N 0 0 417.469 3.085 40 0 HGABRN O=C(Cn1c2cccnc2n(Cc2cccs2)c1=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000012117479 558329140 /nfs/dbraw/zinc/32/91/40/558329140.db2.gz FITIENUUXLKEAT-SJLPKXTDSA-N 0 0 410.543 3.489 40 0 HGABRN O=C(Cc1ccc2c(c1)OCO2)N1CCC(c2ncncc2-c2ccncc2)CC1 ZINC000012118673 558329834 /nfs/dbraw/zinc/32/98/34/558329834.db2.gz NVVKOCMCPJXCTA-UHFFFAOYSA-N 0 0 402.454 3.216 40 0 HGABRN Cc1cc(-c2cncnc2[C@H]2CCCN(CC(=O)N3CCc4ccccc43)C2)on1 ZINC000012118406 558329867 /nfs/dbraw/zinc/32/98/67/558329867.db2.gz QGMXLQYYPBFHGG-SFHVURJKSA-N 0 0 403.486 3.209 40 0 HGABRN CCc1ccccc1NC(=O)C1=C(C)c2cc(OC)c(OC)cc2N(C)S1(=O)=O ZINC000020063938 558330156 /nfs/dbraw/zinc/33/01/56/558330156.db2.gz MLTICMZLWLXBNW-UHFFFAOYSA-N 0 0 416.499 3.416 40 0 HGABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2cccc(Cl)c2)Oc2ccc(Cl)cc21 ZINC000020106337 558333402 /nfs/dbraw/zinc/33/34/02/558333402.db2.gz HDYGUMQJUVNVCV-OAHLLOKOSA-N 0 0 401.271 3.159 40 0 HGABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000020107687 558334178 /nfs/dbraw/zinc/33/41/78/558334178.db2.gz KMNRGKJQJGTSBU-KBPBESRZSA-N 0 0 410.923 3.381 40 0 HGABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 ZINC000020108433 558334315 /nfs/dbraw/zinc/33/43/15/558334315.db2.gz GSMOSNVOLAQAGZ-UHFFFAOYSA-N 0 0 407.879 3.091 40 0 HGABRN COc1ccccc1C1(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CCCC1 ZINC000012143081 558335147 /nfs/dbraw/zinc/33/51/47/558335147.db2.gz OTYKRYJOZBDEJQ-UHFFFAOYSA-N 0 0 414.527 3.217 40 0 HGABRN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000012143863 558335717 /nfs/dbraw/zinc/33/57/17/558335717.db2.gz BZLGTGXVLSGESJ-LJQANCHMSA-N 0 0 416.499 3.172 40 0 HGABRN CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(C)cc1 ZINC000020112592 558336315 /nfs/dbraw/zinc/33/63/15/558336315.db2.gz PUCAHBHWBHDARC-OAQYLSRUSA-N 0 0 416.543 3.038 40 0 HGABRN Cc1cccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000020112637 558336540 /nfs/dbraw/zinc/33/65/40/558336540.db2.gz ABIWOUCNBGOJOY-GOSISDBHSA-N 0 0 406.573 3.206 40 0 HGABRN O=C(C1CCCCC1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000020121423 558336940 /nfs/dbraw/zinc/33/69/40/558336940.db2.gz QNMIQHFTOFELCP-UHFFFAOYSA-N 0 0 414.575 3.088 40 0 HGABRN Cc1ncccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(s1)CCc1c-2cnn1C ZINC000012146115 558337485 /nfs/dbraw/zinc/33/74/85/558337485.db2.gz ULRFBSXGGGDMQU-CQSZACIVSA-N 0 0 409.515 3.171 40 0 HGABRN COc1cccc([C@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2c2csnn2)c1 ZINC000012163052 558341942 /nfs/dbraw/zinc/34/19/42/558341942.db2.gz GXPXATJDFGYAKP-MOPGFXCFSA-N 0 0 415.540 3.427 40 0 HGABRN COc1ccc(CC(=O)N[C@H](Cn2nc(-c3cccs3)ccc2=O)C(C)C)cc1 ZINC000012220313 558355187 /nfs/dbraw/zinc/35/51/87/558355187.db2.gz DDFOOHNPPBXUAH-LJQANCHMSA-N 0 0 411.527 3.364 40 0 HGABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C[C@H](C)n4ccnc4)C3)cc2n1 ZINC000012221287 558355929 /nfs/dbraw/zinc/35/59/29/558355929.db2.gz PQPLOBCSEIXAMN-UONOGXRCSA-N 0 0 420.439 3.474 40 0 HGABRN CCc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000020455229 558368866 /nfs/dbraw/zinc/36/88/66/558368866.db2.gz DEWPVWOSEYGUEQ-FQEVSTJZSA-N 0 0 404.532 3.291 40 0 HGABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000020457131 558370462 /nfs/dbraw/zinc/37/04/62/558370462.db2.gz XVIQOUBJSZXBAO-GFCCVEGCSA-N 0 0 423.922 3.492 40 0 HGABRN CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000020458037 558370983 /nfs/dbraw/zinc/37/09/83/558370983.db2.gz APLXCCOZWCLYFJ-KRWDZBQOSA-N 0 0 404.532 3.173 40 0 HGABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000020457950 558371053 /nfs/dbraw/zinc/37/10/53/558371053.db2.gz MCXDHTOIROCRDI-FOIQADDNSA-N 0 0 420.531 3.126 40 0 HGABRN CC(C)C(NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)C(C)C ZINC000020494892 558379913 /nfs/dbraw/zinc/37/99/13/558379913.db2.gz JENIQZGGLZPNGV-FQEVSTJZSA-N 0 0 408.608 3.458 40 0 HGABRN Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020495445 558380324 /nfs/dbraw/zinc/38/03/24/558380324.db2.gz BCVWPILVNYMRHU-UHFFFAOYSA-N 0 0 412.334 3.483 40 0 HGABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)nc(N)c21 ZINC000020635692 558395580 /nfs/dbraw/zinc/39/55/80/558395580.db2.gz AYJSEEPUXCGEBR-GFCCVEGCSA-N 0 0 414.897 3.075 40 0 HGABRN COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 ZINC000020671742 558398413 /nfs/dbraw/zinc/39/84/13/558398413.db2.gz SSENZEKGQZZVMY-HNNXBMFYSA-N 0 0 410.499 3.426 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000021821704 558451176 /nfs/dbraw/zinc/45/11/76/558451176.db2.gz YGPMPXZUXUMJPD-UHFFFAOYSA-N 0 0 410.923 3.066 40 0 HGABRN CC(C)(C)OC(=O)NC(=O)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000022052486 558459928 /nfs/dbraw/zinc/45/99/28/558459928.db2.gz KOLDSECLRRRIFP-ZDUSSCGKSA-N 0 0 416.515 3.443 40 0 in-vitro HGABRN COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022227083 558467160 /nfs/dbraw/zinc/46/71/60/558467160.db2.gz RCNOKJDVQNKIHJ-UHFFFAOYSA-N 0 0 422.934 3.106 40 0 HGABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000022227377 558467357 /nfs/dbraw/zinc/46/73/57/558467357.db2.gz FCOJJPKBKRTVIF-UHFFFAOYSA-N 0 0 414.449 3.365 40 0 HGABRN CCOc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)cc1 ZINC000022229915 558468862 /nfs/dbraw/zinc/46/88/62/558468862.db2.gz AUHYGWYIAHOCGH-IBGZPJMESA-N 0 0 418.515 3.194 40 0 HGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(F)cccc2F)c1 ZINC000022229867 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/nfs/dbraw/zinc/76/62/00/557766200.db2.gz YHRCRLFQBAJYFF-UHFFFAOYSA-N 0 0 416.499 3.127 40 0 HGABRN CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000008169474 557774529 /nfs/dbraw/zinc/77/45/29/557774529.db2.gz OKGBSBFXGQYGED-UHFFFAOYSA-N 0 0 401.315 3.436 40 0 HGABRN C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000008303266 557780628 /nfs/dbraw/zinc/78/06/28/557780628.db2.gz MZTMSWOFHKNOKR-ZBFHGGJFSA-N 0 0 408.470 3.243 40 0 HGABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000035604292 557782303 /nfs/dbraw/zinc/78/23/03/557782303.db2.gz UIHDONGTLCXXPQ-UHFFFAOYSA-N 0 0 419.522 3.441 40 0 HGABRN Cc1cc(C)c([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(C)c1 ZINC000408733228 557797317 /nfs/dbraw/zinc/79/73/17/557797317.db2.gz GQPIAHAIPXAFMM-OALUTQOASA-N 0 0 413.477 3.088 40 0 HGABRN COc1ccc(CNC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000008640592 557798232 /nfs/dbraw/zinc/79/82/32/557798232.db2.gz GFFLTNQJZJNVFU-UHFFFAOYSA-N 0 0 415.540 3.281 40 0 HGABRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C[C@H](C)CC2 ZINC000036329920 557847275 /nfs/dbraw/zinc/84/72/75/557847275.db2.gz CJWNNNIRFKIZOX-APIJFGDWSA-N 0 0 408.564 3.486 40 0 HGABRN COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(=O)NC(C)C ZINC000010009047 557853610 /nfs/dbraw/zinc/85/36/10/557853610.db2.gz QVHSDPOJOSRTKM-UHFFFAOYSA-N 0 0 406.504 3.421 40 0 HGABRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC(c1ccccc1)c1ccccc1 ZINC000010046053 557854594 /nfs/dbraw/zinc/85/45/94/557854594.db2.gz XVXAHDWXOLDLQG-UHFFFAOYSA-N 0 0 420.490 3.127 40 0 HGABRN Cc1c(Cl)cccc1-n1c(-c2ccc(F)cc2)cn2c1nc1c2c(=O)[nH]c(=O)n1C ZINC000010104502 557855014 /nfs/dbraw/zinc/85/50/14/557855014.db2.gz TVIJWNZQDKTPBJ-UHFFFAOYSA-N 0 0 423.835 3.433 40 0 HGABRN CCOCCCNC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010325014 557859978 /nfs/dbraw/zinc/85/99/78/557859978.db2.gz ZQXBZTYMHHLPAO-UHFFFAOYSA-N 0 0 404.532 3.118 40 0 HGABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000010441528 557862282 /nfs/dbraw/zinc/86/22/82/557862282.db2.gz CLRYDGOWLIWHLJ-CYBMUJFWSA-N 0 0 424.906 3.310 40 0 HGABRN CCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1OC)C(=O)CC2 ZINC000019740562 558261297 /nfs/dbraw/zinc/26/12/97/558261297.db2.gz WRRGKEPMDUXLJI-SFHVURJKSA-N 0 0 408.502 3.347 40 0 HGABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000010860421 558261420 /nfs/dbraw/zinc/26/14/20/558261420.db2.gz QPZQFIKZBROQJD-UHFFFAOYSA-N 0 0 411.332 3.296 40 0 HGABRN CCCn1ncc2ccc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc21 ZINC000019742492 558262701 /nfs/dbraw/zinc/26/27/01/558262701.db2.gz IUBYPCLHZGKXAP-MRXNPFEDSA-N 0 0 403.508 3.014 40 0 HGABRN COc1ccc(CCCC(=O)N2CCC[C@@H]2c2nc3c(c(C)n2)CC(=O)N3C)c(C)c1 ZINC000019744312 558264737 /nfs/dbraw/zinc/26/47/37/558264737.db2.gz IZFHCTOGDVWDIZ-HXUWFJFHSA-N 0 0 422.529 3.307 40 0 HGABRN COCCC(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1 ZINC000019745141 558265759 /nfs/dbraw/zinc/26/57/59/558265759.db2.gz FFFNANQLSMWSNI-UHFFFAOYSA-N 0 0 411.481 3.452 40 0 HGABRN Cc1nc(CC(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)cs1 ZINC000019746188 558266276 /nfs/dbraw/zinc/26/62/76/558266276.db2.gz JBHVJJGHZIEBBJ-UHFFFAOYSA-N 0 0 423.420 3.487 40 0 HGABRN CCn1ccc(C(=O)Nc2cnn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 ZINC000019746192 558266279 /nfs/dbraw/zinc/26/62/79/558266279.db2.gz UQBRZSYKROQBMN-UHFFFAOYSA-N 0 0 406.368 3.009 40 0 HGABRN CCn1cncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(OC)c2)CC1 ZINC000019747049 558266951 /nfs/dbraw/zinc/26/69/51/558266951.db2.gz UOOJYXCIWUCOBM-OAQYLSRUSA-N 0 0 424.545 3.459 40 0 HGABRN Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000019748555 558267908 /nfs/dbraw/zinc/26/79/08/558267908.db2.gz VHVZMWCAYOGAQX-SFHVURJKSA-N 0 0 409.530 3.122 40 0 HGABRN Cc1nc(C)c(C(=O)N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)o1 ZINC000019749110 558268337 /nfs/dbraw/zinc/26/83/37/558268337.db2.gz LLGFKNRABUMKCZ-CQSZACIVSA-N 0 0 424.423 3.438 40 0 HGABRN Cc1cccnc1CNS(=O)(=O)c1ccc2c(c1)[C@@H](NC(=O)C1CCCC1)CC2 ZINC000019749549 558269096 /nfs/dbraw/zinc/26/90/96/558269096.db2.gz KLWCJRSAVVAYNC-FQEVSTJZSA-N 0 0 413.543 3.162 40 0 HGABRN COc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)c3nccc4ccccc43)CC2)cn1 ZINC000019749900 558269913 /nfs/dbraw/zinc/26/99/13/558269913.db2.gz YUEVGSYGPUXMAG-IBGZPJMESA-N 0 0 418.497 3.405 40 0 HGABRN COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2cc[nH]n2)nc1C ZINC000019753478 558272859 /nfs/dbraw/zinc/27/28/59/558272859.db2.gz UUHLVCFIGFPUSA-GOSISDBHSA-N 0 0 420.473 3.136 40 0 HGABRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@@H]1C(=O)Nc1cccc(OC)c1 ZINC000019819146 558289321 /nfs/dbraw/zinc/28/93/21/558289321.db2.gz SIEWFURZEXCNBN-SFHVURJKSA-N 0 0 412.417 3.273 40 0 HGABRN CCN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929725 558309566 /nfs/dbraw/zinc/30/95/66/558309566.db2.gz CYXSRHDQSMFSHA-UHFFFAOYSA-N 0 0 414.886 3.445 40 0 HGABRN CCN(CC(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930076 558309689 /nfs/dbraw/zinc/30/96/89/558309689.db2.gz PRXOFPPFGKBEQQ-CQSZACIVSA-N 0 0 410.923 3.237 40 0 HGABRN O=C(Nc1ccc(I)cc1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000019937226 558312266 /nfs/dbraw/zinc/31/22/66/558312266.db2.gz ONJRPZVKMJRUGB-UHFFFAOYSA-N 0 0 417.206 3.294 40 0 HGABRN CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000020007287 558318292 /nfs/dbraw/zinc/31/82/92/558318292.db2.gz ALLBFSFBJOSTQG-IEBWSBKVSA-N 0 0 418.559 3.198 40 0 HGABRN O=C(Nc1cccc(F)c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000020007803 558318505 /nfs/dbraw/zinc/31/85/05/558318505.db2.gz VXEZTQSIPRGYMW-HXUWFJFHSA-N 0 0 416.449 3.493 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCc3ccccc32)cc1Cl ZINC000020013960 558319366 /nfs/dbraw/zinc/31/93/66/558319366.db2.gz NRLGTTYSMQQATI-GOSISDBHSA-N 0 0 422.934 3.163 40 0 HGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl ZINC000020016268 558320164 /nfs/dbraw/zinc/32/01/64/558320164.db2.gz RVBNWZLUHJHIKH-SNVBAGLBSA-N 0 0 418.849 3.322 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(F)ccc3F)C2)cc1C ZINC000020016803 558320362 /nfs/dbraw/zinc/32/03/62/558320362.db2.gz PKBLVSLYUIDGPM-CQSZACIVSA-N 0 0 424.469 3.321 40 0 HGABRN CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000020019579 558320960 /nfs/dbraw/zinc/32/09/60/558320960.db2.gz FEINUSWPGXRSNP-HRAATJIYSA-N 0 0 416.543 3.336 40 0 HGABRN COc1ccccc1CC(=O)N[C@@H](C)c1nc2cc(-c3ccccc3F)ncn2n1 ZINC000012085138 558320957 /nfs/dbraw/zinc/32/09/57/558320957.db2.gz PVURXBYFAFTAPX-AWEZNQCLSA-N 0 0 405.433 3.359 40 0 HGABRN Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCc1ccc(F)cc1 ZINC000020022071 558321420 /nfs/dbraw/zinc/32/14/20/558321420.db2.gz QIQJYTHAGVZBGX-UHFFFAOYSA-N 0 0 420.506 3.004 40 0 HGABRN COc1ccc([C@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 ZINC000020023601 558321823 /nfs/dbraw/zinc/32/18/23/558321823.db2.gz WHZTVNFRHMWIMB-INIZCTEOSA-N 0 0 404.532 3.192 40 0 HGABRN Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1=O ZINC000012088157 558322852 /nfs/dbraw/zinc/32/28/52/558322852.db2.gz VVFWMYNLPDFBKF-KRWDZBQOSA-N 0 0 407.518 3.263 40 0 HGABRN Cc1ccc(C2=NO[C@H](CC3(C(=O)NCCc4ccncc4)CCOCC3)C2)cc1 ZINC000012088832 558323337 /nfs/dbraw/zinc/32/33/37/558323337.db2.gz WXWYGXCXYMULOB-NRFANRHFSA-N 0 0 407.514 3.429 40 0 HGABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000020042494 558326341 /nfs/dbraw/zinc/32/63/41/558326341.db2.gz LAZAHGFYDADWHP-KRWDZBQOSA-N 0 0 403.431 3.295 40 0 HGABRN Cc1nn(CC(=O)Nc2ccccc2Br)c(=O)c2cc3sccc3n21 ZINC000012115219 558327516 /nfs/dbraw/zinc/32/75/16/558327516.db2.gz XNJIOEXXAMPYGS-UHFFFAOYSA-N 0 0 417.288 3.420 40 0 HGABRN CCN1C(=O)[C@@H](c2ccc(F)cc2)C2(CCN(C(=O)Cc3cccs3)CC2)C1=O ZINC000012115853 558328149 /nfs/dbraw/zinc/32/81/49/558328149.db2.gz NYTOVEFKNVGMSD-LJQANCHMSA-N 0 0 414.502 3.211 40 0 HGABRN Cc1nnnn1-c1ccc(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000012116151 558328318 /nfs/dbraw/zinc/32/83/18/558328318.db2.gz IGCXJFBVPAQUMH-HXUWFJFHSA-N 0 0 401.474 3.143 40 0 HGABRN O=C(c1ncoc1-c1ccc(F)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000012117888 558329452 /nfs/dbraw/zinc/32/94/52/558329452.db2.gz LBKPQQIXZWBQHH-UHFFFAOYSA-N 0 0 420.444 3.049 40 0 HGABRN COc1cccc(-c2cc(C(=O)N3CCC4(CC3)Nc3ccccc3C(=O)N4)no2)c1 ZINC000012117927 558329458 /nfs/dbraw/zinc/32/94/58/558329458.db2.gz WYNLFZZYZOSRIX-UHFFFAOYSA-N 0 0 418.453 3.138 40 0 HGABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(CC(=O)N3CCc4ccccc43)C2)on1 ZINC000012118405 558329844 /nfs/dbraw/zinc/32/98/44/558329844.db2.gz QGMXLQYYPBFHGG-GOSISDBHSA-N 0 0 403.486 3.209 40 0 HGABRN COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N[C@H](C)c1ccccc1)=C2C ZINC000020063924 558330159 /nfs/dbraw/zinc/33/01/59/558330159.db2.gz VUDGNDHCAIXFLL-CQSZACIVSA-N 0 0 416.499 3.092 40 0 HGABRN COc1ccccc1CN(C)C(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000020105124 558332985 /nfs/dbraw/zinc/33/29/85/558332985.db2.gz KSXFHKMFZRHREZ-KRWDZBQOSA-N 0 0 404.532 3.125 40 0 HGABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc(Cl)c2)Oc2ccc(Cl)cc21 ZINC000020106335 558333428 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CC(=O)N1CCc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc21 ZINC000015362130 558736088 /nfs/dbraw/zinc/73/60/88/558736088.db2.gz KEXGFBHGYMXKBM-UHFFFAOYSA-N 0 0 410.495 3.106 40 0 HGABRN CCSc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000030755395 558736887 /nfs/dbraw/zinc/73/68/87/558736887.db2.gz IPUFYHUKZGIECR-UHFFFAOYSA-N 0 0 411.524 3.189 40 0 HGABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 ZINC000030756038 558737201 /nfs/dbraw/zinc/73/72/01/558737201.db2.gz UQXLNOQMPLTUFI-KUHUBIRLSA-N 0 0 422.934 3.361 40 0 HGABRN COc1ccc(S[C@H](C)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1 ZINC000030851875 558740159 /nfs/dbraw/zinc/74/01/59/558740159.db2.gz HYFJRMUVHIURIV-CQSZACIVSA-N 0 0 420.556 3.015 40 0 HGABRN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000030853437 558740457 /nfs/dbraw/zinc/74/04/57/558740457.db2.gz QFSJUIJWLDKABP-UHFFFAOYSA-N 0 0 409.895 3.102 40 0 HGABRN COc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015471882 558740835 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PPDLPNUFQCOWTK-UHFFFAOYSA-N 0 0 400.859 3.137 40 0 HGABRN COc1ccccc1Cc1nnc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)s1 ZINC000036752277 558802711 /nfs/dbraw/zinc/80/27/11/558802711.db2.gz RLQKDPJEAOQCNH-HXUWFJFHSA-N 0 0 424.526 3.150 40 0 HGABRN CCOc1ccn(CC(=O)/N=c2/cc(-c3ccc(Cl)cc3)ss2)c(=O)n1 ZINC000017025147 558812085 /nfs/dbraw/zinc/81/20/85/558812085.db2.gz PBFUHCLGAGJFQQ-MNDPQUGUSA-N 0 0 407.904 3.213 40 0 HGABRN C[C@H](Oc1ccc(S(=O)(=O)NCc2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000038556532 558813213 /nfs/dbraw/zinc/81/32/13/558813213.db2.gz LYBPPPAGGGDHKW-KRWDZBQOSA-N 0 0 416.543 3.381 40 0 HGABRN CCOc1ccccc1CNC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038753938 558814204 /nfs/dbraw/zinc/81/42/04/558814204.db2.gz WJWOHXRGUZTBPQ-AWEZNQCLSA-N 0 0 410.923 3.210 40 0 HGABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1OC ZINC000038755022 558814287 /nfs/dbraw/zinc/81/42/87/558814287.db2.gz APYBQQQQWRAADL-LBPRGKRZSA-N 0 0 401.488 3.014 40 0 HGABRN 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3.043 40 0 HGABRN CC(C)(C)c1cc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)nc2ncnn21 ZINC000019083864 558840573 /nfs/dbraw/zinc/84/05/73/558840573.db2.gz JPMGMJOGCLVWTN-OAHLLOKOSA-N 0 0 411.481 3.492 40 0 HGABRN CC(=O)N1CC[C@@H](c2nc(C)cc(NCC3(c4cccc(F)c4)CCOCC3)n2)C1 ZINC000019118244 558842448 /nfs/dbraw/zinc/84/24/48/558842448.db2.gz YHVHWCRUCROWBH-GOSISDBHSA-N 0 0 412.509 3.420 40 0 HGABRN Cc1c(-c2cc(C(=O)N3CCN(c4cc(C)c5ccccc5n4)CC3)on2)cnn1C ZINC000019118971 558842556 /nfs/dbraw/zinc/84/25/56/558842556.db2.gz LQYIGSIKQJTSHW-UHFFFAOYSA-N 0 0 416.485 3.203 40 0 HGABRN Cc1cc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)nc2ccccc12 ZINC000019118979 558842627 /nfs/dbraw/zinc/84/26/27/558842627.db2.gz MHFCQVOXYGHHCY-UHFFFAOYSA-N 0 0 412.497 3.145 40 0 HGABRN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3ccn(C)n3)CC2)on1 ZINC000019123106 558844052 /nfs/dbraw/zinc/84/40/52/558844052.db2.gz BYYAYRVRRVCMBI-UHFFFAOYSA-N 0 0 409.494 3.014 40 0 HGABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCc3ccno3)C1)N2 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420.469 3.270 40 0 HGABRN CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)CCc1c(C)noc1C ZINC000012276253 558364236 /nfs/dbraw/zinc/36/42/36/558364236.db2.gz OUVUSYHOOUJSHQ-OAHLLOKOSA-N 0 0 400.504 3.104 40 0 HGABRN COc1cc(C(=O)N2CCC[C@@H](c3noc(-c4ccccn4)n3)C2)cc(OC)c1OC ZINC000012291934 558365703 /nfs/dbraw/zinc/36/57/03/558365703.db2.gz ZSSWGQNXXDXJCQ-CQSZACIVSA-N 0 0 424.457 3.177 40 0 HGABRN Cc1ccc(CN(C)C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000020453191 558367533 /nfs/dbraw/zinc/36/75/33/558367533.db2.gz YVOYPWBWHCMZEX-UHFFFAOYSA-N 0 0 414.449 3.438 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000020456891 558370234 /nfs/dbraw/zinc/37/02/34/558370234.db2.gz KQQVOJBQXRAEQP-UHFFFAOYSA-N 0 0 408.907 3.314 40 0 HGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000020457513 558370656 /nfs/dbraw/zinc/37/06/56/558370656.db2.gz ZMKXPODANKFXJQ-OAHLLOKOSA-N 0 0 406.504 3.096 40 0 HGABRN COc1ccccc1CN(C)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000020459835 558372164 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CCn1cc(S(=O)(=O)NCC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cn1 ZINC000012362159 558387025 /nfs/dbraw/zinc/38/70/25/558387025.db2.gz IHXANOPLWPUCPR-IBGZPJMESA-N 0 0 413.499 3.132 40 0 HGABRN COc1cccc2[nH]c(C(=O)N3CCC([C@H](NC(C)=O)c4nccs4)CC3)cc21 ZINC000012365769 558387890 /nfs/dbraw/zinc/38/78/90/558387890.db2.gz GNNLGDSHDBGEGY-IBGZPJMESA-N 0 0 412.515 3.363 40 0 HGABRN COc1ccc(CCN2CN=C(Nc3nc(C)c4ccc(C)cc4n3)NC2)cc1OC ZINC000020634322 558395512 /nfs/dbraw/zinc/39/55/12/558395512.db2.gz XVOGWPQYUQKEFL-UHFFFAOYSA-N 0 0 420.517 3.095 40 0 HGABRN O=C(NCCC[NH+]1CCCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000037020512 558442959 /nfs/dbraw/zinc/44/29/59/558442959.db2.gz HJQXRIXLPDRWAI-UHFFFAOYSA-N 0 0 415.559 3.483 40 0 HGABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(F)cc2F)c1 ZINC000022229862 558468585 /nfs/dbraw/zinc/46/85/85/558468585.db2.gz WMTHZCAJZWLAOE-QGZVFWFLSA-N 0 0 410.442 3.074 40 0 HGABRN CSc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000022230885 558469301 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CCc1ccccc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000022329779 558479453 /nfs/dbraw/zinc/47/94/53/558479453.db2.gz FQFHPZZNFUNKCV-UHFFFAOYSA-N 0 0 404.532 3.119 40 0 HGABRN COc1ccc(CCCNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022330153 558479751 /nfs/dbraw/zinc/47/97/51/558479751.db2.gz OFZRHYHYJHKLOQ-UHFFFAOYSA-N 0 0 418.559 3.334 40 0 HGABRN CC(C)Oc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000022335530 558481110 /nfs/dbraw/zinc/48/11/10/558481110.db2.gz XTECJBXGAGPXPH-UHFFFAOYSA-N 0 0 422.522 3.128 40 0 HGABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O ZINC000022336194 558481372 /nfs/dbraw/zinc/48/13/72/558481372.db2.gz IGWMHQOAHPGANK-QGZVFWFLSA-N 0 0 404.532 3.264 40 0 HGABRN Cc1ccc(Cl)cc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O ZINC000022336875 558481483 /nfs/dbraw/zinc/48/14/83/558481483.db2.gz DWPGEVDWAKWPFR-UHFFFAOYSA-N 0 0 412.914 3.303 40 0 HGABRN Cc1cccc(C)c1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000022338521 558481934 /nfs/dbraw/zinc/48/19/34/558481934.db2.gz HSAMRQNOWUVJSS-UHFFFAOYSA-N 0 0 408.951 3.472 40 0 HGABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCc1ccccc1 ZINC000022378118 558484551 /nfs/dbraw/zinc/48/45/51/558484551.db2.gz UBXXHVWCLKLMNU-UHFFFAOYSA-N 0 0 418.515 3.441 40 0 HGABRN COc1ccc(OC)c(NC(=O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000022382350 558484880 /nfs/dbraw/zinc/48/48/80/558484880.db2.gz FWEPALDWBUOXPS-UHFFFAOYSA-N 0 0 406.504 3.034 40 0 HGABRN CCOc1cccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000022387906 558485813 /nfs/dbraw/zinc/48/58/13/558485813.db2.gz GNSZCYBLXHBYDC-UHFFFAOYSA-N 0 0 412.895 3.152 40 0 HGABRN CCCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022397546 558486773 /nfs/dbraw/zinc/48/67/73/558486773.db2.gz BNHDUBMHAXBIKE-QGZVFWFLSA-N 0 0 404.532 3.427 40 0 HGABRN CCCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000022397543 558486776 /nfs/dbraw/zinc/48/67/76/558486776.db2.gz BNHDUBMHAXBIKE-KRWDZBQOSA-N 0 0 404.532 3.427 40 0 HGABRN CCOc1cccc(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000022399158 558487136 /nfs/dbraw/zinc/48/71/36/558487136.db2.gz ZNQYAMYYKVCUPA-UHFFFAOYSA-N 0 0 406.504 3.277 40 0 HGABRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022425701 558488801 /nfs/dbraw/zinc/48/88/01/558488801.db2.gz KKCRHOLJFOSYES-SFHVURJKSA-N 0 0 418.559 3.468 40 0 HGABRN COc1ccc(C(C)=O)cc1CN1CCN(Cc2cc(C(C)=O)ccc2OC)CC1 ZINC000022467849 558491123 /nfs/dbraw/zinc/49/11/23/558491123.db2.gz XMEVMSRXOCFXLV-UHFFFAOYSA-N 0 0 410.514 3.427 40 0 HGABRN CC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccccc1 ZINC000022515037 558493734 /nfs/dbraw/zinc/49/37/34/558493734.db2.gz QXNRDVJFUSBDIC-NQIIRXRSSA-N 0 0 416.543 3.363 40 0 HGABRN CC[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccccc1 ZINC000022515046 558493737 /nfs/dbraw/zinc/49/37/37/558493737.db2.gz QXNRDVJFUSBDIC-RXVVDRJESA-N 0 0 416.543 3.363 40 0 HGABRN CC(C)C[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccccc1 ZINC000022527865 558496322 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413.568 3.233 40 0 HGABRN CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581172 558544597 /nfs/dbraw/zinc/54/45/97/558544597.db2.gz PVLWPAPOKMSRQF-UHFFFAOYSA-N 0 0 400.859 3.137 40 0 HGABRN COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1C ZINC000013580984 558544649 /nfs/dbraw/zinc/54/46/49/558544649.db2.gz LTXJFLUXEGFFOK-UHFFFAOYSA-N 0 0 400.859 3.055 40 0 HGABRN CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581294 558544760 /nfs/dbraw/zinc/54/47/60/558544760.db2.gz QJOUELZCYHPRBY-UHFFFAOYSA-N 0 0 400.516 3.074 40 0 HGABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013582876 558545538 /nfs/dbraw/zinc/54/55/38/558545538.db2.gz GQZBZQNQJDZCCM-UHFFFAOYSA-N 0 0 402.394 3.362 40 0 HGABRN CCOc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000013632354 558552756 /nfs/dbraw/zinc/55/27/56/558552756.db2.gz VMBBOPUNPNDVQU-UHFFFAOYSA-N 0 0 402.516 3.108 40 0 HGABRN C[C@@H]1CN(C[C@@H]2COc3ccccc3O2)[C@@H](C)CN1C[C@@H]1COc2ccccc2O1 ZINC000023478545 558559421 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HGABRN COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C ZINC000006234994 569330206 /nfs/dbraw/zinc/33/02/06/569330206.db2.gz XPTFHVHBOMXGCD-UHFFFAOYSA-N 0 0 403.378 3.366 40 0 HGABRN C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)NC2CCCC2)n1C ZINC000006267676 569330275 /nfs/dbraw/zinc/33/02/75/569330275.db2.gz OFBGHWULMMUNCT-GFCCVEGCSA-N 0 0 421.954 3.110 40 0 HGABRN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccccc1F ZINC000006356630 569331573 /nfs/dbraw/zinc/33/15/73/569331573.db2.gz OAXYNVWHGMMZDC-UHFFFAOYSA-N 0 0 413.478 3.349 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3OC)C2)cc1C ZINC000006425251 569332084 /nfs/dbraw/zinc/33/20/84/569332084.db2.gz AYFPAKYOPFYUDK-MRXNPFEDSA-N 0 0 418.515 3.052 40 0 HGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCCCOC(C)C)c2ccccc2F)cc1 ZINC000006477447 569332835 /nfs/dbraw/zinc/33/28/35/569332835.db2.gz YMEQWQXWDDSCDN-UHFFFAOYSA-N 0 0 422.522 3.261 40 0 HGABRN Cc1ccc(Cl)cc1NC(=O)COc1ccccc1[C@@H]1CC(=O)Nc2ncnn21 ZINC000006503861 569333116 /nfs/dbraw/zinc/33/31/16/569333116.db2.gz HUIXQPFYXDMPNX-INIZCTEOSA-N 0 0 411.849 3.189 40 0 HGABRN CCn1c(SCC(=O)NC2CCCC2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000006711076 569334490 /nfs/dbraw/zinc/33/44/90/569334490.db2.gz IDHXZNYPDLUXIQ-HNNXBMFYSA-N 0 0 415.563 3.248 40 0 HGABRN CCn1c(SCC(=O)NC2CCCC2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000006711068 569334502 /nfs/dbraw/zinc/33/45/02/569334502.db2.gz IDHXZNYPDLUXIQ-OAHLLOKOSA-N 0 0 415.563 3.248 40 0 HGABRN CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(OCC)c1 ZINC000006961705 569336137 /nfs/dbraw/zinc/33/61/37/569336137.db2.gz RACFJSDDDOOMEG-GZTJUZNOSA-N 0 0 404.488 3.143 40 0 HGABRN C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O ZINC000007232396 569336870 /nfs/dbraw/zinc/33/68/70/569336870.db2.gz VKCRKRFBZPDDJF-GOEBONIOSA-N 0 0 400.862 3.431 40 0 HGABRN CCOC(=O)N1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)CC1 ZINC000007604366 569337873 /nfs/dbraw/zinc/33/78/73/569337873.db2.gz JBCVJOZFWWYILD-UHFFFAOYSA-N 0 0 405.454 3.090 40 0 HGABRN COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)CC2=O)c(OC)c1 ZINC000007881542 569338101 /nfs/dbraw/zinc/33/81/01/569338101.db2.gz IQBCIEUPPMDWIB-RDJZCZTQSA-N 0 0 411.454 3.180 40 0 HGABRN CCc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCCC4=O)c3)CC2=O)cc1 ZINC000007928577 569338482 /nfs/dbraw/zinc/33/84/82/569338482.db2.gz AZKYFNDXYMJFEA-QGZVFWFLSA-N 0 0 420.465 3.251 40 0 HGABRN O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000007940230 569338866 /nfs/dbraw/zinc/33/88/66/569338866.db2.gz JGOGGYODKFJEJV-CYBMUJFWSA-N 0 0 412.408 3.368 40 0 HGABRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)c1 ZINC000008037218 569338936 /nfs/dbraw/zinc/33/89/36/569338936.db2.gz YIUPMTGLDFQNEG-OAHLLOKOSA-N 0 0 400.862 3.492 40 0 HGABRN COc1ccc(OC)c(NC(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000008041263 569339227 /nfs/dbraw/zinc/33/92/27/569339227.db2.gz XAFRICBINOXRIL-UHFFFAOYSA-N 0 0 406.504 3.197 40 0 HGABRN CCc1ccc(NC(=O)Cn2nc(CNC(=O)c3ccccc3C)n(C)c2=S)cc1 ZINC000008086201 569339366 /nfs/dbraw/zinc/33/93/66/569339366.db2.gz FJCMJWHWICCLOY-UHFFFAOYSA-N 0 0 423.542 3.391 40 0 HGABRN Cc1cc(-c2ccc(C=C3C(=O)NC(=S)N(C)C3=O)o2)ccc1Br ZINC000008336207 569340114 /nfs/dbraw/zinc/34/01/14/569340114.db2.gz CWNJOCXUOMIIJQ-WQLSENKSSA-N 0 0 405.273 3.274 40 0 HGABRN COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000008369223 569340213 /nfs/dbraw/zinc/34/02/13/569340213.db2.gz UFKPALRTYUXSNG-UHFFFAOYSA-N 0 0 414.527 3.337 40 0 HGABRN COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c(OC)c1 ZINC000008412587 569340328 /nfs/dbraw/zinc/34/03/28/569340328.db2.gz ABZADJDFTYCWAY-UHFFFAOYSA-N 0 0 414.458 3.303 40 0 HGABRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(C)c2)cc1 ZINC000008413051 569340391 /nfs/dbraw/zinc/34/03/91/569340391.db2.gz LUJVQGBWQVUAIX-UHFFFAOYSA-N 0 0 412.442 3.072 40 0 HGABRN CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1 ZINC000008413725 569340450 /nfs/dbraw/zinc/34/04/50/569340450.db2.gz MYUWLXWXLFQBOV-UHFFFAOYSA-N 0 0 402.834 3.443 40 0 HGABRN COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000008414730 569340542 /nfs/dbraw/zinc/34/05/42/569340542.db2.gz NOESBSKXQVKKKK-UHFFFAOYSA-N 0 0 420.849 3.258 40 0 HGABRN CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000008415251 569340575 /nfs/dbraw/zinc/34/05/75/569340575.db2.gz MZEWEJQURINDKD-UHFFFAOYSA-N 0 0 412.442 3.189 40 0 HGABRN COc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(C)=O)c1 ZINC000008417023 569340718 /nfs/dbraw/zinc/34/07/18/569340718.db2.gz QBTXPMNMHIWMAV-UHFFFAOYSA-N 0 0 412.442 3.189 40 0 HGABRN Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2c(C)cccc2C)c(=S)n1C ZINC000008570976 569341765 /nfs/dbraw/zinc/34/17/65/569341765.db2.gz XJGVPRKOXYPLSP-UHFFFAOYSA-N 0 0 423.542 3.445 40 0 HGABRN Cc1ccccc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S ZINC000008570982 569341791 /nfs/dbraw/zinc/34/17/91/569341791.db2.gz GCTZRDPLBQFJBY-UHFFFAOYSA-N 0 0 409.515 3.137 40 0 HGABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(C(C)C)cc2)C1C(=O)c1cccs1 ZINC000010232419 569343177 /nfs/dbraw/zinc/34/31/77/569343177.db2.gz GJTRALLWIYPRJF-QGZVFWFLSA-N 0 0 409.471 3.183 40 0 HGABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000010302914 569343361 /nfs/dbraw/zinc/34/33/61/569343361.db2.gz QFVMRKBVXZHROJ-UHFFFAOYSA-N 0 0 420.506 3.491 40 0 HGABRN O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000010317686 569343651 /nfs/dbraw/zinc/34/36/51/569343651.db2.gz RLEYCYPQDFJSBO-UHFFFAOYSA-N 0 0 416.282 3.339 40 0 HGABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C(N)=O)cc3)ccc2C)cc1 ZINC000010329237 569343804 /nfs/dbraw/zinc/34/38/04/569343804.db2.gz WCVLGQODVYDEAT-UHFFFAOYSA-N 0 0 423.494 3.455 40 0 HGABRN COc1ccc(CN(C)C(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000010434316 569344370 /nfs/dbraw/zinc/34/43/70/569344370.db2.gz YVAMPLUVEVCGDR-UHFFFAOYSA-N 0 0 418.559 3.417 40 0 HGABRN Cc1c2cc(F)ccc2[nH]c1CN1CCc2c(=O)[nH]c(N3CCC[C@@H](C)C3)nc2C1 ZINC000012184780 569344618 /nfs/dbraw/zinc/34/46/18/569344618.db2.gz BLVPILPYUBVKCQ-CQSZACIVSA-N 0 0 409.509 3.493 40 0 HGABRN COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 ZINC000015083152 569344940 /nfs/dbraw/zinc/34/49/40/569344940.db2.gz BZHMYGCOHKCGPG-LBPRGKRZSA-N 0 0 404.850 3.357 40 0 HGABRN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(OC)c1 ZINC000015654664 569345063 /nfs/dbraw/zinc/34/50/63/569345063.db2.gz UJVRSBJYRMYDDL-UHFFFAOYSA-N 0 0 418.515 3.439 40 0 HGABRN CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000019694705 569346634 /nfs/dbraw/zinc/34/66/34/569346634.db2.gz UIMXDOXHGLZULY-LJQANCHMSA-N 0 0 421.545 3.205 40 0 HGABRN NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000019700502 569347185 /nfs/dbraw/zinc/34/71/85/569347185.db2.gz YGBOHHNWJAHODD-NRFANRHFSA-N 0 0 410.489 3.308 40 0 HGABRN CN(C)C(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCC2)CC1 ZINC000019700358 569347191 /nfs/dbraw/zinc/34/71/91/569347191.db2.gz BOPXYXZOQIVKIU-UHFFFAOYSA-N 0 0 406.530 3.183 40 0 HGABRN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(CC(=O)NC2CCCCC2)C1 ZINC000019702000 569347364 /nfs/dbraw/zinc/34/73/64/569347364.db2.gz GIYNELGZXBIVNY-OAHLLOKOSA-N 0 0 414.575 3.236 40 0 HGABRN COc1ccc(CC(=O)Nc2cccc([C@H]3C[C@@H](NC(C)=O)CCO3)c2)cc1OC ZINC000019712159 569348293 /nfs/dbraw/zinc/34/82/93/569348293.db2.gz CXLVNRBAVRPFBH-PZJWPPBQSA-N 0 0 412.486 3.241 40 0 HGABRN C[C@@H]1C[C@@H]2[C@@H](C[C@H](O)[C@@]3(Cl)[C@H]2CCC2=CC(=O)C=C[C@@]23C)[C@@]1(O)C(=O)CCl ZINC000022001678 569349773 /nfs/dbraw/zinc/34/97/73/569349773.db2.gz FSYKOOROHIBYBP-JVRIVZIXSA-N 0 0 413.341 3.021 40 0 HGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)C2)cc1 ZINC000022539838 569349798 /nfs/dbraw/zinc/34/97/98/569349798.db2.gz CKMDWUUIJKVABG-SJLPKXTDSA-N 0 0 404.507 3.412 40 0 HGABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NC3CCCC3)CC2=O)cc1 ZINC000028420219 569350285 /nfs/dbraw/zinc/35/02/85/569350285.db2.gz HNBNFQOTULZZLU-INIZCTEOSA-N 0 0 421.497 3.359 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl ZINC000030333285 569350333 /nfs/dbraw/zinc/35/03/33/569350333.db2.gz HINFIIXARGLCPS-UHFFFAOYSA-N 0 0 422.934 3.066 40 0 HGABRN O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)o2)C1=O)N1CCCCC1 ZINC000033390377 569350530 /nfs/dbraw/zinc/35/05/30/569350530.db2.gz WVIVHJLTFLFRKO-SSZFMOIBSA-N 0 0 403.504 3.319 40 0 HGABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)c1 ZINC000033546325 569350583 /nfs/dbraw/zinc/35/05/83/569350583.db2.gz XWEPZDJUEKOVJN-MRXNPFEDSA-N 0 0 418.515 3.052 40 0 HGABRN C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cccc(F)c2)n1C ZINC000033765326 569351313 /nfs/dbraw/zinc/35/13/13/569351313.db2.gz ZOFWVWKKINXGBJ-ZDUSSCGKSA-N 0 0 413.478 3.176 40 0 HGABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1C ZINC000062391424 569352448 /nfs/dbraw/zinc/35/24/48/569352448.db2.gz STSWSJJCZULXBV-HNNXBMFYSA-N 0 0 400.862 3.492 40 0 HGABRN COCCn1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1C ZINC000107564260 569352685 /nfs/dbraw/zinc/35/26/85/569352685.db2.gz QNXVYJLAEXHYPZ-LICLKQGHSA-N 0 0 418.471 3.367 40 0 HGABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(F)cc2)cc1 ZINC000107697768 569352792 /nfs/dbraw/zinc/35/27/92/569352792.db2.gz YSMQZXVRLNUGGT-UHFFFAOYSA-N 0 0 408.495 3.288 40 0 HGABRN Cc1c(Cl)cccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000108140316 569353475 /nfs/dbraw/zinc/35/34/75/569353475.db2.gz FRWXTPHASKYVSB-UHFFFAOYSA-N 0 0 424.682 3.104 40 0 HGABRN Cc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000136285917 569353951 /nfs/dbraw/zinc/35/39/51/569353951.db2.gz JGCLHGCIEQDQOH-PMACEKPBSA-N 0 0 418.449 3.246 40 0 HGABRN Cc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000136286789 569353961 /nfs/dbraw/zinc/35/39/61/569353961.db2.gz MRFCBHPEQGONOO-PMACEKPBSA-N 0 0 420.465 3.470 40 0 HGABRN Cc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000136287317 569353998 /nfs/dbraw/zinc/35/39/98/569353998.db2.gz CFQMPOHUCUMNEN-KDURUIRLSA-N 0 0 420.465 3.470 40 0 HGABRN O=C1OC(c2ccccc2)=N/C1=C/c1ccc(SC(=S)N2CCOCC2)o1 ZINC000211405772 569355981 /nfs/dbraw/zinc/35/59/81/569355981.db2.gz CVDYELAETGDUMM-NTCAYCPXSA-N 0 0 400.481 3.333 40 0 HGABRN CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000257354192 569364385 /nfs/dbraw/zinc/36/43/85/569364385.db2.gz WGEWUYACXPEFPO-AULYBMBSSA-N 0 0 407.458 3.316 40 0 investigational HGABRN COc1cc(/C=C/C(=O)NCCO)cc(Br)c1OCc1cccc(C)c1 ZINC000062715489 569388335 /nfs/dbraw/zinc/38/83/35/569388335.db2.gz OTLKAPVWPDVWQL-VOTSOKGWSA-N 0 0 420.303 3.467 40 0 HGABRN COCCCn1c2nnc(SCc3cn4ccccc4n3)n2c2ccccc2c1=O ZINC000009608405 569393699 /nfs/dbraw/zinc/39/36/99/569393699.db2.gz NUHZQWWDLZSWME-UHFFFAOYSA-N 0 0 420.498 3.021 40 0 HGABRN COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000018209274 569396679 /nfs/dbraw/zinc/39/66/79/569396679.db2.gz AIRJRZRRFRLGKT-UFYCRDLUSA-N 0 0 418.405 3.117 40 0 HGABRN Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000585291412 571306448 /nfs/dbraw/zinc/30/64/48/571306448.db2.gz CJJYBPGWBFDDIL-GNISGLHKSA-N 0 0 400.486 4.004 40 0 HGABRN COc1ccc(Nc2cc(-c3ccccn3)nc(N[C@@H](CO)C(C)C)n2)c(OC)c1 ZINC000329029210 571309285 /nfs/dbraw/zinc/30/92/85/571309285.db2.gz PYDMZSFZNSBEQD-IBGZPJMESA-N 0 0 409.490 3.728 40 0 HGABRN Cc1nc(/C=C/C(=O)N2CCCC[C@@H]2c2nc(C)cc(Nc3cnccn3)n2)cs1 ZINC000585290765 571309729 /nfs/dbraw/zinc/30/97/29/571309729.db2.gz DUMOODJLAPYOAY-DKRLNXSXSA-N 0 0 421.530 3.851 40 0 HGABRN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 ZINC000253394073 291233111 /nfs/dbraw/zinc/23/31/11/291233111.db2.gz AABAHUOKZNXNNN-FQEVSTJZSA-N 0 0 411.933 3.401 40 0 biogenic,in-vitro HGABRN CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)NC(C)C)C2)C3)cc1 ZINC000005437856 291232074 /nfs/dbraw/zinc/23/20/74/291232074.db2.gz CWVWUJQEYPDOIY-FUHWJXTLSA-N 0 0 408.502 3.011 40 0 biogenic,in-vitro HGABRN CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CC[NH+](CC(=O)[O-])CC1)CC2 ZINC000004222621 291234044 /nfs/dbraw/zinc/23/40/44/291234044.db2.gz JXJCFAYWMHSPCL-PKOBYXMFSA-N 0 0 416.562 3.062 40 0 biogenic,in-vitro HGABRN CCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cncn3C)o2)C[C@H]1C(C)C ZINC000035442811 291234416 /nfs/dbraw/zinc/23/44/16/291234416.db2.gz GQAQTNVNOCAKCX-ULQDDVLXSA-N 0 0 400.527 3.186 40 0 biogenic,in-vitro HGABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1cccs1 ZINC000015676484 291236137 /nfs/dbraw/zinc/23/61/37/291236137.db2.gz MZGOCRARPNPKFZ-INIZCTEOSA-N 0 0 415.902 3.386 40 0 biogenic,in-vitro HGABRN CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3cnccn3)C2)cc1 ZINC000004237198 291241348 /nfs/dbraw/zinc/24/13/48/291241348.db2.gz IGNMJNNSMYZOFK-DOTOQJQBSA-N 0 0 418.522 3.287 40 0 biogenic,in-vitro HGABRN O=C(NCc1ccco1)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000012530214 291243582 /nfs/dbraw/zinc/24/35/82/291243582.db2.gz ABGGYRSRQRRRBX-SFHVURJKSA-N 0 0 404.392 3.265 40 0 biogenic,in-vitro HGABRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3c4c(nc5ncnn53)CCC4)C2)cc1Cl ZINC000004898178 132292192 /nfs/dbraw/zinc/29/21/92/132292192.db2.gz JQQJXWNJHPHVSH-CQSZACIVSA-N 0 0 410.909 3.430 40 0 HGABRN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2cc(Br)ccc21 ZINC000009235202 132337429 /nfs/dbraw/zinc/33/74/29/132337429.db2.gz HBVVKGKCKQYADW-UHFFFAOYSA-N 0 0 421.678 3.417 40 0 HGABRN CNc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009937755 132344357 /nfs/dbraw/zinc/34/43/57/132344357.db2.gz OKHFHJLUINMNQK-INIZCTEOSA-N 0 0 403.486 3.351 40 0 HGABRN CC[C@H]1Oc2ccc([C@H](O)c3ccco3)cc2N(CC(=O)NC2CCCCC2)C1=O ZINC000012233547 132357315 /nfs/dbraw/zinc/35/73/15/132357315.db2.gz PZCFQHLLRNMFAM-GCJKJVERSA-N 0 0 412.486 3.314 40 0 HGABRN Cc1ccc([C@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)cc1C ZINC000019213626 132466513 /nfs/dbraw/zinc/46/65/13/132466513.db2.gz NFFRAOJDSUFVIU-HSZRJFAPSA-N 0 0 402.498 3.449 40 0 HGABRN C[C@H](C(=O)Nc1ccccc1OCCn1cccn1)N1c2ccccc2O[C@@H](C)C1=O ZINC000019462074 132467465 /nfs/dbraw/zinc/46/74/65/132467465.db2.gz UXGLFDZEXWQJGT-SJORKVTESA-N 0 0 420.469 3.103 40 0 HGABRN CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)CCC3)C1 ZINC000019706716 132469033 /nfs/dbraw/zinc/46/90/33/132469033.db2.gz YZIABTHZGBJEAE-LJQANCHMSA-N 0 0 414.575 3.267 40 0 HGABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 ZINC000030756049 132497166 /nfs/dbraw/zinc/49/71/66/132497166.db2.gz UQXLNOQMPLTUFI-IFXJQAMLSA-N 0 0 422.934 3.361 40 0 HGABRN CSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000030938148 132497736 /nfs/dbraw/zinc/49/77/36/132497736.db2.gz DXVXBVWTDINNAF-HNNXBMFYSA-N 0 0 412.920 3.228 40 0 HGABRN CC(=O)Nc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 ZINC000225729614 519723433 /nfs/dbraw/zinc/72/34/33/519723433.db2.gz KVDFAUGDXHLUMS-UHFFFAOYSA-N 0 0 414.259 3.361 40 0 HGABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 ZINC000044903302 521520855 /nfs/dbraw/zinc/52/08/55/521520855.db2.gz IYMHZGZKINZJEM-UHFFFAOYSA-N 0 0 422.890 3.444 40 0 HGABRN CCN1CCN(S(=O)(=O)c2cc(Br)c3cccc4c3c2CC4)CC1 ZINC000041105693 521690663 /nfs/dbraw/zinc/69/06/63/521690663.db2.gz IAALWFJPEMIRBZ-UHFFFAOYSA-N 0 0 409.349 3.027 40 0 HGABRN CCNC(=O)CCC/C=C/C[C@H]1[C@@H](/C=C/[C@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000045789174 521734318 /nfs/dbraw/zinc/73/43/18/521734318.db2.gz AQOKCDNYWBIDND-YDOJIBIKSA-N 0 0 415.574 3.147 40 0 in-vitro HGABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000020245643 521957196 /nfs/dbraw/zinc/95/71/96/521957196.db2.gz FOXDVVAHESZJKK-UHFFFAOYSA-N 0 0 401.410 3.200 40 0 HGABRN CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(C)c1 ZINC000225731247 522384145 /nfs/dbraw/zinc/38/41/45/522384145.db2.gz NSWHKMJAPKVVOR-IBGZPJMESA-N 0 0 420.531 3.046 40 0 HGABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCCCOC ZINC000020453665 522887296 /nfs/dbraw/zinc/88/72/96/522887296.db2.gz FGLJCQMZAKMXNT-FQEVSTJZSA-N 0 0 400.475 3.258 40 0 HGABRN COCCC(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000019765077 522945138 /nfs/dbraw/zinc/94/51/38/522945138.db2.gz LCPXUULRBFQLOB-SFHVURJKSA-N 0 0 400.454 3.267 40 0 HGABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000040390641 523031955 /nfs/dbraw/zinc/03/19/55/523031955.db2.gz DCJCPKWMUWTVKI-HOTGVXAUSA-N 0 0 423.517 3.220 40 0 HGABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCSc1ccccc1 ZINC000225763891 523041904 /nfs/dbraw/zinc/04/19/04/523041904.db2.gz WGPNUUGIQRQPKY-LJQANCHMSA-N 0 0 422.572 3.148 40 0 HGABRN CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nnc(-c3cccs3)o2)c(C)n1 ZINC000072390142 523442556 /nfs/dbraw/zinc/44/25/56/523442556.db2.gz ADTAGSCSUSULIQ-ZDUSSCGKSA-N 0 0 407.521 3.239 40 0 HGABRN CN([C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1)S(C)(=O)=O ZINC000225855572 523623172 /nfs/dbraw/zinc/62/31/72/523623172.db2.gz OCZOGZNOJZKVNC-OAHLLOKOSA-N 0 0 415.284 3.159 40 0 HGABRN CCn1nnc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000032127077 523761625 /nfs/dbraw/zinc/76/16/25/523761625.db2.gz GHKDTNOMBCCEAJ-UHFFFAOYSA-N 0 0 411.274 3.387 40 0 HGABRN CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 ZINC000040399633 523990619 /nfs/dbraw/zinc/99/06/19/523990619.db2.gz JIYWCVLYFDFTJE-INIZCTEOSA-N 0 0 421.432 3.280 40 0 HGABRN C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NC2CCCCC2)n1 ZINC000226008083 524117066 /nfs/dbraw/zinc/11/70/66/524117066.db2.gz ITGLNBMXSCTSLA-MRXNPFEDSA-N 0 0 418.611 3.311 40 0 HGABRN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000044905921 524204997 /nfs/dbraw/zinc/20/49/97/524204997.db2.gz MNIZVPDRPREBLV-UZLBHIALSA-N 0 0 402.516 3.016 40 0 HGABRN COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccc(F)cc4)c3c2=O)cc1 ZINC000040398321 524262196 /nfs/dbraw/zinc/26/21/96/524262196.db2.gz HSFQWFYMKBCOHD-UHFFFAOYSA-N 0 0 401.401 3.302 40 0 HGABRN COc1ccccc1N1C(SCc2cccc(F)c2)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032639849 524537319 /nfs/dbraw/zinc/53/73/19/524537319.db2.gz OPNUPEKGGCYBGE-DOTOQJQBSA-N 0 0 406.504 3.109 40 0 HGABRN COc1ccccc1N1C(SCc2ccc(C)cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000032640735 524537697 /nfs/dbraw/zinc/53/76/97/524537697.db2.gz SJNCFVDGZCMJIW-SJLPKXTDSA-N 0 0 402.541 3.279 40 0 HGABRN COc1ccccc1N1C(SCc2ccccc2F)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032641130 524537792 /nfs/dbraw/zinc/53/77/92/524537792.db2.gz LDCBWAKGCFJNAC-RDJZCZTQSA-N 0 0 406.504 3.109 40 0 HGABRN COc1ccccc1N1C(SCc2ccc(F)cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032639910 524538058 /nfs/dbraw/zinc/53/80/58/524538058.db2.gz QXVKFVLTQXYGEN-RDJZCZTQSA-N 0 0 406.504 3.109 40 0 HGABRN Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2C[C@@]3(CCC(=O)N(C)CC3)Oc3ccccc32)n1 ZINC000072327784 524556838 /nfs/dbraw/zinc/55/68/38/524556838.db2.gz IQXWRLJHNTVTPX-FPGHNAPASA-N 0 0 424.545 3.472 40 0 HGABRN C[C@H](CO)Nc1nc(Nc2cccc(O)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328987676 524557184 /nfs/dbraw/zinc/55/71/84/524557184.db2.gz IDVMOHDIHVKZCW-GFCCVEGCSA-N 0 0 420.391 3.128 40 0 HGABRN COc1ccccc1NC(=O)CSc1nnc(COc2ccccc2OC)o1 ZINC000019928435 524599069 /nfs/dbraw/zinc/59/90/69/524599069.db2.gz IVEBCZRMNNLDIV-UHFFFAOYSA-N 0 0 401.444 3.397 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000225865374 525000538 /nfs/dbraw/zinc/00/05/38/525000538.db2.gz MRLQCNCOVSCVOB-INIZCTEOSA-N 0 0 404.532 3.064 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C ZINC000020013710 525002485 /nfs/dbraw/zinc/00/24/85/525002485.db2.gz CMEUVSZSUBHJPR-HNNXBMFYSA-N 0 0 422.572 3.223 40 0 HGABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cc1Cl ZINC000020016233 525067407 /nfs/dbraw/zinc/06/74/07/525067407.db2.gz ZPSWVEAEERQFHG-NSHDSACASA-N 0 0 400.859 3.102 40 0 HGABRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000044847557 525068781 /nfs/dbraw/zinc/06/87/81/525068781.db2.gz UVXPMFDZVMXQHY-OAHLLOKOSA-N 0 0 422.497 3.384 40 0 HGABRN CS(=O)(=O)N1CC[C@@H](C(=O)NCCCc2ccccc2Cl)Oc2ccccc21 ZINC000044906314 525178992 /nfs/dbraw/zinc/17/89/92/525178992.db2.gz JAPDLIGBDOMMIV-IBGZPJMESA-N 0 0 422.934 3.006 40 0 HGABRN C[C@H](NC(=S)Nc1nc(N2CCOCC2)cc(C(F)(F)F)n1)c1ccccc1 ZINC000225963436 525276594 /nfs/dbraw/zinc/27/65/94/525276594.db2.gz GGDDMTPPCORYKO-LBPRGKRZSA-N 0 0 411.453 3.380 40 0 HGABRN Cc1cc(Nc2cccc([C@H]3CCCN(C(=O)c4n[nH]c5c4CCCC5)C3)n2)n[nH]1 ZINC000072382898 525307023 /nfs/dbraw/zinc/30/70/23/525307023.db2.gz NQYFSMABIYGQFF-HNNXBMFYSA-N 0 0 405.506 3.478 40 0 HGABRN Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1C ZINC000044856424 525907567 /nfs/dbraw/zinc/90/75/67/525907567.db2.gz MHHZBUSZOBTWCJ-IFXJQAMLSA-N 0 0 422.934 3.361 40 0 HGABRN COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)C4CCC4)C3)nc2C)c1 ZINC000019753639 526009053 /nfs/dbraw/zinc/00/90/53/526009053.db2.gz BEINPIVYNDDFDB-IBGZPJMESA-N 0 0 422.529 3.230 40 0 HGABRN NC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000032604850 527060254 /nfs/dbraw/zinc/06/02/54/527060254.db2.gz KKOMUIVNTSTMSS-UHFFFAOYSA-N 0 0 418.862 3.132 40 0 HGABRN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3cccc(Cl)c3)[C@@H]2C1 ZINC000032640661 527314840 /nfs/dbraw/zinc/31/48/40/527314840.db2.gz LRIAGPKHALRGHN-ZWKOTPCHSA-N 0 0 422.959 3.494 40 0 HGABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1cccc(F)c1)N2c1ccc(F)cc1F ZINC000032639876 527316072 /nfs/dbraw/zinc/31/60/72/527316072.db2.gz STMQTLQGKSBTPU-WBVHZDCISA-N 0 0 412.458 3.379 40 0 HGABRN Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2CN2CCCC2=O)cc1 ZINC000044853831 527450430 /nfs/dbraw/zinc/45/04/30/527450430.db2.gz JEGWLFNKRSGICI-UHFFFAOYSA-N 0 0 402.498 3.292 40 0 HGABRN Cc1nn(C)c2nc(C)cc(C(=O)N3CCN(c4nc5ccccc5s4)CC3)c12 ZINC000019662748 527683416 /nfs/dbraw/zinc/68/34/16/527683416.db2.gz WTPSWVVFYAFVRA-UHFFFAOYSA-N 0 0 406.515 3.157 40 0 HGABRN COc1ccccc1N1CCN(c2c(C)c(C)nc3cc(-c4nccn4C)nn32)CC1 ZINC000012087629 537071119 /nfs/dbraw/zinc/07/11/19/537071119.db2.gz IXFBOCYUAKZAEY-UHFFFAOYSA-N 0 0 417.517 3.082 40 0 HGABRN CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(CC)cc3)CC2=O)cc1 ZINC000000794288 557082517 /nfs/dbraw/zinc/08/25/17/557082517.db2.gz UOXMNSCSSBJFFS-QGZVFWFLSA-N 0 0 410.470 3.183 40 0 HGABRN CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000875225 557107889 /nfs/dbraw/zinc/10/78/89/557107889.db2.gz XNBSSICFXYAIJF-UHFFFAOYSA-N 0 0 409.511 3.380 40 0 HGABRN Cc1nc(N)n2c(SCC(=O)Nc3ccccc3)nnc2c1Cc1ccccc1 ZINC000001331336 557255918 /nfs/dbraw/zinc/25/59/18/557255918.db2.gz DLGDYMYFLBGGRC-UHFFFAOYSA-N 0 0 404.499 3.337 40 0 HGABRN COc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccccn2)c1 ZINC000001362500 557257203 /nfs/dbraw/zinc/25/72/03/557257203.db2.gz ILEMWVPCPQOBIC-UHFFFAOYSA-N 0 0 409.515 3.443 40 0 HGABRN Cc1cc2c(cc1Cl)SC(NN=c1cnc3ccccc3[nH]1)=NS2(=O)=O ZINC000001645196 557278609 /nfs/dbraw/zinc/27/86/09/557278609.db2.gz DTEIQDMTAPBWNV-UHFFFAOYSA-N 0 0 405.892 3.359 40 0 HGABRN O=C(CCCN1CCC(n2c(=O)n(CO)c3ccccc32)CC1)c1ccc(F)cc1 ZINC000001669060 557279681 /nfs/dbraw/zinc/27/96/81/557279681.db2.gz ACQRYVMWVNCRDN-UHFFFAOYSA-N 0 0 411.477 3.192 40 0 HGABRN Cc1ccc(S(=O)(=O)N2C=CCN(S(=O)(=O)c3ccc(C)cc3)C=CC2)cc1 ZINC000001701338 557281718 /nfs/dbraw/zinc/28/17/18/557281718.db2.gz BELQCFGSYUDSBR-UHFFFAOYSA-N 0 0 418.540 3.026 40 0 HGABRN CCOC(=O)c1ccc(NC(=O)C2(N3C(=O)c4ccccc4C3=O)CCCC2)cc1 ZINC000001719065 557282765 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416.525 3.046 40 0 HGABRN Cc1nn(C)cc1C(=O)N1CCC(c2nc(NC(C)C)ncc2-c2ccccn2)CC1 ZINC000019583462 558937910 /nfs/dbraw/zinc/93/79/10/558937910.db2.gz KOMSAZIIIQFABQ-UHFFFAOYSA-N 0 0 419.533 3.421 40 0 HGABRN CN(C)c1cc([C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)nc(-c2ccncc2)n1 ZINC000019584542 558938608 /nfs/dbraw/zinc/93/86/08/558938608.db2.gz IAMONUOJZWMPCP-MOPGFXCFSA-N 0 0 409.534 3.270 40 0 HGABRN CN(C)c1ccc2cc(C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)[nH]c2c1 ZINC000019585015 558938911 /nfs/dbraw/zinc/93/89/11/558938911.db2.gz AXMGXNJNVJBLPH-UHFFFAOYSA-N 0 0 424.452 3.067 40 0 HGABRN CN1CCN(C(=O)c2cc(N3C(=O)CCC3=O)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000019589362 558940115 /nfs/dbraw/zinc/94/01/15/558940115.db2.gz VMNRSYVWYOFWJS-LJQANCHMSA-N 0 0 411.889 3.122 40 0 HGABRN Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(C(=O)c3cccnc3)C2)on1 ZINC000072342936 558940555 /nfs/dbraw/zinc/94/05/55/558940555.db2.gz XNZWEGCPQAHXEQ-KRWDZBQOSA-N 0 0 402.458 3.416 40 0 HGABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)Cc2cccnc2)C1 ZINC000019591530 558942092 /nfs/dbraw/zinc/94/20/92/558942092.db2.gz CYRPSFPQQSSNHD-AREMUKBSSA-N 0 0 413.521 3.499 40 0 HGABRN COCC(=O)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019592724 558943621 /nfs/dbraw/zinc/94/36/21/558943621.db2.gz NZFWYHCYIOUFIU-MRXNPFEDSA-N 0 0 407.449 3.384 40 0 HGABRN O=C(CN1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1)N1CCOCC1 ZINC000072348742 558945465 /nfs/dbraw/zinc/94/54/65/558945465.db2.gz VAXAHPSNTNXEQP-LJQANCHMSA-N 0 0 413.949 3.364 40 0 HGABRN CCS(=O)(=O)[C@](Cl)(I)C(=O)c1ccc(Cl)cc1 ZINC000096518274 558963221 /nfs/dbraw/zinc/96/32/21/558963221.db2.gz CXWZQINXFRMBPF-SNVBAGLBSA-N 0 0 407.056 3.285 40 0 HGABRN O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350430 558947358 /nfs/dbraw/zinc/94/73/58/558947358.db2.gz IZEBZSGOWFBRDF-MRXNPFEDSA-N 0 0 400.479 3.103 40 0 HGABRN Cc1sc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)nc1-c1ccc2c(c1)OCCO2 ZINC000019656276 558949416 /nfs/dbraw/zinc/94/94/16/558949416.db2.gz XGNYWKZHSUHWJS-CQSZACIVSA-N 0 0 401.488 3.085 40 0 HGABRN O=C(CN1CCCN(c2ccccn2)CC1)Nc1ncc(Cc2ccccc2)s1 ZINC000019657910 558949921 /nfs/dbraw/zinc/94/99/21/558949921.db2.gz RXZFKMMUSNHQFU-UHFFFAOYSA-N 0 0 407.543 3.280 40 0 HGABRN Cc1cccc(N(C)CCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 ZINC000019660396 558951648 /nfs/dbraw/zinc/95/16/48/558951648.db2.gz GRPHEPBDMDPFHK-UHFFFAOYSA-N 0 0 401.532 3.390 40 0 HGABRN CCn1nc([C@H](C)C(=O)Nc2nc(-c3cnn(C)c3C)cs2)c2ccccc2c1=O ZINC000019660584 558951760 /nfs/dbraw/zinc/95/17/60/558951760.db2.gz UULLANKCSIIGLI-LBPRGKRZSA-N 0 0 422.514 3.324 40 0 HGABRN Cn1cc(-c2csc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)n2)cn1 ZINC000019661561 558952741 /nfs/dbraw/zinc/95/27/41/558952741.db2.gz FZIPDXXZSBOKCW-UHFFFAOYSA-N 0 0 403.851 3.134 40 0 HGABRN O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019662136 558953298 /nfs/dbraw/zinc/95/32/98/558953298.db2.gz DPGOAQWOMFTIEV-UHFFFAOYSA-N 0 0 419.865 3.140 40 0 HGABRN Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)c1 ZINC000072358245 558953758 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HGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(F)cc3)C2)cc1 ZINC000222587591 568519413 /nfs/dbraw/zinc/51/94/13/568519413.db2.gz QAIOOMZNVQEGFU-MRXNPFEDSA-N 0 0 420.506 3.288 40 0 HGABRN O=C(NCCSCc1ccccc1F)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222586021 568519450 /nfs/dbraw/zinc/51/94/50/568519450.db2.gz GUBSYNOGGHJDGM-UHFFFAOYSA-N 0 0 422.547 3.419 40 0 HGABRN CCOc1ccccc1N(CCCC(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000222608205 568520432 /nfs/dbraw/zinc/52/04/32/568520432.db2.gz KYWRJBWSONDVHW-UHFFFAOYSA-N 0 0 404.532 3.290 40 0 HGABRN CCOc1ccc(N(CCCC(=O)NCCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000222622600 568521178 /nfs/dbraw/zinc/52/11/78/568521178.db2.gz JNYSRNHKPYKREJ-UHFFFAOYSA-N 0 0 418.559 3.381 40 0 HGABRN CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1ccccc1F ZINC000222658365 568522553 /nfs/dbraw/zinc/52/25/53/568522553.db2.gz KBMVOMMSQDTPNL-UHFFFAOYSA-N 0 0 410.486 3.260 40 0 HGABRN C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000222736002 568525126 /nfs/dbraw/zinc/52/51/26/568525126.db2.gz MCHZPQBETWGRGU-LBPRGKRZSA-N 0 0 412.305 3.401 40 0 HGABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C ZINC000222772081 568526088 /nfs/dbraw/zinc/52/60/88/568526088.db2.gz ZPOLEPUIKUMNDR-QGZVFWFLSA-N 0 0 414.527 3.136 40 0 HGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc(C)cc1 ZINC000222779676 568526285 /nfs/dbraw/zinc/52/62/85/568526285.db2.gz VBMGOAFIWQIUMG-QGZVFWFLSA-N 0 0 400.544 3.400 40 0 HGABRN COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1N1CCCC1=O ZINC000222791337 568526695 /nfs/dbraw/zinc/52/66/95/568526695.db2.gz CFXFLYGWGHDLTO-UHFFFAOYSA-N 0 0 410.495 3.454 40 0 HGABRN CCOc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000222790764 568526767 /nfs/dbraw/zinc/52/67/67/568526767.db2.gz BWSGALAPCVDAAW-UHFFFAOYSA-N 0 0 412.511 3.321 40 0 HGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(OC)c(OC)c1 ZINC000222805351 568526984 /nfs/dbraw/zinc/52/69/84/568526984.db2.gz QQKXNMVBGBBXTK-OAHLLOKOSA-N 0 0 418.921 3.453 40 0 HGABRN COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222841636 568528099 /nfs/dbraw/zinc/52/80/99/568528099.db2.gz DELUTPDAHYXGSH-KRWDZBQOSA-N 0 0 402.922 3.453 40 0 HGABRN C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222845593 568528212 /nfs/dbraw/zinc/52/82/12/568528212.db2.gz FPFKWSUOKGYKPM-HNNXBMFYSA-N 0 0 423.340 3.452 40 0 HGABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN1c2cccc3cccc(c23)C1=O ZINC000222896897 568529953 /nfs/dbraw/zinc/52/99/53/568529953.db2.gz WWLJNOFUCQWNOO-KRWDZBQOSA-N 0 0 415.493 3.006 40 0 HGABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000222913812 568530565 /nfs/dbraw/zinc/53/05/65/568530565.db2.gz LSHIUGUBEGLUSK-HNNXBMFYSA-N 0 0 400.450 3.244 40 0 HGABRN C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2 ZINC000222932682 568531432 /nfs/dbraw/zinc/53/14/32/568531432.db2.gz PKYKEMCMCBBWDH-KRWDZBQOSA-N 0 0 415.559 3.056 40 0 HGABRN O=C(Cc1ccccc1)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222938033 568531765 /nfs/dbraw/zinc/53/17/65/568531765.db2.gz GGWUFGNZQUJIPI-HSZRJFAPSA-N 0 0 400.478 3.382 40 0 HGABRN COc1ccc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222948022 568531990 /nfs/dbraw/zinc/53/19/90/568531990.db2.gz XCIRCEGJNSZXBY-HSZRJFAPSA-N 0 0 416.477 3.462 40 0 HGABRN Cc1cc(C)c(S(=O)(=O)NCCSc2n[nH]c(-c3ccccc3)n2)c(C)c1 ZINC000222974429 568532737 /nfs/dbraw/zinc/53/27/37/568532737.db2.gz KWUIRKNTLSIVRE-UHFFFAOYSA-N 0 0 402.545 3.468 40 0 HGABRN CCCSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)s1 ZINC000222989592 568533350 /nfs/dbraw/zinc/53/33/50/568533350.db2.gz KNJPNRWXKJSTIW-UHFFFAOYSA-N 0 0 406.942 3.317 40 0 HGABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000222992083 568533457 /nfs/dbraw/zinc/53/34/57/568533457.db2.gz IERRZBDLQNITSX-NRFANRHFSA-N 0 0 416.543 3.300 40 0 HGABRN CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)OCC)cc2)cc1 ZINC000222999452 568533836 /nfs/dbraw/zinc/53/38/36/568533836.db2.gz ZCWMJZFKVQMLQH-UHFFFAOYSA-N 0 0 406.460 3.161 40 0 HGABRN C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 ZINC000223003253 568534017 /nfs/dbraw/zinc/53/40/17/568534017.db2.gz FHVZHOZCYNMQLX-HRAATJIYSA-N 0 0 400.544 3.375 40 0 HGABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 ZINC000223021650 568534451 /nfs/dbraw/zinc/53/44/51/568534451.db2.gz JHKUWMHQNWRDQV-RTWAWAEBSA-N 0 0 408.527 3.500 40 0 HGABRN Cc1sc2ncc(C(=O)N3CCc4cc(Br)ccc43)c(=O)n2c1C ZINC000223036768 568535114 /nfs/dbraw/zinc/53/51/14/568535114.db2.gz NTUCZPYONSEWSK-UHFFFAOYSA-N 0 0 404.289 3.338 40 0 HGABRN CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1C ZINC000223058663 568536130 /nfs/dbraw/zinc/53/61/30/568536130.db2.gz RBUNVUIFMJIFOC-FQEVSTJZSA-N 0 0 404.532 3.200 40 0 HGABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000223063683 568536318 /nfs/dbraw/zinc/53/63/18/568536318.db2.gz WRYPTOALVIICDJ-MRXNPFEDSA-N 0 0 420.506 3.257 40 0 HGABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000223170811 568539895 /nfs/dbraw/zinc/53/98/95/568539895.db2.gz MUAJUQMBYPSDNV-QGZVFWFLSA-N 0 0 418.559 3.372 40 0 HGABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223191566 568540611 /nfs/dbraw/zinc/54/06/11/568540611.db2.gz DFCGUDISVNOWQM-HSZRJFAPSA-N 0 0 405.473 3.497 40 0 HGABRN COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 ZINC000223260321 568543062 /nfs/dbraw/zinc/54/30/62/568543062.db2.gz FPPOYWKIERXYDK-XMMPIXPASA-N 0 0 417.509 3.366 40 0 HGABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C[C@@H]1CCCO1 ZINC000223303513 568544628 /nfs/dbraw/zinc/54/46/28/568544628.db2.gz RHNMNDDUBMMESE-PZBISTMVSA-N 0 0 412.559 3.214 40 0 HGABRN CSc1nnc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)s1 ZINC000223311763 568544926 /nfs/dbraw/zinc/54/49/26/568544926.db2.gz NYNSBDRGUWJIDV-UHFFFAOYSA-N 0 0 420.541 3.337 40 0 HGABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc(C(=O)OC)c2)cc1OCC ZINC000223319464 568545139 /nfs/dbraw/zinc/54/51/39/568545139.db2.gz IMXWJWRFDQZIII-CQSZACIVSA-N 0 0 407.488 3.310 40 0 HGABRN Cc1c(C(=O)Nc2nnc(-c3ccccc3)s2)cccc1N(C)S(C)(=O)=O ZINC000223364848 568546520 /nfs/dbraw/zinc/54/65/20/568546520.db2.gz PMXCQRPSLRGMMF-UHFFFAOYSA-N 0 0 402.501 3.162 40 0 HGABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccccc1 ZINC000223418046 568548260 /nfs/dbraw/zinc/54/82/60/568548260.db2.gz QSHCKMMCYZYUIV-FQEVSTJZSA-N 0 0 400.544 3.482 40 0 HGABRN CCOCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000223420055 568548370 /nfs/dbraw/zinc/54/83/70/568548370.db2.gz ONGMPWFDBNEZFA-UHFFFAOYSA-N 0 0 422.503 3.121 40 0 HGABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1C ZINC000223446741 568549077 /nfs/dbraw/zinc/54/90/77/568549077.db2.gz DORNGUQBXPQFSX-KRWDZBQOSA-N 0 0 403.548 3.345 40 0 HGABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1C ZINC000223461790 568549654 /nfs/dbraw/zinc/54/96/54/568549654.db2.gz MPJHRCJUAOFGQW-JXFKEZNVSA-N 0 0 402.516 3.016 40 0 HGABRN COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1N1C(=O)CCC1=O ZINC000223541600 568551294 /nfs/dbraw/zinc/55/12/94/568551294.db2.gz LSDMPLYAIOBKIF-UHFFFAOYSA-N 0 0 402.472 3.273 40 0 HGABRN Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 ZINC000223589415 568552531 /nfs/dbraw/zinc/55/25/31/568552531.db2.gz TVORCXLISVSQQV-AWEZNQCLSA-N 0 0 416.528 3.447 40 0 HGABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCO ZINC000223609232 568553256 /nfs/dbraw/zinc/55/32/56/568553256.db2.gz GQKFOWCXXXCXJX-LEWJYISDSA-N 0 0 408.527 3.236 40 0 HGABRN CCCc1ccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000223624857 568553750 /nfs/dbraw/zinc/55/37/50/568553750.db2.gz UEAAZWOMRARUBX-UHFFFAOYSA-N 0 0 418.559 3.217 40 0 HGABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223629003 568553997 /nfs/dbraw/zinc/55/39/97/568553997.db2.gz QFZRCJUSJJJKIB-OALUTQOASA-N 0 0 413.934 3.276 40 0 HGABRN Cc1ccccc1CS(=O)(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000223639300 568554444 /nfs/dbraw/zinc/55/44/44/568554444.db2.gz MBBXOYDXFNTKOK-UHFFFAOYSA-N 0 0 422.304 3.427 40 0 HGABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cn1 ZINC000223680117 568555943 /nfs/dbraw/zinc/55/59/43/568555943.db2.gz DRYYFWNSUABZKF-RTWAWAEBSA-N 0 0 421.526 3.111 40 0 HGABRN CCCC[C@H](CC)CNC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223685457 568556233 /nfs/dbraw/zinc/55/62/33/568556233.db2.gz FYPOLFYYTYUEDD-AWEZNQCLSA-N 0 0 404.960 3.447 40 0 HGABRN COC(=O)c1ccc(CS(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223709927 568556976 /nfs/dbraw/zinc/55/69/76/568556976.db2.gz YJDQPVRWZHWLKY-UHFFFAOYSA-N 0 0 405.516 3.269 40 0 HGABRN Cn1c2ccc(S(=O)(=O)NCCOc3ccccc3C(C)(C)C)cc2sc1=O ZINC000223742178 568557828 /nfs/dbraw/zinc/55/78/28/568557828.db2.gz CPUGPCQSFPJRIN-UHFFFAOYSA-N 0 0 420.556 3.255 40 0 HGABRN CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223769926 568558689 /nfs/dbraw/zinc/55/86/89/568558689.db2.gz QWIMVRHTDVRARB-INIZCTEOSA-N 0 0 422.522 3.299 40 0 HGABRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1N1CCCC1=O ZINC000223788983 568559217 /nfs/dbraw/zinc/55/92/17/568559217.db2.gz GXZJFURTBXFIRK-UHFFFAOYSA-N 0 0 413.499 3.049 40 0 HGABRN CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCOc1ccccc1 ZINC000223823790 568559947 /nfs/dbraw/zinc/55/99/47/568559947.db2.gz GCWJJWFWVMFEHE-UHFFFAOYSA-N 0 0 424.522 3.462 40 0 HGABRN COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)ccc1Cl ZINC000223835010 568560332 /nfs/dbraw/zinc/56/03/32/568560332.db2.gz MNZNOZALKYIZQB-UHFFFAOYSA-N 0 0 408.863 3.054 40 0 HGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(OC)cc1 ZINC000223843434 568560560 /nfs/dbraw/zinc/56/05/60/568560560.db2.gz VWIHIDLPELNCPJ-INIZCTEOSA-N 0 0 402.466 3.157 40 0 HGABRN O=C(NCCCOC(=O)c1snnc1-c1ccc(F)cc1)c1cccc(F)c1 ZINC000223844531 568560748 /nfs/dbraw/zinc/56/07/48/568560748.db2.gz ZAOZMDPGZTVPPI-UHFFFAOYSA-N 0 0 403.410 3.460 40 0 HGABRN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)c1 ZINC000223864478 568561147 /nfs/dbraw/zinc/56/11/47/568561147.db2.gz QUDQMKJNIYPCAW-UHFFFAOYSA-N 0 0 407.488 3.056 40 0 HGABRN 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ZINC000072391550 522738907 /nfs/dbraw/zinc/73/89/07/522738907.db2.gz DQDDQCHHPBBHGN-DEOSSOPVSA-N 0 0 412.505 3.379 40 0 HGABRN CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000044935501 522771604 /nfs/dbraw/zinc/77/16/04/522771604.db2.gz YLRDLQWMLHDTAV-CRAIPNDOSA-N 0 0 408.907 3.135 40 0 HGABRN COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@H]2[C@@H]1C ZINC000020466783 522778475 /nfs/dbraw/zinc/77/84/75/522778475.db2.gz AVPRHXKBNPWLFP-JZCCEULGSA-N 0 0 422.610 3.026 40 0 biogenic,in-vitro HGABRN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000020572964 522869736 /nfs/dbraw/zinc/86/97/36/522869736.db2.gz GXXDUYNDEJDOHA-GMXFZRDWSA-N 0 0 411.285 3.213 40 0 HGABRN COc1cc2cc3[nH]cc(S(=O)(=O)Nc4ccccc4Cl)n3c2cc1OC ZINC000032611955 523019751 /nfs/dbraw/zinc/01/97/51/523019751.db2.gz NUESRLYYDHASLU-UHFFFAOYSA-N 0 0 405.863 3.248 40 0 HGABRN COCc1nn2c(ncc3c(=O)n(C(C)(C)CO)ccc32)c1-c1ccc(Cl)cc1 ZINC000040397750 523245668 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/nfs/dbraw/zinc/69/62/92/560696292.db2.gz WCEAUSOOQOUHKV-RERGGYADSA-N 0 0 404.488 3.228 40 0 HGABRN CCn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 ZINC000409215401 560696968 /nfs/dbraw/zinc/69/69/68/560696968.db2.gz XWQJMIJXBDCRGW-WOJGMQOQSA-N 0 0 406.417 3.332 40 0 HGABRN COc1cc(Cl)c(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1OC ZINC000409217232 560697515 /nfs/dbraw/zinc/69/75/15/560697515.db2.gz OECFQLUKBVNSFX-UUASQNMZSA-N 0 0 412.895 3.166 40 0 HGABRN O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)Nc1cccc(F)c1 ZINC000409229382 560698495 /nfs/dbraw/zinc/69/84/95/560698495.db2.gz OGRVBPTZCDTZLU-FRKPEAEDSA-N 0 0 400.387 3.229 40 0 HGABRN COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409229641 560698517 /nfs/dbraw/zinc/69/85/17/560698517.db2.gz SEFMMDGJWWOGBY-UHFFFAOYSA-N 0 0 400.500 3.029 40 0 HGABRN CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000409236744 560699111 /nfs/dbraw/zinc/69/91/11/560699111.db2.gz GZGRQLLTLBOUON-SJPXOZHESA-N 0 0 423.469 3.404 40 0 HGABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000409257261 560703266 /nfs/dbraw/zinc/70/32/66/560703266.db2.gz RTXDZEJCFALTPP-UHFFFAOYSA-N 0 0 424.906 3.148 40 0 HGABRN COC(=O)c1cc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)ccc1Cl ZINC000409265246 560704096 /nfs/dbraw/zinc/70/40/96/560704096.db2.gz ROBFFSLBEGVXKH-UHFFFAOYSA-N 0 0 424.906 3.148 40 0 HGABRN CN(c1ccccc1C(=O)NCCSCc1ccccc1Cl)S(C)(=O)=O ZINC000409332328 560710398 /nfs/dbraw/zinc/71/03/98/560710398.db2.gz QEDZDCPZNPATNZ-UHFFFAOYSA-N 0 0 412.964 3.399 40 0 HGABRN COc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C ZINC000409341452 560711450 /nfs/dbraw/zinc/71/14/50/560711450.db2.gz AYQLJEWJDRZMOY-CABCVRRESA-N 0 0 404.536 3.190 40 0 HGABRN Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000409351571 560713944 /nfs/dbraw/zinc/71/39/44/560713944.db2.gz VDQMFYKETOFMBI-UHFFFAOYSA-N 0 0 415.906 3.129 40 0 HGABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C3/c4ccccc4NC3=O)C2=O)c1C ZINC000409345753 560714700 /nfs/dbraw/zinc/71/47/00/560714700.db2.gz NNSLPEWUHYSSNW-ZCXUNETKSA-N 0 0 407.451 3.301 40 0 HGABRN CC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl ZINC000409358033 560715768 /nfs/dbraw/zinc/71/57/68/560715768.db2.gz JTVLNUYZMFLTBF-ZDUSSCGKSA-N 0 0 402.944 3.245 40 0 HGABRN COc1cccc([C@@H]2CC(=O)N=C3N=CNN32)c1OCc1c(F)cccc1Cl ZINC000409372088 560716891 /nfs/dbraw/zinc/71/68/91/560716891.db2.gz XZJWEPJIJCQLQA-HNNXBMFYSA-N 0 0 402.813 3.243 40 0 HGABRN CCOCCCNC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000409377740 560718168 /nfs/dbraw/zinc/71/81/68/560718168.db2.gz JNJFNBCNENTFIY-UHFFFAOYSA-N 0 0 420.531 3.026 40 0 HGABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2c(F)cccc2F)c(Cl)c1 ZINC000409378556 560718362 /nfs/dbraw/zinc/71/83/62/560718362.db2.gz QDLGSYDRKSOHLR-UHFFFAOYSA-N 0 0 418.849 3.322 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1C ZINC000409380713 560718635 /nfs/dbraw/zinc/71/86/35/560718635.db2.gz BNHUNKMEJGSRTQ-IEBWSBKVSA-N 0 0 416.543 3.282 40 0 HGABRN COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000409392221 560719077 /nfs/dbraw/zinc/71/90/77/560719077.db2.gz QFNDHUUNBPMAFQ-UHFFFAOYSA-N 0 0 417.314 3.402 40 0 HGABRN CCCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl ZINC000409390084 560720635 /nfs/dbraw/zinc/72/06/35/560720635.db2.gz JCJCSTWDLONKLH-UHFFFAOYSA-N 0 0 422.934 3.387 40 0 HGABRN CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccccc1O ZINC000409411696 560721611 /nfs/dbraw/zinc/72/16/11/560721611.db2.gz KAXPNPYWACKCLR-UHFFFAOYSA-N 0 0 412.471 3.188 40 0 HGABRN O=C(Nc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101492463 560728696 /nfs/dbraw/zinc/72/86/96/560728696.db2.gz PRCVVZZANRVHOA-GASCZTMLSA-N 0 0 407.923 3.458 40 0 HGABRN CN(CC(=O)OCC(=O)c1ccc(Br)cc1)C(=O)Oc1ccccc1 ZINC000004905712 560736564 /nfs/dbraw/zinc/73/65/64/560736564.db2.gz QRVPNCLKQBZIMW-UHFFFAOYSA-N 0 0 406.232 3.306 40 0 HGABRN Cc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1C ZINC000005934181 560739084 /nfs/dbraw/zinc/73/90/84/560739084.db2.gz XLHQAHXRWPRADI-HNNXBMFYSA-N 0 0 400.862 3.492 40 0 HGABRN CCOc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000006439890 560742267 /nfs/dbraw/zinc/74/22/67/560742267.db2.gz XZSZWDOWTUNYKZ-INIZCTEOSA-N 0 0 418.515 3.133 40 0 HGABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc4ccccc43)N2N1 ZINC000588225655 560742999 /nfs/dbraw/zinc/74/29/99/560742999.db2.gz IQZDUUXNMBNMBQ-OAQYLSRUSA-N 0 0 400.507 3.126 40 0 HGABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccccc3OCCC)N2N1 ZINC000588226280 560743159 /nfs/dbraw/zinc/74/31/59/560743159.db2.gz OXJZLLJPJFUEHQ-OAQYLSRUSA-N 0 0 422.554 3.152 40 0 HGABRN CCCCCCOc1ccccc1[C@H]1N=c2ccccc2=C2C(=O)N=C(SC)NN21 ZINC000588227067 560743336 /nfs/dbraw/zinc/74/33/36/560743336.db2.gz MCRZPUAHCKUGJB-NRFANRHFSA-N 0 0 422.554 3.152 40 0 HGABRN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1Cl ZINC000006736714 560746612 /nfs/dbraw/zinc/74/66/12/560746612.db2.gz LYDSHGONVLBJCB-UHFFFAOYSA-N 0 0 409.920 3.125 40 0 HGABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1Cl ZINC000107079028 560746691 /nfs/dbraw/zinc/74/66/91/560746691.db2.gz OSLZLXPFTSDHGI-ZDUSSCGKSA-N 0 0 404.825 3.322 40 0 HGABRN CCN(c1ccc(C(=O)N[C@H](C)COc2ccc(OC)cc2)cc1)S(=O)(=O)CC ZINC000260511937 560750967 /nfs/dbraw/zinc/75/09/67/560750967.db2.gz SZGFWAMKWOOENT-MRXNPFEDSA-N 0 0 420.531 3.069 40 0 HGABRN COc1ccc(OC)c([C@H]2N=C(Nc3ccccc3OC)Nc3nc(C)cc(=O)n32)c1 ZINC000007499373 560751389 /nfs/dbraw/zinc/75/13/89/560751389.db2.gz VZESAQOAZBIKBH-FQEVSTJZSA-N 0 0 421.457 3.018 40 0 HGABRN COc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(OC)cc1Cl ZINC000007523544 560751495 /nfs/dbraw/zinc/75/14/95/560751495.db2.gz VNUQQGAWYDVJFL-UHFFFAOYSA-N 0 0 412.895 3.070 40 0 HGABRN COC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)cc1 ZINC000007928756 560752427 /nfs/dbraw/zinc/75/24/27/560752427.db2.gz PJALQHYGUCVLJN-ZDUSSCGKSA-N 0 0 403.818 3.094 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H](C)c3ccccc3)C2)cc1 ZINC000008304039 560754009 /nfs/dbraw/zinc/75/40/09/560754009.db2.gz RBEZMXAOPGCPTK-PKOBYXMFSA-N 0 0 416.543 3.016 40 0 HGABRN CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000008810130 560756217 /nfs/dbraw/zinc/75/62/17/560756217.db2.gz QDKYVHFKXOPELY-UHFFFAOYSA-N 0 0 414.886 3.436 40 0 HGABRN O=C(Nc1ccc(S(=O)(=O)NCCCO)cc1F)c1ccc(Cl)cc1Cl ZINC000008810497 560756439 /nfs/dbraw/zinc/75/64/39/560756439.db2.gz FMYVBUVQDKPUGP-UHFFFAOYSA-N 0 0 421.277 3.046 40 0 HGABRN COc1ccc([C@H]2NC3=NCN(Cc4ccco4)CN3c3nc4ccccc4n32)cc1 ZINC000009262570 560758261 /nfs/dbraw/zinc/75/82/61/560758261.db2.gz CDNHGMAUUMWXGQ-NRFANRHFSA-N 0 0 414.469 3.381 40 0 HGABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000010444863 560769411 /nfs/dbraw/zinc/76/94/11/560769411.db2.gz NVQJDSDDFQWISH-UHFFFAOYSA-N 0 0 418.515 3.193 40 0 HGABRN C[C@@H]1CCCN(C(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)C1 ZINC000010541560 560770059 /nfs/dbraw/zinc/77/00/59/560770059.db2.gz JWXCKKGFLZDLIG-GOSISDBHSA-N 0 0 416.543 3.290 40 0 HGABRN COc1cccc(CCCNS(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000010543447 560770247 /nfs/dbraw/zinc/77/02/47/560770247.db2.gz KGPOLHICWKFSJW-UHFFFAOYSA-N 0 0 414.321 3.377 40 0 HGABRN CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)C1 ZINC000009974708 560775624 /nfs/dbraw/zinc/77/56/24/560775624.db2.gz LXWQQFZYWYGZRN-KBPBESRZSA-N 0 0 402.944 3.054 40 0 HGABRN CCc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@@H](C)C4)ncc32)no1 ZINC000012276626 560778839 /nfs/dbraw/zinc/77/88/39/560778839.db2.gz WEKXXUKUSISKSG-QWQRMKEZSA-N 0 0 413.522 3.084 40 0 HGABRN COc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1OC ZINC000012480723 560781022 /nfs/dbraw/zinc/78/10/22/560781022.db2.gz ACZMCTWABLFQHH-LJQANCHMSA-N 0 0 411.502 3.367 40 0 HGABRN CCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000113937478 560806429 /nfs/dbraw/zinc/80/64/29/560806429.db2.gz NXUDWDDEHLRYOC-UHFFFAOYSA-N 0 0 408.495 3.336 40 0 HGABRN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000013566419 560813681 /nfs/dbraw/zinc/81/36/81/560813681.db2.gz MNGXWRWXSZRAQF-HNNXBMFYSA-N 0 0 424.906 3.058 40 0 HGABRN CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2cccc3c2CCCC3)cc1 ZINC000013561705 560815929 /nfs/dbraw/zinc/81/59/29/560815929.db2.gz CIKXXJKZEOOWLQ-UHFFFAOYSA-N 0 0 422.514 3.230 40 0 HGABRN Cc1cc(C)c(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000013585818 560817061 /nfs/dbraw/zinc/81/70/61/560817061.db2.gz MRBDCSHCLHOXTQ-UHFFFAOYSA-N 0 0 404.513 3.451 40 0 HGABRN CCOc1cc(NC(=S)NC[C@@H]2CCCO2)c(OCC)cc1NC(=O)C1CC1 ZINC000013634421 560825832 /nfs/dbraw/zinc/82/58/32/560825832.db2.gz PTJZUGZWUNSMHS-AWEZNQCLSA-N 0 0 407.536 3.298 40 0 HGABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1 ZINC000014398484 560841877 /nfs/dbraw/zinc/84/18/77/560841877.db2.gz YHHHBCVFMUXACP-HNNXBMFYSA-N 0 0 417.531 3.253 40 0 HGABRN CCS(=O)(=O)N(C)c1ccc(C(=O)NCCSCc2ccccc2C)cc1 ZINC000014399534 560842125 /nfs/dbraw/zinc/84/21/25/560842125.db2.gz QVSNABIWHYIEDV-UHFFFAOYSA-N 0 0 406.573 3.444 40 0 HGABRN Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)Cc2ccc3oc(=O)oc3c2)cc1 ZINC000014404528 560845255 /nfs/dbraw/zinc/84/52/55/560845255.db2.gz TXLVJFKHCJNGGT-UHFFFAOYSA-N 0 0 406.398 3.159 40 0 HGABRN Cc1cccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000014412957 560845812 /nfs/dbraw/zinc/84/58/12/560845812.db2.gz NBLQJZZNLVQZRM-UHFFFAOYSA-N 0 0 404.532 3.122 40 0 HGABRN CN(Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O ZINC000014400689 560846026 /nfs/dbraw/zinc/84/60/26/560846026.db2.gz ISOPCCVMLYSOGI-UHFFFAOYSA-N 0 0 417.314 3.402 40 0 HGABRN Cc1nc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)ccc1Br ZINC000016249915 560859658 /nfs/dbraw/zinc/85/96/58/560859658.db2.gz OSYGNQHCFWKORP-UHFFFAOYSA-N 0 0 408.277 3.051 40 0 HGABRN Nn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1Cl ZINC000045229630 560861613 /nfs/dbraw/zinc/86/16/13/560861613.db2.gz ICWGHRATWWHUEC-UHFFFAOYSA-N 0 0 401.304 3.153 40 0 HGABRN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2Cl)CC1 ZINC000017087574 560862660 /nfs/dbraw/zinc/86/26/60/560862660.db2.gz 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CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020139350 560881118 /nfs/dbraw/zinc/88/11/18/560881118.db2.gz HLVODGRVQPQZJX-NRFANRHFSA-N 0 0 408.525 3.474 40 0 HGABRN Cc1cccc(C)c1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O ZINC000020237596 560883134 /nfs/dbraw/zinc/88/31/34/560883134.db2.gz LEWJFELFZBRMHM-UHFFFAOYSA-N 0 0 406.573 3.119 40 0 HGABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000021089982 568461276 /nfs/dbraw/zinc/46/12/76/568461276.db2.gz AZJFGPPQFBLKEO-QGZVFWFLSA-N 0 0 406.891 3.275 40 0 HGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1cc(C)cc(C)c1 ZINC000216394980 568465005 /nfs/dbraw/zinc/46/50/05/568465005.db2.gz BPQFITMNRLKCNP-UHFFFAOYSA-N 0 0 418.515 3.114 40 0 HGABRN CC(C)NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000022274329 568477667 /nfs/dbraw/zinc/47/76/67/568477667.db2.gz NHKGMLPMOFPUFQ-UHFFFAOYSA-N 0 0 411.321 3.169 40 0 HGABRN CCN(c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1)S(C)(=O)=O ZINC000218785179 568483661 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RQGKCEOCERTNTO-QFIPXVFZSA-N 0 0 416.525 3.100 40 0 HGABRN CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn(C)n2)C1 ZINC000019529074 558910597 /nfs/dbraw/zinc/91/05/97/558910597.db2.gz PIZQBDIOGUTQRP-HSZRJFAPSA-N 0 0 422.554 3.360 40 0 HGABRN COc1ccc(CN(Cc2ccnc(N3CCCC3)n2)C[C@H]2CCCO2)c(OC)c1 ZINC000019552158 558915892 /nfs/dbraw/zinc/91/58/92/558915892.db2.gz FGAYABJJFNUTME-OAQYLSRUSA-N 0 0 412.534 3.275 40 0 HGABRN CC[C@H](C(=O)N1[C@@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000071980614 558917347 /nfs/dbraw/zinc/91/73/47/558917347.db2.gz GEHIEJFHPFJMAP-FCHUYYIVSA-N 0 0 422.525 3.485 40 0 HGABRN COc1ccc(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1 ZINC000019554390 558917517 /nfs/dbraw/zinc/91/75/17/558917517.db2.gz IEZMWEBHQUDGQS-UHFFFAOYSA-N 0 0 419.510 3.436 40 0 HGABRN COc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000019556308 558918874 /nfs/dbraw/zinc/91/88/74/558918874.db2.gz FUGJBKKOCDVABN-IERDGZPVSA-N 0 0 424.497 3.429 40 0 HGABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2ccccn2)c1C ZINC000019558471 558920173 /nfs/dbraw/zinc/92/01/73/558920173.db2.gz MPAXPBQDECPXHN-GOSISDBHSA-N 0 0 406.490 3.116 40 0 HGABRN COc1ccccc1N1C[C@@H](c2cc(=O)[nH]c(NCc3cccc(F)c3)n2)CC1=O ZINC000019571109 558929906 /nfs/dbraw/zinc/92/99/06/558929906.db2.gz ADSALEXHCMHWSG-HNNXBMFYSA-N 0 0 408.433 3.050 40 0 HGABRN Cc1cc(C(=O)N2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cs1 ZINC000019571681 558930140 /nfs/dbraw/zinc/93/01/40/558930140.db2.gz MPPZZMQRSPEOML-UHFFFAOYSA-N 0 0 408.531 3.389 40 0 HGABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)c2ccncc2)CCNC1=O ZINC000019571819 558930246 /nfs/dbraw/zinc/93/02/46/558930246.db2.gz UHPDISVZQZZVAL-HXUWFJFHSA-N 0 0 415.493 3.188 40 0 HGABRN Cc1c2ccccc2oc1C(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 ZINC000072325716 558933434 /nfs/dbraw/zinc/93/34/34/558933434.db2.gz XSIGZSRYCPQGNG-UHFFFAOYSA-N 0 0 411.483 3.078 40 0 HGABRN CCn1ccnc1CN1CCN(CC)C(=O)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1 ZINC000019578107 558933739 /nfs/dbraw/zinc/93/37/39/558933739.db2.gz ROAFKSZKEOGHOP-QHCPKHFHSA-N 0 0 417.557 3.488 40 0 HGABRN Cc1ccc2c(c1)C(=O)C[C@@]1(CCC(=O)N([C@@H](C)C(=O)Nc3nccs3)CC1)O2 ZINC000072328044 558934313 /nfs/dbraw/zinc/93/43/13/558934313.db2.gz RZTDMDQTBPZNMN-QKKBWIMNSA-N 0 0 413.499 3.195 40 0 HGABRN CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)c2ccncc2)C1 ZINC000019579402 558935147 /nfs/dbraw/zinc/93/51/47/558935147.db2.gz YJKDXLKPTFVMNH-DEOSSOPVSA-N 0 0 418.497 3.290 40 0 HGABRN CCCNC(=O)CN1N=C(c2ccc(OC)cc2)Cn2c(cc3ccccc32)C1=O ZINC000072334571 558935669 /nfs/dbraw/zinc/93/56/69/558935669.db2.gz FSYOHOCDBWSJKN-UHFFFAOYSA-N 0 0 404.470 3.036 40 0 HGABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)C2CC2)CCO1 ZINC000019580538 558936283 /nfs/dbraw/zinc/93/62/83/558936283.db2.gz XDRCNVQWHWFYFV-XMMPIXPASA-N 0 0 410.489 3.131 40 0 HGABRN Cc1ccnc(-n2cccc2CN2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)c1 ZINC000072335651 558936962 /nfs/dbraw/zinc/93/69/62/558936962.db2.gz LSSFIWVKDOSUGS-UHFFFAOYSA-N 0 0 418.545 3.059 40 0 HGABRN Cc1c(-c2csc(NC(=O)CCCN3C(=O)CCC3=O)n2)c2ccccc2n1C ZINC000019581842 558937150 /nfs/dbraw/zinc/93/71/50/558937150.db2.gz VNUQVMBOLGHDEF-UHFFFAOYSA-N 0 0 410.499 3.478 40 0 HGABRN O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000072336789 558937429 /nfs/dbraw/zinc/93/74/29/558937429.db2.gz BNRWZLFLTTXCSR-UHFFFAOYSA-N 0 0 402.376 3.289 40 0 HGABRN Cc1occc1-c1nc(N2CCN(C(=O)c3ccco3)CC2)ncc1-c1cnccn1 ZINC000019583043 558937527 /nfs/dbraw/zinc/93/75/27/558937527.db2.gz KQQLAFCUJSDBKS-UHFFFAOYSA-N 0 0 416.441 3.057 40 0 HGABRN CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000019585284 558938989 /nfs/dbraw/zinc/93/89/89/558938989.db2.gz MYDKHMTWKYATCC-HXUWFJFHSA-N 0 0 403.486 3.347 40 0 HGABRN Cc1noc2c1C1=NCCN1C(=O)N2CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000072342293 558940206 /nfs/dbraw/zinc/94/02/06/558940206.db2.gz HUCQJIQWDDJZLQ-UHFFFAOYSA-N 0 0 413.522 3.479 40 0 HGABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc[nH]n2)C1 ZINC000019591173 558941328 /nfs/dbraw/zinc/94/13/28/558941328.db2.gz VKXCGZMSYJQFFA-QFIPXVFZSA-N 0 0 408.527 3.349 40 0 HGABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCn2cccn2)C1 ZINC000019591454 558942023 /nfs/dbraw/zinc/94/20/23/558942023.db2.gz BRAPAVNGPMZALE-RUZDIDTESA-N 0 0 416.525 3.148 40 0 HGABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2cccnc2)CCO1 ZINC000019591881 558942656 /nfs/dbraw/zinc/94/26/56/558942656.db2.gz OPRYLZOGUOAYET-QHCPKHFHSA-N 0 0 421.522 3.010 40 0 HGABRN COCC(=O)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019592722 558943682 /nfs/dbraw/zinc/94/36/82/558943682.db2.gz RDCYZCCHIHBKNF-LLVKDONJSA-N 0 0 410.421 3.439 40 0 HGABRN NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 ZINC000072349385 558946199 /nfs/dbraw/zinc/94/61/99/558946199.db2.gz HXIDRWYKYFWTRZ-HXUWFJFHSA-N 0 0 400.482 3.191 40 0 HGABRN Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 ZINC000072350069 558947122 /nfs/dbraw/zinc/94/71/22/558947122.db2.gz PGDILIBUTWFMRF-UHFFFAOYSA-N 0 0 402.498 3.094 40 0 HGABRN Cc1nc(NCc2ccc(CO)cc2)cc([C@H](C)n2ncc3ccccc3c2=O)n1 ZINC000019655479 558948859 /nfs/dbraw/zinc/94/88/59/558948859.db2.gz SSMORXPEXGOMKX-HNNXBMFYSA-N 0 0 401.470 3.209 40 0 HGABRN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CCC4)cc2)n1 ZINC000019656085 558949277 /nfs/dbraw/zinc/94/92/77/558949277.db2.gz PJEVPBFRFHWGPK-UHFFFAOYSA-N 0 0 424.526 3.454 40 0 HGABRN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353309 558950103 /nfs/dbraw/zinc/95/01/03/558950103.db2.gz MBKKJYKFKXEEIO-QGZVFWFLSA-N 0 0 403.552 3.295 40 0 HGABRN Cc1ccc(C2(C(=O)Nc3cccc(OCCN4CCOCC4)c3)CCOCC2)cc1 ZINC000019658183 558950165 /nfs/dbraw/zinc/95/01/65/558950165.db2.gz WOKTYWNGUNGZRN-UHFFFAOYSA-N 0 0 424.541 3.393 40 0 HGABRN Cc1nnnn1-c1cc(C(=O)Nc2nnc(CCc3ccccc3)s2)ccc1C ZINC000019658175 558950182 /nfs/dbraw/zinc/95/01/82/558950182.db2.gz QHLPPGSPEOFAFA-UHFFFAOYSA-N 0 0 405.487 3.168 40 0 HGABRN CC(C)(C)N1C[C@H](C(=O)Nc2nnc(CCOc3ccc(Cl)cc3)s2)CC1=O ZINC000019659732 558951088 /nfs/dbraw/zinc/95/10/88/558951088.db2.gz KYLRVJDKURGNKT-GFCCVEGCSA-N 0 0 422.938 3.399 40 0 HGABRN COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)[nH]n2)cc1 ZINC000019660061 558951303 /nfs/dbraw/zinc/95/13/03/558951303.db2.gz WVZXIXTWMLIMSB-UHFFFAOYSA-N 0 0 406.486 3.194 40 0 HGABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 ZINC000072354124 558951470 /nfs/dbraw/zinc/95/14/70/558951470.db2.gz CMLYLBLEARGVED-HXUWFJFHSA-N 0 0 402.498 3.094 40 0 HGABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2c(C)nc3c(C)cccn32)cc1 ZINC000019660901 558952026 /nfs/dbraw/zinc/95/20/26/558952026.db2.gz OJISQMSTWYDFLJ-OAQYLSRUSA-N 0 0 401.470 3.471 40 0 HGABRN O=C(c1sc2ccccc2c1[C@H]1CN(Cc2cccnc2)CCO1)N1CCOCC1 ZINC000072354987 558952363 /nfs/dbraw/zinc/95/23/63/558952363.db2.gz WGZXHIPBMPMERX-LJQANCHMSA-N 0 0 423.538 3.342 40 0 HGABRN Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(=O)[nH]n4)C3)c2)c1 ZINC000072356164 558952995 /nfs/dbraw/zinc/95/29/95/558952995.db2.gz QTOMNJCJZIIZJX-FQEVSTJZSA-N 0 0 402.498 3.392 40 0 HGABRN CN1CCN(c2cc(C(=O)Nc3ccccc3OCc3ccccn3)ccn2)CC1 ZINC000019662563 558953449 /nfs/dbraw/zinc/95/34/49/558953449.db2.gz OWIOFCGOHRJBQY-UHFFFAOYSA-N 0 0 403.486 3.060 40 0 HGABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 ZINC000019662750 558953765 /nfs/dbraw/zinc/95/37/65/558953765.db2.gz KZKQKXSNOJQDFE-NRFANRHFSA-N 0 0 416.485 3.105 40 0 HGABRN Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)c1 ZINC000072358247 558953922 /nfs/dbraw/zinc/95/39/22/558953922.db2.gz WXIMKIFBBQZUFX-IBGZPJMESA-N 0 0 400.479 3.071 40 0 HGABRN Cc1cc2[nH]c(C(=O)N3CCc4nc(N5CCC[C@@H](C)C5)[nH]c(=O)c4C3)cc2c(C)c1 ZINC000019663409 558954242 /nfs/dbraw/zinc/95/42/42/558954242.db2.gz JQDDMPZUYHZVGU-CQSZACIVSA-N 0 0 419.529 3.303 40 0 HGABRN O=S(=O)(c1cn[nH]c1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359862 558955587 /nfs/dbraw/zinc/95/55/87/558955587.db2.gz NXLHXMHNZXFWLT-CQSZACIVSA-N 0 0 403.895 3.088 40 0 HGABRN Nc1ncc(-c2ccc([C@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 ZINC000019688571 558958155 /nfs/dbraw/zinc/95/81/55/558958155.db2.gz QVIKXGAKWSUYIN-INIZCTEOSA-N 0 0 406.465 3.078 40 0 HGABRN Cc1noc(CCC(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)n1 ZINC000019689965 558959446 /nfs/dbraw/zinc/95/94/46/558959446.db2.gz WJAQGXNHSUCLBI-GOSISDBHSA-N 0 0 424.480 3.336 40 0 HGABRN CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(Cc1ccc(C)cc1OC)CC2 ZINC000072372384 558959676 /nfs/dbraw/zinc/95/96/76/558959676.db2.gz UZMZZCJPSJTENT-FQEVSTJZSA-N 0 0 409.534 3.077 40 0 HGABRN Cc1cccnc1Nc1ccc(C2CCN(CC(=O)NCc3ccccn3)CC2)nc1 ZINC000072374231 558961675 /nfs/dbraw/zinc/96/16/75/558961675.db2.gz YXLPYXHHZNXVGA-UHFFFAOYSA-N 0 0 416.529 3.419 40 0 HGABRN Cc1cnc(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cn1 ZINC000019694050 558962102 /nfs/dbraw/zinc/96/21/02/558962102.db2.gz SVWHFZBKYHFAGI-INIZCTEOSA-N 0 0 420.492 3.467 40 0 HGABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694065 558962293 /nfs/dbraw/zinc/96/22/93/558962293.db2.gz DIFVXCBYWMSZQJ-QGZVFWFLSA-N 0 0 422.508 3.410 40 0 HGABRN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000072374645 558962440 /nfs/dbraw/zinc/96/24/40/558962440.db2.gz ZYSLAJOFWGUCIS-GOSISDBHSA-N 0 0 416.481 3.435 40 0 HGABRN CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)c3ccc(N)nc3)C2)n1 ZINC000019694261 558962481 /nfs/dbraw/zinc/96/24/81/558962481.db2.gz IXPQYAVFYXPMFC-MRXNPFEDSA-N 0 0 420.492 3.346 40 0 HGABRN Cc1nonc1CC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694309 558962697 /nfs/dbraw/zinc/96/26/97/558962697.db2.gz WBBKMXGALBTLJT-IBGZPJMESA-N 0 0 424.480 3.336 40 0 HGABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccc(Br)cc1 ZINC000096519819 558963612 /nfs/dbraw/zinc/96/36/12/558963612.db2.gz GFXQIBCSXKGWKL-NXEZZACHSA-N 0 0 406.523 3.205 40 0 HGABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000072376644 558965864 /nfs/dbraw/zinc/96/58/64/558965864.db2.gz MVHDAUDIAYIEKQ-QGZVFWFLSA-N 0 0 423.970 3.196 40 0 HGABRN COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)CCC3)C1 ZINC000019706611 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