smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000875503 193939211 /nfs/dbraw/zinc/93/92/11/193939211.db2.gz LACWEBDXEBNHMS-UHFFFAOYSA-N 0 0 464.635 3.985 40 0 JHABRN COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000000880184 193943345 /nfs/dbraw/zinc/94/33/45/193943345.db2.gz RTYFPTVJONQFJG-OAQYLSRUSA-N 0 0 455.555 3.732 40 0 JHABRN Cc1cccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C[C@@H]2CCCO2)c1 ZINC000000891276 193951916 /nfs/dbraw/zinc/95/19/16/193951916.db2.gz CYAMIDHGERQQOX-FQEVSTJZSA-N 0 0 465.575 3.986 40 0 JHABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)cc1 ZINC000000902709 193957902 /nfs/dbraw/zinc/95/79/02/193957902.db2.gz KLCLCBAROQADIU-UHFFFAOYSA-N 0 0 472.592 3.950 40 0 JHABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCc2ccccc21)OCCO3 ZINC000000913453 193963089 /nfs/dbraw/zinc/96/30/89/193963089.db2.gz RJALNHOUXLUCFD-XMMPIXPASA-N 0 0 470.533 3.553 40 0 JHABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2CC)cc1 ZINC000000920663 193971754 /nfs/dbraw/zinc/97/17/54/193971754.db2.gz NQTRDWUHGFPYED-XLIONFOSSA-N 0 0 493.699 3.783 40 0 JHABRN CC(C)n1c(SCC(=O)N2c3ccccc3CCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C ZINC000000932555 193984010 /nfs/dbraw/zinc/98/40/10/193984010.db2.gz KUZKGCITPXAQEY-UHFFFAOYSA-N 0 0 489.601 3.570 40 0 JHABRN COc1ccc(CCNC(=O)CSc2nnc(COc3cccc4cccnc43)o2)cc1OC ZINC000001223331 194075363 /nfs/dbraw/zinc/07/53/63/194075363.db2.gz CVAXVKDZKZRFAM-UHFFFAOYSA-N 0 0 480.546 3.665 40 0 JHABRN COc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc(OCc4ccccc4)cc2)c3=O)cc1 ZINC000001330836 194089236 /nfs/dbraw/zinc/08/92/36/194089236.db2.gz RPLZYRUJGPGRLT-UHFFFAOYSA-N 0 0 481.512 3.809 40 0 JHABRN CC(C)CC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[nH]2)CC1 ZINC000001325006 194086242 /nfs/dbraw/zinc/08/62/42/194086242.db2.gz XLAHQWUGNPCGJI-UHFFFAOYSA-N 0 0 463.369 3.622 40 0 JHABRN CCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OCC)cc1-n1cnnn1 ZINC000001325321 194086573 /nfs/dbraw/zinc/08/65/73/194086573.db2.gz UTOWJQUGCQYGKS-UHFFFAOYSA-N 0 0 493.589 3.851 40 0 JHABRN CCC(C)(C)n1nnnc1CN(Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001326937 194087380 /nfs/dbraw/zinc/08/73/80/194087380.db2.gz OKJCCJQRXHJLKF-UHFFFAOYSA-N 0 0 478.528 3.730 40 0 JHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccco1 ZINC000001339248 194096058 /nfs/dbraw/zinc/09/60/58/194096058.db2.gz CUHJXWIYEQVKCY-VWLOTQADSA-N 0 0 487.491 3.843 40 0 JHABRN Cc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccco2)c2cccnc2)c1 ZINC000001339477 194096504 /nfs/dbraw/zinc/09/65/04/194096504.db2.gz ZTZAASRKSLMSLL-AREMUKBSSA-N 0 0 480.528 3.819 40 0 JHABRN O=C(C1CCCCC1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)CC1 ZINC000001352160 194099801 /nfs/dbraw/zinc/09/98/01/194099801.db2.gz VJLGYEDCVLXDGU-UHFFFAOYSA-N 0 0 454.962 3.503 40 0 JHABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375455 194110130 /nfs/dbraw/zinc/11/01/30/194110130.db2.gz MHQCHZNRBCZRDV-QHCPKHFHSA-N 0 0 488.592 3.848 40 0 JHABRN Cc1ccc2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)C[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000001372923 194106585 /nfs/dbraw/zinc/10/65/85/194106585.db2.gz YHNLJSCAGLZDGN-HSZRJFAPSA-N 0 0 476.556 3.500 40 0 JHABRN COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)Cc3ccc(C)cc3)cc2c1 ZINC000001373477 194107475 /nfs/dbraw/zinc/10/74/75/194107475.db2.gz MRDLCBBSBLVIMR-UHFFFAOYSA-N 0 0 470.533 3.675 40 0 JHABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCCC1)Cc1ccccc1)OCCO3 ZINC000001373780 194107563 /nfs/dbraw/zinc/10/75/63/194107563.db2.gz NPBHSQHYWKGBHP-UHFFFAOYSA-N 0 0 486.576 3.993 40 0 JHABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000001363733 194102693 /nfs/dbraw/zinc/10/26/93/194102693.db2.gz YRJBHGVXHKISQQ-MRXNPFEDSA-N 0 0 460.943 3.917 40 0 JHABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@H](C(=O)NCc1ccco1)c1ccncc1 ZINC000001376195 194110669 /nfs/dbraw/zinc/11/06/69/194110669.db2.gz APQNZRQSTOTPLV-VWLOTQADSA-N 0 0 484.491 3.649 40 0 JHABRN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1F ZINC000001376226 194110784 /nfs/dbraw/zinc/11/07/84/194110784.db2.gz FUASMFGPLPZMKN-AREMUKBSSA-N 0 0 498.518 3.645 40 0 JHABRN CCc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)cc1 ZINC000001376318 194111191 /nfs/dbraw/zinc/11/11/91/194111191.db2.gz DTKRKJIBJZFLGA-RUZDIDTESA-N 0 0 457.534 3.635 40 0 JHABRN O=C(Cn1nnc2ccccc21)N(Cc1cccnc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000001376361 194111404 /nfs/dbraw/zinc/11/14/04/194111404.db2.gz YNBBZRPLNBKKKQ-SANMLTNESA-N 0 0 480.528 3.506 40 0 JHABRN O=C(NC1CCCC1)[C@@]1(/C=C/c2ccccc2)CC(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001378814 194112694 /nfs/dbraw/zinc/11/26/94/194112694.db2.gz SERWFGDHQLZNLB-NUKGXUILSA-N 0 0 493.629 3.719 40 0 aggregator JHABRN CC(=O)c1ccc(S(=O)(=O)N2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000001380539 194112820 /nfs/dbraw/zinc/11/28/20/194112820.db2.gz WPDXVTPLEHHORT-UHFFFAOYSA-N 0 0 452.458 3.679 40 0 JHABRN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000001380364 194112833 /nfs/dbraw/zinc/11/28/33/194112833.db2.gz HRVJDGBVFQGLAE-UHFFFAOYSA-N 0 0 499.497 3.964 40 0 JHABRN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000001501549 194126055 /nfs/dbraw/zinc/12/60/55/194126055.db2.gz ZLVPFHQJLPPWOW-UHFFFAOYSA-N 0 0 478.979 3.901 40 0 JHABRN CN(C)S(=O)(=O)c1ccc(CCCCCCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000001868308 194151170 /nfs/dbraw/zinc/15/11/70/194151170.db2.gz MYWUZGGVQLDWGC-UHFFFAOYSA-N 0 0 452.642 3.533 40 0 JHABRN COc1cc(SC)ccc1C(=O)N[C@H]1CCN2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2C1 ZINC000003840387 194362978 /nfs/dbraw/zinc/36/29/78/194362978.db2.gz HHUJMJZGSHTBQE-SGTLLEGYSA-N 0 0 477.945 3.939 40 0 biogenic,in-vitro JHABRN CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2cc3c(cc2Br)OCO3)NC(=O)N1 ZINC000004065339 194374289 /nfs/dbraw/zinc/37/42/89/194374289.db2.gz UXTDAXHFIINMMW-KWFDTGPKSA-N 0 0 451.317 3.928 40 0 JHABRN COc1ccccc1NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccccc2)C1 ZINC000004236429 194385728 /nfs/dbraw/zinc/38/57/28/194385728.db2.gz VEFBVXRBIWGTHM-PKOBYXMFSA-N 0 0 458.518 3.760 40 0 biogenic,in-vitro JHABRN O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1)c1cccs1 ZINC000004259084 194386174 /nfs/dbraw/zinc/38/61/74/194386174.db2.gz DNXXPRKXPLAXQG-LSDHHAIUSA-N 0 0 452.511 3.952 40 0 biogenic,in-vitro JHABRN O=C(Nc1cccc2ccccc21)O[C@@H]1CO[C@@H]2[C@@H](n3nnnc3SCc3ccco3)CO[C@H]12 ZINC000004259318 194386544 /nfs/dbraw/zinc/38/65/44/194386544.db2.gz ZWNDTABHZQBYDK-DOIPELPJSA-N 0 0 479.518 3.668 40 0 biogenic,in-vitro JHABRN CC[C@@H](C)N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1cccc(OC)c1 ZINC000004355496 194388360 /nfs/dbraw/zinc/38/83/60/194388360.db2.gz LEVHQIFTKUIVEY-CJAUYULYSA-N 0 0 475.549 3.718 40 0 JHABRN O=C(CNC(=O)c1cccs1)N(Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000004374773 194388588 /nfs/dbraw/zinc/38/85/88/194388588.db2.gz YWRZHDCDWVAZEM-OAQYLSRUSA-N 0 0 471.604 3.961 40 0 JHABRN CC(=O)Nc1ccc([S@](=NS(=O)(=O)c2ccccc2)c2ccc(NC(C)=O)cn2)cc1 ZINC000004628050 194392868 /nfs/dbraw/zinc/39/28/68/194392868.db2.gz YTEVDHFDRSYUIB-SSEXGKCCSA-N 0 0 456.549 3.607 40 0 JHABRN COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3CCCCO3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000004758772 194395016 /nfs/dbraw/zinc/39/50/16/194395016.db2.gz SWHRJVKQGVUYGL-AXCOVFSZSA-N 0 0 498.528 3.960 40 0 JHABRN COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)N2CCCCC2)cc1 ZINC000006442382 194426223 /nfs/dbraw/zinc/42/62/23/194426223.db2.gz OBRVVTOWJOBVLC-DEOSSOPVSA-N 0 0 458.566 3.764 40 0 JHABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCCc2ccccc21)OCO3 ZINC000008582497 194454920 /nfs/dbraw/zinc/45/49/20/194454920.db2.gz WAOIZIWIJZDWOZ-SANMLTNESA-N 0 0 492.539 3.834 40 0 aggregator JHABRN O=C(Nc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810604 194481561 /nfs/dbraw/zinc/48/15/61/194481561.db2.gz MLYOJROKBFDHMW-UHFFFAOYSA-N 0 0 471.341 3.950 40 0 JHABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 ZINC000008831537 194483783 /nfs/dbraw/zinc/48/37/83/194483783.db2.gz XFVRENAPWDSAKG-DHZHZOJOSA-N 0 0 450.549 3.696 40 0 JHABRN COc1ccc(Cl)cc1C(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000008832710 194487016 /nfs/dbraw/zinc/48/70/16/194487016.db2.gz OMVULQWLYWAIFM-UHFFFAOYSA-N 0 0 479.858 3.881 40 0 JHABRN Cc1ccc([C@@H](C(=O)NC(C)C)N(Cc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008994831 194499606 /nfs/dbraw/zinc/49/96/06/194499606.db2.gz AZGPWNUQWWVVQZ-VWLOTQADSA-N 0 0 462.550 3.996 40 0 JHABRN COc1ccc(C(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(C3CCCCC3)c2=O)cc1OC ZINC000009938685 195028518 /nfs/dbraw/zinc/02/85/18/195028518.db2.gz VOOUTSAAVMBHNU-UHFFFAOYSA-N 0 0 482.533 3.586 40 0 JHABRN Cc1ccc(NC(=O)Cn2c3ccc(Br)cc3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000009938723 195028745 /nfs/dbraw/zinc/02/87/45/195028745.db2.gz BWXHMUTXXIKJLK-UHFFFAOYSA-N 0 0 464.319 3.862 40 0 JHABRN Cc1cc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)n2)no1 ZINC000012638794 195069117 /nfs/dbraw/zinc/06/91/17/195069117.db2.gz JFLDYZOHWQHMHC-UHFFFAOYSA-N 0 0 459.510 3.825 40 0 JHABRN Cc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)C(=O)NC2CCCC2)c2cccnc2)o1 ZINC000012641046 195070723 /nfs/dbraw/zinc/07/07/23/195070723.db2.gz GMUSUBVEZMKZHX-QHCPKHFHSA-N 0 0 478.524 3.572 40 0 JHABRN COc1cccc(C(=O)NC2CCN(CC(=O)Nc3ccc(C)cc3Br)CC2)c1 ZINC000012644432 195073245 /nfs/dbraw/zinc/07/32/45/195073245.db2.gz JCDSJZQNUKBISP-UHFFFAOYSA-N 0 0 460.372 3.599 40 0 JHABRN COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2C)cc1 ZINC000012708374 195093536 /nfs/dbraw/zinc/09/35/36/195093536.db2.gz YAEURSVHHRMHSN-QGZVFWFLSA-N 0 0 481.622 3.919 40 0 JHABRN COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CCC[C@@H](C)C2)cc1 ZINC000012711132 195095355 /nfs/dbraw/zinc/09/53/55/195095355.db2.gz AHFDJYBTLHQISK-KOSHJBKYSA-N 0 0 458.566 3.701 40 0 JHABRN CCC(=O)Nc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000012712002 195095516 /nfs/dbraw/zinc/09/55/16/195095516.db2.gz PVCOIOYSFDLCCH-UHFFFAOYSA-N 0 0 465.583 3.732 40 0 JHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(F)F)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000020609345 195182531 /nfs/dbraw/zinc/18/25/31/195182531.db2.gz WUAJWEFXSPNBSR-VOMPUTFMSA-N 0 0 488.487 3.539 40 0 JHABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(Br)c1 ZINC000020802214 195227425 /nfs/dbraw/zinc/22/74/25/195227425.db2.gz WOGGMRDYKILZTQ-RBUKOAKNSA-N 0 0 472.339 3.561 40 0 JHABRN COc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021192534 195291118 /nfs/dbraw/zinc/29/11/18/195291118.db2.gz HUXXRQFPLQKCAD-UHFFFAOYSA-N 0 0 495.601 3.674 40 0 JHABRN Cc1ccc(CN(Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000057642979 195356639 /nfs/dbraw/zinc/35/66/39/195356639.db2.gz JCRQNWSFONXNQC-HSZRJFAPSA-N 0 0 458.566 3.513 40 0 JHABRN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(C(=O)Nc3nccs3)n2)cc1C 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Cc1ccccc1[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 ZINC000020486604 525368230 /nfs/dbraw/zinc/36/82/30/525368230.db2.gz PISPTKBVVHRAHT-DEOSSOPVSA-N 0 0 455.555 3.653 40 0 JHABRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(C)c4)c(=O)n32)cc1 ZINC000022570396 525384603 /nfs/dbraw/zinc/38/46/03/525384603.db2.gz ZOOHGFIUQOKACB-YJADQXIJSA-N 0 0 462.571 3.504 40 0 JHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2c(Cl)cccc2Cl)cc1 ZINC000022707433 525504517 /nfs/dbraw/zinc/50/45/17/525504517.db2.gz QWZAJYVOBKSYTB-INIZCTEOSA-N 0 0 471.406 3.788 40 0 JHABRN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014104139 525530977 /nfs/dbraw/zinc/53/09/77/525530977.db2.gz QCKNBPIBMJGQEZ-NVXWUHKLSA-N 0 0 463.397 3.828 40 0 JHABRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)N4CCCCC4)n3C)cc2)cc1 ZINC000006088896 525594770 /nfs/dbraw/zinc/59/47/70/525594770.db2.gz QPSMZXWUCAGJOA-UHFFFAOYSA-N 0 0 485.635 3.696 40 0 JHABRN 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555575533 /nfs/dbraw/zinc/57/55/33/555575533.db2.gz NNJGEKSFGWIECB-UHFFFAOYSA-N 0 0 496.589 3.694 40 0 JHABRN Cc1cccc(NC(SCC(=O)Nc2ccc(Cl)cc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000009973887 555575808 /nfs/dbraw/zinc/57/58/08/555575808.db2.gz QMGMDDHRIMPADB-UHFFFAOYSA-N 0 0 472.954 3.694 40 0 JHABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 ZINC000020004667 555578342 /nfs/dbraw/zinc/57/83/42/555578342.db2.gz CWQAKUTWPMUQBE-OAQYLSRUSA-N 0 0 466.559 3.869 40 0 JHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(Br)c3)C2)cc1C ZINC000009974378 555578689 /nfs/dbraw/zinc/57/86/89/555578689.db2.gz ZIZUBSSAHOOIMQ-HNNXBMFYSA-N 0 0 467.385 3.806 40 0 JHABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000013685121 555578785 /nfs/dbraw/zinc/57/87/85/555578785.db2.gz XVLFFFRUSDOBBJ-IBGZPJMESA-N 0 0 465.575 3.745 40 0 JHABRN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)cc1 ZINC000009974428 555578894 /nfs/dbraw/zinc/57/88/94/555578894.db2.gz 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Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(N)=O)c2cccc(Cl)c2)cc1 ZINC000409025471 570104234 /nfs/dbraw/zinc/10/42/34/570104234.db2.gz RPCHYAOGCMWHLQ-UHFFFAOYSA-N 0 0 457.939 3.581 40 0 JHABRN CS(=O)(=O)N(CC(=O)NCCSCc1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000409028468 570105289 /nfs/dbraw/zinc/10/52/89/570105289.db2.gz NGNKBBIMVNXMBZ-UHFFFAOYSA-N 0 0 465.399 3.948 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2ccccc2OC)cc1 ZINC000409028708 570105299 /nfs/dbraw/zinc/10/52/99/570105299.db2.gz QRCATJHBGVMLOW-UHFFFAOYSA-N 0 0 454.548 3.558 40 0 JHABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(N)=O)S(=O)(=O)c1ccccc1 ZINC000409028970 570105400 /nfs/dbraw/zinc/10/54/00/570105400.db2.gz VUQRZEZAAIMVNE-UHFFFAOYSA-N 0 0 457.939 3.581 40 0 JHABRN CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3cn(CC)c4ccccc34)sc2=N1 ZINC000409029386 570105508 /nfs/dbraw/zinc/10/55/08/570105508.db2.gz AIGDIOKXZOEWLE-NLZIUFDSSA-N 0 0 471.582 3.773 40 0 JHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccncc3)sc2=N1 ZINC000409038076 570106882 /nfs/dbraw/zinc/10/68/82/570106882.db2.gz OKLJFAJAKPHGKE-IMEWXKHHSA-N 0 0 498.004 3.636 40 0 JHABRN C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000257202507 570108521 /nfs/dbraw/zinc/10/85/21/570108521.db2.gz AMDSODQNKWXABH-WOLFRULKSA-N 0 0 489.012 3.728 40 0 JHABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(C)c(Br)c3)sc2=N1 ZINC000409049307 570109483 /nfs/dbraw/zinc/10/94/83/570109483.db2.gz QGBCMYLKAJJNBL-UBXANZILSA-N 0 0 497.414 3.869 40 0 JHABRN COc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc(C)c3)C(C)C)n2C)c1 ZINC000409051554 570110082 /nfs/dbraw/zinc/11/00/82/570110082.db2.gz DBERYMHWUUWWNW-OAQYLSRUSA-N 0 0 467.595 3.990 40 0 JHABRN Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 ZINC000257207442 570110140 /nfs/dbraw/zinc/11/01/40/570110140.db2.gz BHTDSULGYXVMGS-IGKIAQTJSA-N 0 0 488.632 3.924 40 0 JHABRN Cn1c2ccccc2n(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1=O ZINC000257209223 570110698 /nfs/dbraw/zinc/11/06/98/570110698.db2.gz BPMJHFULPAJOPH-NRFANRHFSA-N 0 0 450.926 3.936 40 0 JHABRN COc1ccc([C@H]2CN(C(=O)c3cccnc3Nc3cccc(OC)c3)CCN2C(C)=O)cc1 ZINC000257215844 570112808 /nfs/dbraw/zinc/11/28/08/570112808.db2.gz CRXFINWKZFKAFK-XMMPIXPASA-N 0 0 460.534 3.888 40 0 JHABRN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)N(CC(=O)OC)C2=S)cc1 ZINC000409058935 570113141 /nfs/dbraw/zinc/11/31/41/570113141.db2.gz PKUICKRGLXAMLI-YVLHZVERSA-N 0 0 460.939 3.764 40 0 JHABRN CC1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccccc4OCC(=O)[O-])C[C@H]3C[C@H]21 ZINC000257218403 570113576 /nfs/dbraw/zinc/11/35/76/570113576.db2.gz DDACXGLGGPCSDU-KJFBJOSPSA-N 0 0 453.535 3.995 40 0 JHABRN CC[C@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409060571 570113983 /nfs/dbraw/zinc/11/39/83/570113983.db2.gz URWGDGGTVDWGNC-INIZCTEOSA-N 0 0 453.402 3.863 40 0 JHABRN COCc1cccc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@H](CC(=O)N3CCOCC3)C2)c1 ZINC000257219689 570114032 /nfs/dbraw/zinc/11/40/32/570114032.db2.gz DHSJIEWEOLOZGX-URXFXBBRSA-N 0 0 486.996 3.645 40 0 JHABRN CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257221197 570114465 /nfs/dbraw/zinc/11/44/65/570114465.db2.gz DNXZKDSNWOAOPM-AREMUKBSSA-N 0 0 489.538 3.569 40 0 JHABRN C[C@]1(O)CCN(C(=O)OCc2ccccc2)C[C@@H]1n1cnc2c1ncnc2NCc1ccccc1F ZINC000257222175 570114767 /nfs/dbraw/zinc/11/47/67/570114767.db2.gz DSFVPTQQLSHLHY-LVXARBLLSA-N 0 0 490.539 3.912 40 0 JHABRN COc1ccc([C@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C(C)=O)CC3)CCN2C)cc1 ZINC000257224918 570115527 /nfs/dbraw/zinc/11/55/27/570115527.db2.gz FDYJTISERUBCKL-RUZDIDTESA-N 0 0 467.585 3.521 40 0 JHABRN COc1ccccc1[C@@H]1CN(C(=O)C2(Cc3ccc(F)cc3)CCOCC2)CCN1C(C)=O ZINC000257226111 570116052 /nfs/dbraw/zinc/11/60/52/570116052.db2.gz FJEOEUDPGUUIPJ-QHCPKHFHSA-N 0 0 454.542 3.606 40 0 JHABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)Nc2ccc(C)cc2)C1=O ZINC000409066141 570116488 /nfs/dbraw/zinc/11/64/88/570116488.db2.gz KBQUZLGKFFFVNB-IYSPOMMRSA-N 0 0 484.530 3.619 40 0 JHABRN CC(C(=O)N1CCO[C@H](C(=O)Nc2ccc3nccnc3c2)C1)(c1ccccc1)c1ccccc1 ZINC000257228819 570116701 /nfs/dbraw/zinc/11/67/01/570116701.db2.gz FVJRPELFAYVSGO-VWLOTQADSA-N 0 0 466.541 3.802 40 0 JHABRN CC(C)(NC(=O)Cc1ccccc1F)C(=O)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 ZINC000257229763 570116966 /nfs/dbraw/zinc/11/69/66/570116966.db2.gz FZKMCFVVMOQHCU-FQEVSTJZSA-N 0 0 463.553 3.529 40 0 JHABRN C[C@]1(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)CC(c2ccccc2Cl)=NO1 ZINC000257233937 570118203 /nfs/dbraw/zinc/11/82/03/570118203.db2.gz GRLDVCMQYVHDME-MZNJEOGPSA-N 0 0 452.942 3.589 40 0 JHABRN CCCn1cc(Cl)c(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)n1 ZINC000257234105 570118271 /nfs/dbraw/zinc/11/82/71/570118271.db2.gz GSDGGPZVLMBHNK-UHFFFAOYSA-N 0 0 453.370 3.777 40 0 JHABRN Cc1ccc(C(=O)N2CCOC[C@H](Cc3nccn4cccc34)C2)cc1NCc1ccccn1 ZINC000257235647 570118872 /nfs/dbraw/zinc/11/88/72/570118872.db2.gz GYTJAVAHKJOFRJ-OAQYLSRUSA-N 0 0 455.562 3.981 40 0 JHABRN CC(C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000409073762 570119243 /nfs/dbraw/zinc/11/92/43/570119243.db2.gz SYOWRWXFMWKDJK-UHFFFAOYSA-N 0 0 459.793 3.818 40 0 JHABRN COc1cc(C(=O)N2CCOC[C@H](Cc3ccc4cc[nH]c4n3)C2)ccc1OCc1ccccn1 ZINC000257237910 570119512 /nfs/dbraw/zinc/11/95/12/570119512.db2.gz HITONOHRKOVZEZ-LJQANCHMSA-N 0 0 472.545 3.877 40 0 JHABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCOC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257244348 570121259 /nfs/dbraw/zinc/12/12/59/570121259.db2.gz IKWXOPVCSSFZBF-NRFANRHFSA-N 0 0 473.573 3.567 40 0 JHABRN O=C(c1cccc(OCCN2CCCC2=O)c1)N1CCOC[C@H](Cc2cccc3cccnc32)C1 ZINC000257244349 570121290 /nfs/dbraw/zinc/12/12/90/570121290.db2.gz IKWXOPVCSSFZBF-OAQYLSRUSA-N 0 0 473.573 3.567 40 0 JHABRN NC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC[C@@H]1Oc1ccc(Cl)cc1 ZINC000257245126 570121658 /nfs/dbraw/zinc/12/16/58/570121658.db2.gz IODQFNPUDJHGQH-SJCJKPOMSA-N 0 0 477.797 3.980 40 0 JHABRN C[C@]1(O)CN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257245953 570121874 /nfs/dbraw/zinc/12/18/74/570121874.db2.gz IRVFCVUCPDRCIQ-REWPJTCUSA-N 0 0 459.518 3.931 40 0 JHABRN COCC(=O)N1CCC(C)(C(=O)N2CCC(c3nccnc3Oc3ccc(C)cc3)CC2)CC1 ZINC000257248386 570122797 /nfs/dbraw/zinc/12/27/97/570122797.db2.gz JDLAICGWYGUXCS-UHFFFAOYSA-N 0 0 466.582 3.558 40 0 JHABRN Cc1nonc1COc1ccccc1C(=O)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257250174 570123210 /nfs/dbraw/zinc/12/32/10/570123210.db2.gz JLJIRINZIPRDTP-NLFFAJNJSA-N 0 0 467.497 3.939 40 0 JHABRN Cc1cc(C)nc(NCCC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)n1 ZINC000257250824 570123451 /nfs/dbraw/zinc/12/34/51/570123451.db2.gz JODMKNKFOQGGHJ-OAQYLSRUSA-N 0 0 477.544 3.749 40 0 JHABRN CC(C)n1nccc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCOCC2)C1 ZINC000257251619 570123596 /nfs/dbraw/zinc/12/35/96/570123596.db2.gz JRLXJIXGYZDSKH-RUZDIDTESA-N 0 0 489.016 3.668 40 0 JHABRN C[C@@]1(O)CCN(C(=O)OCc2ccccc2)C[C@H]1n1cnc2c1ncnc2NCc1ccccc1 ZINC000257256585 570125219 /nfs/dbraw/zinc/12/52/19/570125219.db2.gz KMCPUDNSUUSUEK-QFQXNSOFSA-N 0 0 472.549 3.773 40 0 JHABRN Cc1nc2c(c(Nc3ccccn3)n1)CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000257256878 570125235 /nfs/dbraw/zinc/12/52/35/570125235.db2.gz KNHFBQCXUXKUIE-UHFFFAOYSA-N 0 0 463.485 3.732 40 0 JHABRN COc1ccccc1[C@@H]1CN(C(=O)C(C)(C)NC(=O)CCc2ccccc2)C[C@]12CCCCC(=O)N2 ZINC000257257413 570125390 /nfs/dbraw/zinc/12/53/90/570125390.db2.gz KPMPYBZPACSMCF-MUAVYFROSA-N 0 0 491.632 3.578 40 0 JHABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)CC1 ZINC000257257777 570125573 /nfs/dbraw/zinc/12/55/73/570125573.db2.gz KRACTAQQYGZCDQ-MHZLTWQESA-N 0 0 472.545 3.693 40 0 JHABRN Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4ccc5nccn5c4)C3)c2)nc(C)n1 ZINC000257259288 570125945 /nfs/dbraw/zinc/12/59/45/570125945.db2.gz KXQXZKRGWYSXHM-OAQYLSRUSA-N 0 0 456.550 3.816 40 0 JHABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257259314 570126121 /nfs/dbraw/zinc/12/61/21/570126121.db2.gz KXUIFYRYPQKYLJ-HXUWFJFHSA-N 0 0 462.546 3.765 40 0 JHABRN CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br ZINC000409096318 570126796 /nfs/dbraw/zinc/12/67/96/570126796.db2.gz KNOWPTXTVIAVFQ-GZTJUZNOSA-N 0 0 458.312 3.688 40 0 JHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409099794 570128022 /nfs/dbraw/zinc/12/80/22/570128022.db2.gz LQFVODHCDCDHQZ-VOSMRYOYSA-N 0 0 483.996 3.896 40 0 JHABRN O=C(CCc1ccc(F)cc1)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257266209 570128381 /nfs/dbraw/zinc/12/83/81/570128381.db2.gz MBZTUQCUUNQYSU-MHZLTWQESA-N 0 0 486.559 3.834 40 0 JHABRN COc1ccccc1Cc1cc(C(=O)N2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)ccn1 ZINC000257267390 570128680 /nfs/dbraw/zinc/12/86/80/570128680.db2.gz MHCIWIGTVVMHTH-IBGZPJMESA-N 0 0 468.561 3.956 40 0 JHABRN Cc1c(C(=O)N2CCC[C@@]3(CN(Cc4ccccc4)C(=O)O3)CC2)cccc1N1CCOCC1 ZINC000257267809 570128770 /nfs/dbraw/zinc/12/87/70/570128770.db2.gz MIVPYANMUVNAJO-MHZLTWQESA-N 0 0 463.578 3.849 40 0 JHABRN 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GMDMTFDSXIDTAL-CQSZACIVSA-N 0 0 455.349 3.936 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2OC)cc1C ZINC000022268447 555907353 /nfs/dbraw/zinc/90/73/53/555907353.db2.gz IGDIBDIVEZDOBM-JOCHJYFZSA-N 0 0 468.575 3.931 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)cc1C ZINC000022268457 555907628 /nfs/dbraw/zinc/90/76/28/555907628.db2.gz PFFHSDXXAIYBRX-HSZRJFAPSA-N 0 0 468.575 3.931 40 0 JHABRN COc1ccc(-c2noc(CCC(=O)Nc3ccc(I)cc3)n2)cc1OC ZINC000015423123 555908457 /nfs/dbraw/zinc/90/84/57/555908457.db2.gz WEAAKFXCCPVBND-UHFFFAOYSA-N 0 0 479.274 3.930 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000022271787 555910036 /nfs/dbraw/zinc/91/00/36/555910036.db2.gz HEFMAEKSEWGZCN-JOCHJYFZSA-N 0 0 460.502 3.892 40 0 JHABRN CCOc1ccc([C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1OCC ZINC000015611070 555918943 /nfs/dbraw/zinc/91/89/43/555918943.db2.gz OLBBJLSVGJSCJQ-HKUYNNGSSA-N 0 0 478.586 3.901 40 0 JHABRN COc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3cccc(C(F)(F)F)c3)CCC[C@H]2O)cc1 ZINC000015672046 555929009 /nfs/dbraw/zinc/92/90/09/555929009.db2.gz LHHHCNFCFANTOT-RTBURBONSA-N 0 0 451.445 3.501 40 0 biogenic,in-vitro JHABRN CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2ccc(I)c(C)n2)c1 ZINC000022742689 555949831 /nfs/dbraw/zinc/94/98/31/555949831.db2.gz OBSWVQFDPJTNMU-UHFFFAOYSA-N 0 0 485.347 3.919 40 0 JHABRN CCOc1ccc(CNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1 ZINC000022913881 555968855 /nfs/dbraw/zinc/96/88/55/555968855.db2.gz AQVKTKWCRDXGOS-UHFFFAOYSA-N 0 0 493.629 3.522 40 0 JHABRN CC[C@@H](c1nnnn1C1CCCCC1)N(CCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000022928451 555978993 /nfs/dbraw/zinc/97/89/93/555978993.db2.gz XCGYBWDBPQRFKZ-DEOSSOPVSA-N 0 0 493.656 3.614 40 0 JHABRN Fc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022929286 555981273 /nfs/dbraw/zinc/98/12/73/555981273.db2.gz KJCWCOIHYAIIQZ-RUZDIDTESA-N 0 0 460.532 3.907 40 0 JHABRN COc1ccc(Cn2nnnc2[C@@H](c2ccc(OC)cc2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022929522 555982106 /nfs/dbraw/zinc/98/21/06/555982106.db2.gz YCXFMVXRYWODOW-HHHXNRCGSA-N 0 0 484.604 3.646 40 0 JHABRN COc1ccc(OC)c([C@H](c2nnnn2CCC(C)C)N2CCN(Cc3ccccc3OC)CC2)c1 ZINC000022929830 555982462 /nfs/dbraw/zinc/98/24/62/555982462.db2.gz KUVGJZKJNIGOBQ-AREMUKBSSA-N 0 0 494.640 3.652 40 0 JHABRN COc1cccc([C@@H](c2nnnn2CCC(C)C)N2CCN(Cc3ccccc3)CC2)c1OC ZINC000022929824 555982469 /nfs/dbraw/zinc/98/24/69/555982469.db2.gz FYNWRPGWOSNEII-DEOSSOPVSA-N 0 0 464.614 3.644 40 0 JHABRN COc1ccc(CCn2nnnc2[C@H](CC(C)C)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000022929981 555983161 /nfs/dbraw/zinc/98/31/61/555983161.db2.gz VEARZBYSZXFPRO-DEOSSOPVSA-N 0 0 478.641 3.838 40 0 JHABRN Cc1ccc(NC(=O)CSCc2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)c(C)c1 ZINC000015987531 556101295 /nfs/dbraw/zinc/10/12/95/556101295.db2.gz IGTXZRMSBPNOAS-UHFFFAOYSA-N 0 0 452.515 3.603 40 0 JHABRN O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 ZINC000016037871 556120298 /nfs/dbraw/zinc/12/02/98/556120298.db2.gz ZPZPNFJGMOEASD-JLLPCOHGSA-N 0 0 453.473 3.854 40 0 JHABRN COC(=O)c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000024256770 556127852 /nfs/dbraw/zinc/12/78/52/556127852.db2.gz ADOQTPCGMBNIBG-UHFFFAOYSA-N 0 0 450.560 3.569 40 0 JHABRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000016269406 556131964 /nfs/dbraw/zinc/13/19/64/556131964.db2.gz YTBBZUJTHLSOSB-UHFFFAOYSA-N 0 0 465.000 3.682 40 0 JHABRN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(I)cn1 ZINC000016283108 556132489 /nfs/dbraw/zinc/13/24/89/556132489.db2.gz RKHVFVDJJIZAEG-UHFFFAOYSA-N 0 0 461.712 3.540 40 0 JHABRN CC(=O)Nc1cccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000016321541 556135208 /nfs/dbraw/zinc/13/52/08/556135208.db2.gz AJSCBIRBPMTAOX-UHFFFAOYSA-N 0 0 451.548 3.517 40 0 JHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013023659 556212953 /nfs/dbraw/zinc/21/29/53/556212953.db2.gz MPGHPMZQIJLQRQ-DEOSSOPVSA-N 0 0 456.550 3.906 40 0 JHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1ccccc1 ZINC000013024818 556214851 /nfs/dbraw/zinc/21/48/51/556214851.db2.gz SARFNMQKTZAABW-DEOSSOPVSA-N 0 0 465.598 3.733 40 0 JHABRN COc1cccc([C@@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)Nc3ncnn32)c1 ZINC000017086279 556216287 /nfs/dbraw/zinc/21/62/87/556216287.db2.gz COZRMBQMUHLKCZ-HXUWFJFHSA-N 0 0 455.902 3.885 40 0 JHABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028908 556223116 /nfs/dbraw/zinc/22/31/16/556223116.db2.gz WXXZVGMUSSFTKR-KCWPFWIISA-N 0 0 489.620 3.801 40 0 JHABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013029443 556223847 /nfs/dbraw/zinc/22/38/47/556223847.db2.gz JUEQCBYCFWMAHW-RLWLMLJZSA-N 0 0 475.593 3.547 40 0 JHABRN COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000025651477 556228603 /nfs/dbraw/zinc/22/86/03/556228603.db2.gz XVGZIPZFVJJALB-UHFFFAOYSA-N 0 0 459.793 3.930 40 0 JHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013031830 556229209 /nfs/dbraw/zinc/22/92/09/556229209.db2.gz MFALZJTVPFORQX-AREMUKBSSA-N 0 0 486.620 3.887 40 0 JHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc2ncccc2c1)N(CCOC)C(=O)Cn1nnc2ccccc21 ZINC000013032695 556231829 /nfs/dbraw/zinc/23/18/29/556231829.db2.gz BEMOSRSLGAUYMY-RUZDIDTESA-N 0 0 488.592 3.501 40 0 JHABRN CSc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C(=O)N1CCCC1 ZINC000026115521 556245731 /nfs/dbraw/zinc/24/57/31/556245731.db2.gz MRSFRYOBLBWBQQ-UHFFFAOYSA-N 0 0 473.664 3.772 40 0 JHABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000026117244 556247029 /nfs/dbraw/zinc/24/70/29/556247029.db2.gz IPSOTASYBSUVKA-UHFFFAOYSA-N 0 0 475.419 3.666 40 0 JHABRN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063855 556261236 /nfs/dbraw/zinc/26/12/36/556261236.db2.gz SLTYHYXAMOVEGT-GMAHTHKFSA-N 0 0 450.587 3.898 40 0 JHABRN O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1 ZINC000013083772 556280582 /nfs/dbraw/zinc/28/05/82/556280582.db2.gz TYNRRXIOIDBLGI-UHFFFAOYSA-N 0 0 481.578 3.933 40 0 JHABRN CC(=O)N[C@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000013085064 556282861 /nfs/dbraw/zinc/28/28/61/556282861.db2.gz WPILMNNGHOXICJ-XMMPIXPASA-N 0 0 470.013 3.932 40 0 JHABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 ZINC000018077951 556284555 /nfs/dbraw/zinc/28/45/55/556284555.db2.gz QIJBIOJAXZCGRX-UHFFFAOYSA-N 0 0 486.375 3.893 40 0 JHABRN C[C@H]1CCCCN1C(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12 ZINC000013085641 556284684 /nfs/dbraw/zinc/28/46/84/556284684.db2.gz KCJATRSSKFSFTJ-KRWDZBQOSA-N 0 0 468.627 3.626 40 0 JHABRN Cc1csc(NC(=O)CSc2nnc3n(CC(=O)N4[C@H](C)CCC[C@H]4C)c4ccccc4n23)n1 ZINC000013085828 556284973 /nfs/dbraw/zinc/28/49/73/556284973.db2.gz QPELWXAVKGFODD-HZPDHXFCSA-N 0 0 497.650 3.969 40 0 JHABRN O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000013086447 556286203 /nfs/dbraw/zinc/28/62/03/556286203.db2.gz VGEXYYUZKHIBEY-UHFFFAOYSA-N 0 0 479.587 3.796 40 0 JHABRN CCOc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@H]5CC=C[C@@H](C)[C@@H]5C4=O)c3)CC2=O)cc1 ZINC000018244851 556315403 /nfs/dbraw/zinc/31/54/03/556315403.db2.gz LSDWGDVBOLDZNJ-ONMDXVTGSA-N 0 0 488.540 3.745 40 0 JHABRN CN(C)C(=O)c1ccc(NC(=O)COC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000018322434 556319288 /nfs/dbraw/zinc/31/92/88/556319288.db2.gz QUBSPWPBWJOGNT-IWENEADUSA-N 0 0 477.399 3.994 40 0 JHABRN COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC[C@H]4CCCO4)cc3c2)cc1OC ZINC000028208917 556319471 /nfs/dbraw/zinc/31/94/71/556319471.db2.gz VOTMXDXXMFGRNH-QGZVFWFLSA-N 0 0 490.603 3.652 40 0 JHABRN O=C(COc1nc(CN2CCCCC2)nc2scc(-c3cccs3)c21)N1CCOCC1 ZINC000028616784 556337226 /nfs/dbraw/zinc/33/72/26/556337226.db2.gz HBKROZGPRHBEHA-UHFFFAOYSA-N 0 0 458.609 3.643 40 0 JHABRN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c4ccccc4n3)c(=O)n2[C@@H]1c1ccccc1 ZINC000028627786 556337493 /nfs/dbraw/zinc/33/74/93/556337493.db2.gz WKNSFEDQRVZCNM-WVWKGNOCSA-N 0 0 475.957 3.610 40 0 JHABRN c1csc([C@H](c2nnnn2CCc2ccccc2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019371472 556346952 /nfs/dbraw/zinc/34/69/52/556346952.db2.gz YVSYLHWDHCXCTK-RUZDIDTESA-N 0 0 488.617 3.613 40 0 JHABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019499654 556349770 /nfs/dbraw/zinc/34/97/70/556349770.db2.gz MKLFPXUBRQDHEY-QHCPKHFHSA-N 0 0 468.577 3.886 40 0 JHABRN CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(Br)cc(Br)cc3[C@@H]12 ZINC000019690607 556360215 /nfs/dbraw/zinc/36/02/15/556360215.db2.gz FWEOGHFKEYEQIT-AWEZNQCLSA-N 0 0 457.118 3.929 40 0 JHABRN COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1OC ZINC000030752705 556371802 /nfs/dbraw/zinc/37/18/02/556371802.db2.gz ZPBQQOOJKVCSPI-UHFFFAOYSA-N 0 0 499.004 3.697 40 0 JHABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000030864851 556383239 /nfs/dbraw/zinc/38/32/39/556383239.db2.gz CZWPWHBCZZWZNZ-UHFFFAOYSA-N 0 0 458.971 3.630 40 0 JHABRN 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555464900 /nfs/dbraw/zinc/46/49/00/555464900.db2.gz RSMKSRJFHKGJNP-SANMLTNESA-N 0 0 488.567 3.789 40 0 JHABRN COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013504939 555465031 /nfs/dbraw/zinc/46/50/31/555465031.db2.gz KYWVPPGGMLLTEI-SANMLTNESA-N 0 0 454.578 3.950 40 0 JHABRN COc1cccc([C@H](c2nnnn2CCC(C)C)N2CCN(c3ccccc3)CC2)c1OC ZINC000013505371 555466420 /nfs/dbraw/zinc/46/64/20/555466420.db2.gz NBVVMIZQAGYZMI-HSZRJFAPSA-N 0 0 450.587 3.648 40 0 JHABRN COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000013505500 555466641 /nfs/dbraw/zinc/46/66/41/555466641.db2.gz CVWDCKDKJNWZNS-MHZLTWQESA-N 0 0 484.604 3.845 40 0 JHABRN Cc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccncc2)no1 ZINC000013505784 555468172 /nfs/dbraw/zinc/46/81/72/555468172.db2.gz NEWCKVGIBTYGCM-SANMLTNESA-N 0 0 489.576 3.926 40 0 JHABRN COc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013506325 555471145 /nfs/dbraw/zinc/47/11/45/555471145.db2.gz 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555573772 /nfs/dbraw/zinc/57/37/72/555573772.db2.gz UPYRRLYRKIPHEO-QFIPXVFZSA-N 0 0 456.951 3.921 40 0 JHABRN CCOC(=O)C1CCN(C(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 ZINC000013681369 555574271 /nfs/dbraw/zinc/57/42/71/555574271.db2.gz UNGAUVAWMUUJHH-UHFFFAOYSA-N 0 0 478.998 3.722 40 0 JHABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4F)CC3)cc2c1 ZINC000019973155 555575335 /nfs/dbraw/zinc/57/53/35/555575335.db2.gz IYSFSBSMANIMHA-XMMPIXPASA-N 0 0 489.599 3.937 40 0 JHABRN Cc1ccc(NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000009973897 555575753 /nfs/dbraw/zinc/57/57/53/555575753.db2.gz ZRAFMTRHPSQIBR-UHFFFAOYSA-N 0 0 490.944 3.833 40 0 JHABRN Cc1c(Cl)cccc1NC(=O)CSC(Nc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000009973920 555576167 /nfs/dbraw/zinc/57/61/67/555576167.db2.gz DPWPRMYMNBFBGS-UHFFFAOYSA-N 0 0 490.944 3.833 40 0 JHABRN Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-[n+]2ccn(Cc3ccccc3)c2)cc1 ZINC000013685488 555578837 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CC[C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712824 555590318 /nfs/dbraw/zinc/59/03/18/555590318.db2.gz ABLQAXZXKYYUCS-HDFUYHJRSA-N 0 0 476.042 3.742 40 0 JHABRN CC[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713154 555590645 /nfs/dbraw/zinc/59/06/45/555590645.db2.gz MCNQBEZDPWVHLY-QGZVFWFLSA-N 0 0 472.348 3.783 40 0 JHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C ZINC000020015132 555591083 /nfs/dbraw/zinc/59/10/83/555591083.db2.gz AQOWQGBOHHGNGW-HNNXBMFYSA-N 0 0 469.401 3.654 40 0 JHABRN CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714627 555591931 /nfs/dbraw/zinc/59/19/31/555591931.db2.gz HDDOKJVZKMHNJZ-HXUWFJFHSA-N 0 0 463.987 3.759 40 0 JHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(SC)cc2)CC1 ZINC000020018722 555594882 /nfs/dbraw/zinc/59/48/82/555594882.db2.gz PQDFQOLXWOMGQR-OAHLLOKOSA-N 0 0 466.600 3.834 40 0 JHABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000020021215 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/nfs/dbraw/zinc/90/98/50/555909850.db2.gz YYBAGOYNQVVIRF-QHCPKHFHSA-N 0 0 468.575 3.931 40 0 JHABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000022273811 555910342 /nfs/dbraw/zinc/91/03/42/555910342.db2.gz DTUSIHUHJSWKHX-GOSISDBHSA-N 0 0 481.574 3.726 40 0 JHABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000022273808 555910396 /nfs/dbraw/zinc/91/03/96/555910396.db2.gz DTUSIHUHJSWKHX-SFHVURJKSA-N 0 0 481.574 3.726 40 0 JHABRN COCCNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022278187 555916021 /nfs/dbraw/zinc/91/60/21/555916021.db2.gz VNHBEJRTAVSTAN-UHFFFAOYSA-N 0 0 464.893 3.625 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCC(C)C)c2ccc(C)cc2)cc1Br ZINC000022278763 555916501 /nfs/dbraw/zinc/91/65/01/555916501.db2.gz BSWKFKXJLXEBAD-UHFFFAOYSA-N 0 0 469.401 3.734 40 0 JHABRN COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000015653368 555921912 /nfs/dbraw/zinc/92/19/12/555921912.db2.gz KDOCTDIMEICBLT-UHFFFAOYSA-N 0 0 457.379 3.719 40 0 JHABRN CC(=O)Nc1cccc(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022352186 555924128 /nfs/dbraw/zinc/92/41/28/555924128.db2.gz XLRDWOVUICHWEX-UHFFFAOYSA-N 0 0 469.538 3.922 40 0 JHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000022530199 555931591 /nfs/dbraw/zinc/93/15/91/555931591.db2.gz ZFIXIWSBDLIHJB-LJQANCHMSA-N 0 0 450.532 3.805 40 0 JHABRN COc1cc(CN(C(=S)NC(=O)c2cccc(C)c2)C2CCCCC2)ccc1OCC(N)=O ZINC000022705860 555943201 /nfs/dbraw/zinc/94/32/01/555943201.db2.gz KSMFBYGYSWANKB-UHFFFAOYSA-N 0 0 469.607 3.717 40 0 JHABRN Cc1nc(NC(=S)NC(=O)c2ccccc2I)ccc1Br ZINC000022712186 555946312 /nfs/dbraw/zinc/94/63/12/555946312.db2.gz KRTHGAZRIWSVNE-UHFFFAOYSA-N 0 0 476.137 3.884 40 0 JHABRN COc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4c4nc(-c5cccnc5)nn43)C2=O)cc1 ZINC000022739321 555948565 /nfs/dbraw/zinc/94/85/65/555948565.db2.gz IYKLJOWTQUKFEJ-HXUWFJFHSA-N 0 0 482.525 3.772 40 0 JHABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(NC(C)=O)cc1 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GVUNBSJFNHLPEO-AREMUKBSSA-N 0 0 484.604 3.944 40 0 JHABRN COc1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)c1 ZINC000013030894 556226330 /nfs/dbraw/zinc/22/63/30/556226330.db2.gz JCRYUSQLRFKSCJ-SANMLTNESA-N 0 0 486.576 3.772 40 0 JHABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013031350 556227465 /nfs/dbraw/zinc/22/74/65/556227465.db2.gz POEGKMFCRMPXEE-VWLOTQADSA-N 0 0 459.550 3.957 40 0 JHABRN Cc1ccc2[nH]c(=O)c(CN(C(=S)NCCCN3CCOCC3)C3CCCCC3)cc2c1 ZINC000026099743 556241216 /nfs/dbraw/zinc/24/12/16/556241216.db2.gz RBBRHWBXWMUFRW-UHFFFAOYSA-N 0 0 456.656 3.568 40 0 JHABRN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000026110236 556242262 /nfs/dbraw/zinc/24/22/62/556242262.db2.gz WOVYWLNBKIBBCU-INIZCTEOSA-N 0 0 485.389 3.580 40 0 JHABRN O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CC(=O)Nc2ccccc21 ZINC000026109784 556242273 /nfs/dbraw/zinc/24/22/73/556242273.db2.gz CHCXHNSLRYYWSK-CQSZACIVSA-N 0 0 482.389 3.521 40 0 JHABRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3I)o2)c1 ZINC000017228423 556243091 /nfs/dbraw/zinc/24/30/91/556243091.db2.gz MTSYHMRWAANEMS-UHFFFAOYSA-N 0 0 497.314 3.993 40 0 JHABRN O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCc2ccccc2C1 ZINC000026113535 556244556 /nfs/dbraw/zinc/24/45/56/556244556.db2.gz IVBSEVUHURFIGO-QHCPKHFHSA-N 0 0 468.962 3.881 40 0 JHABRN O=C(NCCSCc1ccco1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000026113707 556244568 /nfs/dbraw/zinc/24/45/68/556244568.db2.gz VFPNKHWSUNGHBV-OAQYLSRUSA-N 0 0 493.006 3.939 40 0 JHABRN CC(=O)c1ccc(O[C@@H](C)C(=O)OCC(=O)N=c2sccn2Cc2ccccc2Cl)cc1 ZINC000013042010 556248013 /nfs/dbraw/zinc/24/80/13/556248013.db2.gz KVJVSHNXECRCBF-LDWQWDCMSA-N 0 0 472.950 3.892 40 0 JHABRN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000017304657 556253757 /nfs/dbraw/zinc/25/37/57/556253757.db2.gz YRQVMYBGOKRHBX-UHFFFAOYSA-N 0 0 452.532 3.650 40 0 JHABRN CC(=O)N[C@H](Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1)C(Cl)(Cl)Cl ZINC000026770593 556260548 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KYFJWYJGRZMMTJ-QHCPKHFHSA-N 0 0 475.572 3.629 40 0 JHABRN Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000019234195 556336407 /nfs/dbraw/zinc/33/64/07/556336407.db2.gz VABFUCMVMMNKJN-DEOSSOPVSA-N 0 0 471.609 3.798 40 0 JHABRN O=C(COc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21)NC1CCCC1 ZINC000028616760 556336950 /nfs/dbraw/zinc/33/69/50/556336950.db2.gz QUUXGNANGBRXMI-UHFFFAOYSA-N 0 0 458.609 3.690 40 0 JHABRN Cc1cccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 ZINC000019236486 556337439 /nfs/dbraw/zinc/33/74/39/556337439.db2.gz AZHKEGKWQVKAPR-UHFFFAOYSA-N 0 0 452.530 3.732 40 0 JHABRN O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CCc2ccccc2C1)OCCO3 ZINC000019375340 556347516 /nfs/dbraw/zinc/34/75/16/556347516.db2.gz VFKLYIBXTBOTFK-VWLOTQADSA-N 0 0 484.560 3.549 40 0 JHABRN CC[C@H](c1nnnn1C1CCCC1)N(CCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019500583 556349624 /nfs/dbraw/zinc/34/96/24/556349624.db2.gz YMBYAHHLEBENBL-RUZDIDTESA-N 0 0 493.656 3.532 40 0 JHABRN 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40 0 JHABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CCN(c2ccccc2)CC1 ZINC000026108640 556241652 /nfs/dbraw/zinc/24/16/52/556241652.db2.gz HBROTIJEXSWLHX-UHFFFAOYSA-N 0 0 496.460 3.884 40 0 JHABRN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000026110028 556242228 /nfs/dbraw/zinc/24/22/28/556242228.db2.gz XIHNRXOJSXEOPC-CQSZACIVSA-N 0 0 471.362 3.903 40 0 JHABRN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000026111628 556243092 /nfs/dbraw/zinc/24/30/92/556243092.db2.gz UAIPICNEJROVAK-UHFFFAOYSA-N 0 0 483.634 3.536 40 0 JHABRN COc1cc2c(c(OC)c1OC)-c1cc(I)c(O)cc1[C@H](NC(C)=O)CC2 ZINC000017289589 556251780 /nfs/dbraw/zinc/25/17/80/556251780.db2.gz NTJNSPIBKNYJBX-OAHLLOKOSA-N 0 0 483.302 3.813 40 0 JHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1OCC ZINC000017319890 556258754 /nfs/dbraw/zinc/25/87/54/556258754.db2.gz WFAAOZDIBWLTBT-UHFFFAOYSA-N 0 0 482.624 3.850 40 0 JHABRN COc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1 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/nfs/dbraw/zinc/35/26/10/556352610.db2.gz VEZYTAYSYJXCCV-GYKHTSFTSA-N 0 0 498.535 3.632 40 0 JHABRN COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000019560112 556354091 /nfs/dbraw/zinc/35/40/91/556354091.db2.gz RGMAPPXLXVKJJH-DEOSSOPVSA-N 0 0 494.596 3.851 40 0 JHABRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000030751931 556371229 /nfs/dbraw/zinc/37/12/29/556371229.db2.gz JHBVHCARBVUNTB-UHFFFAOYSA-N 0 0 467.378 3.570 40 0 JHABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1OC ZINC000030859345 556381215 /nfs/dbraw/zinc/38/12/15/556381215.db2.gz OGQAZGBUQSFPJY-UHFFFAOYSA-N 0 0 497.411 3.647 40 0 JHABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1Cl ZINC000030859406 556381311 /nfs/dbraw/zinc/38/13/11/556381311.db2.gz JRLXMHUERYAUNQ-OAHLLOKOSA-N 0 0 452.960 3.927 40 0 JHABRN Cc1cc(I)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000030870655 556385089 /nfs/dbraw/zinc/38/50/89/556385089.db2.gz YLONTRWYXPJMGF-UHFFFAOYSA-N 0 0 464.712 3.877 40 0 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COc1ccccc1N1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019826016 556396770 /nfs/dbraw/zinc/39/67/70/556396770.db2.gz UBBUULGYIRFYFI-AREMUKBSSA-N 0 0 499.619 3.858 40 0 JHABRN CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)CC1 ZINC000032125396 556429777 /nfs/dbraw/zinc/42/97/77/556429777.db2.gz HKKPYINWXXBOKA-UHFFFAOYSA-N 0 0 489.439 3.881 40 0 JHABRN CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000032126310 556430280 /nfs/dbraw/zinc/43/02/80/556430280.db2.gz HCMGFHXRWVGFTC-UHFFFAOYSA-N 0 0 461.503 3.675 40 0 JHABRN CCOc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 ZINC000032126747 556430888 /nfs/dbraw/zinc/43/08/88/556430888.db2.gz XMLHDLGEFNUDPI-UHFFFAOYSA-N 0 0 475.530 3.983 40 0 JHABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc3ccccc3o2)CC1 ZINC000032127099 556431437 /nfs/dbraw/zinc/43/14/37/556431437.db2.gz CUGKXBWNDMGDAV-UHFFFAOYSA-N 0 0 450.564 3.864 40 0 JHABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000032127249 556431728 /nfs/dbraw/zinc/43/17/28/556431728.db2.gz HNQDRNQWNMHZER-UHFFFAOYSA-N 0 0 468.623 3.907 40 0 JHABRN Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c(C)c1 ZINC000032639972 556459425 /nfs/dbraw/zinc/45/94/25/556459425.db2.gz OOPMMZWIKHMVGO-VQTJNVASSA-N 0 0 478.039 3.666 40 0 JHABRN Cc1cccc(C)c1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 ZINC000032640095 556460403 /nfs/dbraw/zinc/46/04/03/556460403.db2.gz UDBLOKLDANUOEQ-QZTJIDSGSA-N 0 0 464.012 3.670 40 0 JHABRN Cc1ccc(C)c(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)cc2)c1 ZINC000032640241 556461343 /nfs/dbraw/zinc/46/13/43/556461343.db2.gz SAUFFRQQBHAVFS-MOPGFXCFSA-N 0 0 464.012 3.670 40 0 JHABRN Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2)c1C ZINC000032640332 556462249 /nfs/dbraw/zinc/46/22/49/556462249.db2.gz KMCGPVUDTIATMY-RBUKOAKNSA-N 0 0 464.012 3.670 40 0 JHABRN COc1ccc(OC)c(N2C(SCc3ccccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640468 556462877 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CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(Br)cc2)c1 ZINC000408662583 570001763 /nfs/dbraw/zinc/00/17/63/570001763.db2.gz KHMIKHDYOGPJLH-UHFFFAOYSA-N 0 0 461.312 3.942 40 0 JHABRN COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 ZINC000408663160 570002229 /nfs/dbraw/zinc/00/22/29/570002229.db2.gz YFFSRZTUZAJAFI-SFTDATJTSA-N 0 0 466.921 3.930 40 0 JHABRN CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000408663815 570002644 /nfs/dbraw/zinc/00/26/44/570002644.db2.gz OKTBSQKGBHUINS-UHFFFAOYSA-N 0 0 468.506 3.747 40 0 JHABRN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)c2ccccc2)C3=O)c1 ZINC000408664875 570003512 /nfs/dbraw/zinc/00/35/12/570003512.db2.gz PPOAXDCFCJFRGN-MRXNPFEDSA-N 0 0 488.496 3.857 40 0 JHABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000225535773 570003524 /nfs/dbraw/zinc/00/35/24/570003524.db2.gz WPORBOBMJWZRMH-XUZZJYLKSA-N 0 0 487.666 3.792 40 0 JHABRN O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408666271 570004597 /nfs/dbraw/zinc/00/45/97/570004597.db2.gz PDODPNDBKMGVNL-ONGXBYRLSA-N 0 0 466.921 3.978 40 0 JHABRN Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000225548630 570004763 /nfs/dbraw/zinc/00/47/63/570004763.db2.gz AETQQHUHNJNXOP-IBGZPJMESA-N 0 0 472.998 3.551 40 0 JHABRN CCCC[C@H](C(=O)OCC(=O)Nc1ccc(C(=O)OCCC)cc1)N1C(=O)c2ccccc2C1=O ZINC000408666687 570004813 /nfs/dbraw/zinc/00/48/13/570004813.db2.gz RNNBGQNXUBAEDN-OAQYLSRUSA-N 0 0 480.517 3.590 40 0 JHABRN CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)cc1 ZINC000408666806 570005024 /nfs/dbraw/zinc/00/50/24/570005024.db2.gz SOPHVOMOBAPHJJ-FQEVSTJZSA-N 0 0 466.534 3.795 40 0 JHABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000225551835 570005052 /nfs/dbraw/zinc/00/50/52/570005052.db2.gz NCPIGBVKICQWFB-IBGZPJMESA-N 0 0 494.057 3.683 40 0 JHABRN CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)CC1=O ZINC000408667120 570005113 /nfs/dbraw/zinc/00/51/13/570005113.db2.gz QCINYXWIVWMFST-UIFIKXQLSA-N 0 0 476.529 3.723 40 0 JHABRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000408667261 570005133 /nfs/dbraw/zinc/00/51/33/570005133.db2.gz SFTSIWVCOIPDRY-UHFFFAOYSA-N 0 0 479.714 3.579 40 0 JHABRN COc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1OC ZINC000225552833 570005147 /nfs/dbraw/zinc/00/51/47/570005147.db2.gz RAJFALVAOSHALE-SFHVURJKSA-N 0 0 481.014 3.507 40 0 JHABRN Cc1cccc(C)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)c2)CC1=O ZINC000408667166 570005165 /nfs/dbraw/zinc/00/51/65/570005165.db2.gz QJTHWUBFJVFTCI-SLRMUYRHSA-N 0 0 472.541 3.964 40 0 JHABRN CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000408667334 570005310 /nfs/dbraw/zinc/00/53/10/570005310.db2.gz QHHBMTYDTIENMD-UHFFFAOYSA-N 0 0 476.327 3.698 40 0 JHABRN O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21)NC1CCCCC1 ZINC000408668701 570006128 /nfs/dbraw/zinc/00/61/28/570006128.db2.gz DTROXNJFQCGPOT-ZQFKLAOWSA-N 0 0 493.401 3.834 40 0 JHABRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O ZINC000408668789 570006163 /nfs/dbraw/zinc/00/61/63/570006163.db2.gz VNBJEVMRFLTGBD-SFHVURJKSA-N 0 0 486.952 3.996 40 0 JHABRN COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC(=O)Nc1ccc(C)cc1 ZINC000225568029 570006290 /nfs/dbraw/zinc/00/62/90/570006290.db2.gz RLCFRIJZRBIONU-DNQXCXABSA-N 0 0 463.607 3.839 40 0 JHABRN Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)c(C)c2)CC1=O ZINC000408670507 570007081 /nfs/dbraw/zinc/00/70/81/570007081.db2.gz SMLVPRAIKFTDNV-LCXONAHVSA-N 0 0 472.541 3.964 40 0 JHABRN O=C(COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1)N1CCOCC1 ZINC000225581918 570007340 /nfs/dbraw/zinc/00/73/40/570007340.db2.gz CXCIIVMCAJPHKJ-UHFFFAOYSA-N 0 0 493.387 3.918 40 0 JHABRN CSc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)s1 ZINC000225581726 570007342 /nfs/dbraw/zinc/00/73/42/570007342.db2.gz MEFLJNJCGIKPMS-UHFFFAOYSA-N 0 0 499.437 3.857 40 0 JHABRN Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c3)CC2=O)cc1C ZINC000408671162 570007601 /nfs/dbraw/zinc/00/76/01/570007601.db2.gz SWSPQWAWDQKVAG-SXSPYAJSSA-N 0 0 460.530 3.942 40 0 JHABRN O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccccc1C(F)(F)F ZINC000408672026 570008009 /nfs/dbraw/zinc/00/80/09/570008009.db2.gz YRWSHEUUOYHVDO-CALCHBBNSA-N 0 0 472.419 3.957 40 0 JHABRN O=C(Nc1ccc(Br)cc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000408671925 570008028 /nfs/dbraw/zinc/00/80/28/570008028.db2.gz UMBKCTBVWCUFSL-QKPHTXKDSA-N 0 0 455.308 3.838 40 0 JHABRN C[C@H](C(=O)NCc1ccco1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408672127 570008136 /nfs/dbraw/zinc/00/81/36/570008136.db2.gz ZOJTZPHAYWUJBT-KXFTWNOMSA-N 0 0 495.362 3.878 40 0 JHABRN O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000408673088 570008529 /nfs/dbraw/zinc/00/85/29/570008529.db2.gz WHWNPDJYTZOIJD-KFKAGJAMSA-N 0 0 466.921 3.978 40 0 JHABRN CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5ccccc5C4=O)cc3)CC2=O)cc1 ZINC000408673688 570008838 /nfs/dbraw/zinc/00/88/38/570008838.db2.gz XOTXZHDKJHCGFO-KRWDZBQOSA-N 0 0 470.481 3.844 40 0 JHABRN Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)c3)CC2=O)c(C)c1 ZINC000408674155 570009021 /nfs/dbraw/zinc/00/90/21/570009021.db2.gz YNBOWINPMYZZSR-YUXAGFNASA-N 0 0 460.530 3.942 40 0 JHABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCc3ccc(OC)cc3)c(C)c2)cc1 ZINC000408674707 570009428 /nfs/dbraw/zinc/00/94/28/570009428.db2.gz GCQSZYXEHQQASL-UHFFFAOYSA-N 0 0 498.601 3.941 40 0 JHABRN C[C@@H](C(=O)NCCSCc1c(F)cccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225640270 570011557 /nfs/dbraw/zinc/01/15/57/570011557.db2.gz MULZDSAFOKYREN-LBPRGKRZSA-N 0 0 480.961 3.961 40 0 JHABRN CS(=O)(=O)N(CCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000408681787 570012674 /nfs/dbraw/zinc/01/26/74/570012674.db2.gz ZGZPOWMDPWTCSB-WEVVVXLNSA-N 0 0 476.042 3.744 40 0 JHABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)Nn4c(C)ccc4C)c3)CC2=O)cc1 ZINC000408681715 570012688 /nfs/dbraw/zinc/01/26/88/570012688.db2.gz IKMATJULGWIXNC-FQEVSTJZSA-N 0 0 460.534 3.879 40 0 JHABRN COc1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)C)cc1 ZINC000225676870 570014036 /nfs/dbraw/zinc/01/40/36/570014036.db2.gz DVLILIXPFVAZJP-INIZCTEOSA-N 0 0 463.372 3.778 40 0 JHABRN Cc1c(NC(=O)c2cccc(N3C(=O)[C@@H]4CC(C)=CC[C@@H]4C3=O)c2)c(=O)n(-c2ccccc2)n1C ZINC000408688748 570014695 /nfs/dbraw/zinc/01/46/95/570014695.db2.gz XHXPMQGATLJGHJ-FCHUYYIVSA-N 0 0 470.529 3.582 40 0 JHABRN Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3C2=O)s1 ZINC000408689454 570014889 /nfs/dbraw/zinc/01/48/89/570014889.db2.gz RYISAKNGVKJIPH-UHFFFAOYSA-N 0 0 491.312 3.749 40 0 JHABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000408693115 570015747 /nfs/dbraw/zinc/01/57/47/570015747.db2.gz HZHDXBQDBJCWJC-UHFFFAOYSA-N 0 0 460.552 3.689 40 0 JHABRN COC(=O)c1ccc(Cl)c(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000408694107 570016617 /nfs/dbraw/zinc/01/66/17/570016617.db2.gz BNCIUNZXQMBLLT-UHFFFAOYSA-N 0 0 459.351 3.965 40 0 JHABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccccc1Cl ZINC000225712437 570016727 /nfs/dbraw/zinc/01/67/27/570016727.db2.gz ZFWWCUCDJUCAOX-UHFFFAOYSA-N 0 0 456.951 3.971 40 0 JHABRN CC(C)n1c2ccc(S(=O)(=O)NCc3nc(-c4cccc(Cl)c4)no3)cc2sc1=O ZINC000225719940 570017377 /nfs/dbraw/zinc/01/73/77/570017377.db2.gz RIDMNLNOVDVMGX-UHFFFAOYSA-N 0 0 464.956 3.826 40 0 JHABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(C)C ZINC000408695212 570017702 /nfs/dbraw/zinc/01/77/02/570017702.db2.gz NUQKKLKGGKPSFK-UHFFFAOYSA-N 0 0 452.598 3.794 40 0 JHABRN COC(=O)c1c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)sc2c1CCCC2 ZINC000408695428 570017851 /nfs/dbraw/zinc/01/78/51/570017851.db2.gz UPOMMGSAXLGIJZ-UHFFFAOYSA-N 0 0 450.582 3.598 40 0 JHABRN Cc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(C)(=O)=O)c1 ZINC000408695974 570018198 /nfs/dbraw/zinc/01/81/98/570018198.db2.gz XLQZDIYOXYBAQJ-UHFFFAOYSA-N 0 0 480.590 3.505 40 0 JHABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000225733605 570018566 /nfs/dbraw/zinc/01/85/66/570018566.db2.gz VEGGVXHDBTZFEK-UHFFFAOYSA-N 0 0 499.677 3.768 40 0 JHABRN O=c1sc2cc(S(=O)(=O)NCCSCc3ccco3)ccc2n1Cc1ccccc1 ZINC000225741874 570019052 /nfs/dbraw/zinc/01/90/52/570019052.db2.gz OLFBNLUMGZYBLD-UHFFFAOYSA-N 0 0 460.602 3.916 40 0 JHABRN O=c1sc2cc(S(=O)(=O)NCc3ccc(-n4ccnc4)cc3)ccc2n1Cc1ccccc1 ZINC000225745983 570019514 /nfs/dbraw/zinc/01/95/14/570019514.db2.gz CZZZTTYBQYLTAW-UHFFFAOYSA-N 0 0 476.583 3.776 40 0 JHABRN O=c1sc2cc(S(=O)(=O)NCc3nc(-c4ccccc4)no3)ccc2n1Cc1ccccc1 ZINC000225752572 570020251 /nfs/dbraw/zinc/02/02/51/570020251.db2.gz WLKPFTNFRBAGNC-UHFFFAOYSA-N 0 0 478.555 3.640 40 0 JHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000225757564 570020435 /nfs/dbraw/zinc/02/04/35/570020435.db2.gz ONWCYAKTFFMTNK-UHFFFAOYSA-N 0 0 450.988 3.724 40 0 JHABRN Cc1ccc(-c2nnc(NC(=O)CN(Cc3ccccc3Cl)S(C)(=O)=O)s2)cc1 ZINC000225761517 570020525 /nfs/dbraw/zinc/02/05/25/570020525.db2.gz KMIUDAQNELEDIA-UHFFFAOYSA-N 0 0 450.973 3.567 40 0 JHABRN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)c1 ZINC000408700059 570020861 /nfs/dbraw/zinc/02/08/61/570020861.db2.gz AMKWLQPHLOPTGZ-GOSISDBHSA-N 0 0 476.595 3.875 40 0 JHABRN COCCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000408700183 570020948 /nfs/dbraw/zinc/02/09/48/570020948.db2.gz BPPUMGGTJPYGOT-UHFFFAOYSA-N 0 0 487.622 3.578 40 0 JHABRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000408700258 570020952 /nfs/dbraw/zinc/02/09/52/570020952.db2.gz BYWGBZCWBROGBR-UHFFFAOYSA-N 0 0 473.576 3.810 40 0 JHABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000408700252 570020967 /nfs/dbraw/zinc/02/09/67/570020967.db2.gz BVEPWRDMKHZNKC-KRWDZBQOSA-N 0 0 460.552 3.587 40 0 JHABRN COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1Cl ZINC000408700374 570021056 /nfs/dbraw/zinc/02/10/56/570021056.db2.gz DVOZPMMDCJBUGD-UHFFFAOYSA-N 0 0 466.943 3.562 40 0 JHABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000408700959 570021417 /nfs/dbraw/zinc/02/14/17/570021417.db2.gz PAZDMILJEJOODL-DEOSSOPVSA-N 0 0 499.677 3.564 40 0 JHABRN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)cc1 ZINC000408701273 570021810 /nfs/dbraw/zinc/02/18/10/570021810.db2.gz VHAXLLKJAOSTMW-UHFFFAOYSA-N 0 0 474.623 3.587 40 0 JHABRN CS(=O)(=O)N(CCCC(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000408702223 570022267 /nfs/dbraw/zinc/02/22/67/570022267.db2.gz AHJOEKJFNPWDQG-UHFFFAOYSA-N 0 0 473.320 3.502 40 0 JHABRN COc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)s2)cc1 ZINC000225813212 570023073 /nfs/dbraw/zinc/02/30/73/570023073.db2.gz LCNLUGFJJHXIMO-UHFFFAOYSA-N 0 0 472.592 3.949 40 0 JHABRN O=C1CC2(CCN(S(=O)(=O)Cc3ccccc3F)CC2)Oc2ccc(Br)cc21 ZINC000225823347 570023469 /nfs/dbraw/zinc/02/34/69/570023469.db2.gz BTDHVMYGIIHEGI-UHFFFAOYSA-N 0 0 468.344 3.918 40 0 JHABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000408703926 570023610 /nfs/dbraw/zinc/02/36/10/570023610.db2.gz WDDQTLOAGUYAIX-KRWDZBQOSA-N 0 0 473.595 3.650 40 0 JHABRN C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704394 570024041 /nfs/dbraw/zinc/02/40/41/570024041.db2.gz MUEWEEUEMFTYOS-NSHDSACASA-N 0 0 489.775 3.667 40 0 JHABRN CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3ccc(I)cc3)no2)cc1 ZINC000225839330 570024182 /nfs/dbraw/zinc/02/41/82/570024182.db2.gz QOPPZFUIMGLEDV-UHFFFAOYSA-N 0 0 476.274 3.871 40 0 JHABRN CCOC(=O)Cc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 ZINC000225848384 570024708 /nfs/dbraw/zinc/02/47/08/570024708.db2.gz XMZNWVWXEHMVKV-UHFFFAOYSA-N 0 0 464.543 3.796 40 0 JHABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000225868323 570025733 /nfs/dbraw/zinc/02/57/33/570025733.db2.gz KUNUNPUWWMATSO-LJQANCHMSA-N 0 0 450.988 3.829 40 0 JHABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000408714314 570025805 /nfs/dbraw/zinc/02/58/05/570025805.db2.gz OAPPTLBRFWDVKN-UHFFFAOYSA-N 0 0 470.595 3.622 40 0 JHABRN CCc1ccc(CC)c(CNC(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)c1 ZINC000225878086 570026150 /nfs/dbraw/zinc/02/61/50/570026150.db2.gz OCHJUZGJHSUDBB-UHFFFAOYSA-N 0 0 469.003 3.564 40 0 JHABRN CC(C)CNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225891802 570026451 /nfs/dbraw/zinc/02/64/51/570026451.db2.gz BIZGPYMVELEFHY-UHFFFAOYSA-N 0 0 467.687 3.982 40 0 JHABRN Cc1nc2cc(C(=O)N3C[C@H](C(=O)NCCc4ccccc4)Oc4ccccc43)ccc2n1C ZINC000225893009 570026467 /nfs/dbraw/zinc/02/64/67/570026467.db2.gz MNXXUEPQOCTPGK-RUZDIDTESA-N 0 0 454.530 3.648 40 0 JHABRN COCCCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCc3ccccc3C2)n1 ZINC000225901063 570026604 /nfs/dbraw/zinc/02/66/04/570026604.db2.gz DOQHBKMZVCOECY-UHFFFAOYSA-N 0 0 454.644 3.599 40 0 JHABRN S=C(NCc1ccccc1)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 ZINC000225928887 570028183 /nfs/dbraw/zinc/02/81/83/570028183.db2.gz DYBMGJNCNRNSLQ-UHFFFAOYSA-N 0 0 464.605 3.846 40 0 JHABRN S=C(NCc1ccc(Cl)cc1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCOCC2)n1 ZINC000225934152 570028383 /nfs/dbraw/zinc/02/83/83/570028383.db2.gz VGYCMSAJNJHLPS-UHFFFAOYSA-N 0 0 481.025 3.973 40 0 JHABRN S=C(NCc1cccnc1)Nc1nc(N2CCCCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225939814 570028872 /nfs/dbraw/zinc/02/88/72/570028872.db2.gz PGWJWDCXRCKULO-UHFFFAOYSA-N 0 0 488.665 3.675 40 0 JHABRN Cc1ccc(CNC(=S)Nc2nc(N3CCOCC3)cc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000225943489 570029033 /nfs/dbraw/zinc/02/90/33/570029033.db2.gz JRDUMHKISWNRHJ-OALUTQOASA-N 0 0 454.644 3.591 40 0 JHABRN Cn1c(=O)c2c(n(C)c1=O)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(CCc2ccccc2)cc1 ZINC000408733760 570029759 /nfs/dbraw/zinc/02/97/59/570029759.db2.gz QABHZSOXYMKRAD-DNQXCXABSA-N 0 0 475.548 3.948 40 0 JHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000226010365 570032348 /nfs/dbraw/zinc/03/23/48/570032348.db2.gz NQVIDDRBFPPVOX-UHFFFAOYSA-N 0 0 456.539 3.731 40 0 JHABRN COc1ccc(CN(C)C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000226009691 570032366 /nfs/dbraw/zinc/03/23/66/570032366.db2.gz IPGRXULPJQGVNH-UHFFFAOYSA-N 0 0 482.602 3.596 40 0 JHABRN COc1cccc(N(C)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000226011143 570032519 /nfs/dbraw/zinc/03/25/19/570032519.db2.gz XGXIDZYGCXJCJA-UHFFFAOYSA-N 0 0 484.574 3.566 40 0 JHABRN S=C(NCc1ccc2c(c1)OCCO2)Nc1nc(Sc2ncccn2)cc(N2CCCCC2)n1 ZINC000226014584 570032899 /nfs/dbraw/zinc/03/28/99/570032899.db2.gz MQGQCTDTLFDJHU-UHFFFAOYSA-N 0 0 495.634 3.666 40 0 JHABRN COc1cccc(OC)c1CNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000226031240 570033522 /nfs/dbraw/zinc/03/35/22/570033522.db2.gz PLBFJHOMYJPEPA-UHFFFAOYSA-N 0 0 482.602 3.828 40 0 JHABRN CCc1cc(Br)cc(C)c1NC(=O)CN(C)S(=O)(=O)c1cc(OC)ccc1OC ZINC000226056802 570034808 /nfs/dbraw/zinc/03/48/08/570034808.db2.gz YWTGVTWFORABJH-UHFFFAOYSA-N 0 0 485.400 3.596 40 0 JHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3c[nH]c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408753781 570035005 /nfs/dbraw/zinc/03/50/05/570035005.db2.gz QDPNQBZJYDOXQS-RZXXJPOTSA-N 0 0 463.946 3.543 40 0 JHABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(C3CCCCC3)S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000226062653 570035229 /nfs/dbraw/zinc/03/52/29/570035229.db2.gz CJAIVXRGGBDDRW-UHFFFAOYSA-N 0 0 498.580 3.847 40 0 JHABRN O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCc2cc(Br)ccc21 ZINC000226073781 570035898 /nfs/dbraw/zinc/03/58/98/570035898.db2.gz MVHPKHOWMHLSEX-UHFFFAOYSA-N 0 0 467.360 3.578 40 0 JHABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4sncc4c3)CC2)cc1Cl ZINC000226079868 570036391 /nfs/dbraw/zinc/03/63/91/570036391.db2.gz SCJBYIZUAJIGGU-UHFFFAOYSA-N 0 0 465.984 3.998 40 0 JHABRN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2)n1 ZINC000226078992 570036418 /nfs/dbraw/zinc/03/64/18/570036418.db2.gz XNERGIHGZYSUDY-UHFFFAOYSA-N 0 0 488.569 3.575 40 0 JHABRN Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=C[C@@H](C)[C@@H]5C4=O)cc3)CC2=O)c1 ZINC000226402404 570037760 /nfs/dbraw/zinc/03/77/60/570037760.db2.gz MCFFBWZHIIAVDV-ICSRYVJKSA-N 0 0 472.541 3.964 40 0 JHABRN C[C@@H](OC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H](C[C@H]3c3ccccc3)[C@@H]2C1=O)C(=O)c1ccc(Cl)cc1 ZINC000226404579 570037857 /nfs/dbraw/zinc/03/78/57/570037857.db2.gz IFVDNUREXQREPB-VQAKWBKQSA-N 0 0 465.933 3.879 40 0 JHABRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=C[C@@H](C)[C@@H]5C4=O)c(C)c3)CC2=O)cc1 ZINC000226405202 570037895 /nfs/dbraw/zinc/03/78/95/570037895.db2.gz JCELJHDYBMNUSS-NHGJLWFOSA-N 0 0 472.541 3.964 40 0 JHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785862 570043105 /nfs/dbraw/zinc/04/31/05/570043105.db2.gz IUFAZCISSQBWGK-HVQRGMKJSA-N 0 0 495.576 3.521 40 0 JHABRN CC(C)(C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000408791475 570044096 /nfs/dbraw/zinc/04/40/96/570044096.db2.gz ZDIKTQMNPOUCMO-UHFFFAOYSA-N 0 0 453.402 3.597 40 0 JHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408805621 570047385 /nfs/dbraw/zinc/04/73/85/570047385.db2.gz HJPXEYCKMLKGDD-IGSWSUAKSA-N 0 0 489.572 3.912 40 0 JHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408827962 570052497 /nfs/dbraw/zinc/05/24/97/570052497.db2.gz NAIFEZCRUFPBKN-MGSPXPDISA-N 0 0 471.582 3.896 40 0 JHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408836299 570053141 /nfs/dbraw/zinc/05/31/41/570053141.db2.gz PUKUHAPDNCGOKM-DLBLZJNESA-N 0 0 492.597 3.514 40 0 JHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836824 570053298 /nfs/dbraw/zinc/05/32/98/570053298.db2.gz WAISTMFKLBFZNL-QFXGEWDLSA-N 0 0 479.602 3.546 40 0 JHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408839796 570053511 /nfs/dbraw/zinc/05/35/11/570053511.db2.gz CJUPWFYELPYRCX-JKALPCAWSA-N 0 0 489.018 3.912 40 0 JHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(=O)/c(=C\c3cc(C)n(C)c3C)sc2=N1 ZINC000408855898 570056481 /nfs/dbraw/zinc/05/64/81/570056481.db2.gz AABJZNCAPUYIKX-UBXANZILSA-N 0 0 469.632 3.595 40 0 JHABRN CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(=O)/c(=C\c3cc(C)n(C)c3C)sc2=N1 ZINC000408855900 570056518 /nfs/dbraw/zinc/05/65/18/570056518.db2.gz AABJZNCAPUYIKX-YMFQVDJJSA-N 0 0 469.632 3.595 40 0 JHABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCCSc3ccccn3)cc2)CC1 ZINC000408861604 570057428 /nfs/dbraw/zinc/05/74/28/570057428.db2.gz TWGJXJSTZPKTFE-UHFFFAOYSA-N 0 0 462.619 3.935 40 0 JHABRN O=C(CCSc1nnc(SCCC(=O)Nc2nccs2)s1)Nc1nccs1 ZINC000247760029 570069345 /nfs/dbraw/zinc/06/93/45/570069345.db2.gz GYMVJWDRMLHEIR-UHFFFAOYSA-N 0 0 458.641 3.693 40 0 JHABRN Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000248000965 570072416 /nfs/dbraw/zinc/07/24/16/570072416.db2.gz DIZIXZWWCOSXHH-UHFFFAOYSA-N 0 0 464.587 3.859 40 0 JHABRN COc1ccccc1N(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000408925440 570078401 /nfs/dbraw/zinc/07/84/01/570078401.db2.gz SZPNUPHWBTYSCC-UHFFFAOYSA-N 0 0 477.435 3.818 40 0 JHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408949904 570083991 /nfs/dbraw/zinc/08/39/91/570083991.db2.gz SQIDBDZHXMXOFB-JYWRCUDFSA-N 0 0 489.380 3.724 40 0 JHABRN O=C(CN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O)Nc1ccccc1F ZINC000408962311 570086365 /nfs/dbraw/zinc/08/63/65/570086365.db2.gz HBHQKVUGGHUZAR-NVNXTCNLSA-N 0 0 498.273 3.811 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)Cc2ccccc2)c(OC)c1 ZINC000408974829 570089444 /nfs/dbraw/zinc/08/94/44/570089444.db2.gz HFJZLBQTOFBLOS-UHFFFAOYSA-N 0 0 454.548 3.842 40 0 JHABRN CC(C)[C@@H](c1nnnn1C(C)(C)C)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500502 570102059 /nfs/dbraw/zinc/10/20/59/570102059.db2.gz 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OERLMXNDYWRKCK-UHFFFAOYSA-N 0 0 468.575 3.908 40 0 JHABRN COc1ccc([C@H](C)NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000020043856 555615348 /nfs/dbraw/zinc/61/53/48/555615348.db2.gz NXGQDLLQENEHTF-SFHVURJKSA-N 0 0 484.574 3.785 40 0 JHABRN O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020048142 555618183 /nfs/dbraw/zinc/61/81/83/555618183.db2.gz QXOOYCKCXXTWGX-QHCPKHFHSA-N 0 0 497.661 3.926 40 0 JHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3)cc2)c2ccccc2)cc1 ZINC000020048047 555618258 /nfs/dbraw/zinc/61/82/58/555618258.db2.gz QTANNCVZCCAXGH-UHFFFAOYSA-N 0 0 490.585 3.783 40 0 JHABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000020050605 555619732 /nfs/dbraw/zinc/61/97/32/555619732.db2.gz RJEDXTALGCQQTO-UHFFFAOYSA-N 0 0 479.967 3.765 40 0 JHABRN CCOc1ccccc1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000010111046 555621946 /nfs/dbraw/zinc/62/19/46/555621946.db2.gz VLWWWKDLWUFYQS-UHFFFAOYSA-N 0 0 450.988 3.886 40 0 JHABRN Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(Cc4cccnc4)CC3)c(=O)[nH]c2cc1C ZINC000020083739 555631338 /nfs/dbraw/zinc/63/13/38/555631338.db2.gz FPEFLRFTXWTLGM-AREMUKBSSA-N 0 0 498.635 3.549 40 0 JHABRN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1OC ZINC000010127880 555633697 /nfs/dbraw/zinc/63/36/97/555633697.db2.gz MOKCQZGDONYTDV-RIYZIHGNSA-N 0 0 460.552 3.539 40 0 JHABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1OC ZINC000010127384 555633704 /nfs/dbraw/zinc/63/37/04/555633704.db2.gz MYGRPAQBRSEELL-PKNBQFBNSA-N 0 0 495.605 3.510 40 0 JHABRN CCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccc1Cl ZINC000020105120 555638368 /nfs/dbraw/zinc/63/83/68/555638368.db2.gz ADCRCVVXCGLGCF-CYBMUJFWSA-N 0 0 456.973 3.618 40 0 JHABRN COc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000020109215 555644971 /nfs/dbraw/zinc/64/49/71/555644971.db2.gz ONLWBYOPFFOUNW-UHFFFAOYSA-N 0 0 484.984 3.947 40 0 JHABRN CCOc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 ZINC000020110501 555646538 /nfs/dbraw/zinc/64/65/38/555646538.db2.gz KOCJXBZXTRVEEM-DEOSSOPVSA-N 0 0 466.559 3.666 40 0 JHABRN CCOc1cccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000020111670 555648619 /nfs/dbraw/zinc/64/86/19/555648619.db2.gz HZWICQDAVZOIDK-UHFFFAOYSA-N 0 0 454.548 3.606 40 0 JHABRN Cn1c2nc3n(c2c(=O)n(Cc2ccc(Cl)cc2)c1=O)CCN3c1ccc(Br)cc1 ZINC000010252093 555660891 /nfs/dbraw/zinc/66/08/91/555660891.db2.gz BILGOTOIKTYWBC-UHFFFAOYSA-N 0 0 486.757 3.513 40 0 JHABRN COc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1C(=O)N1CCCCC1 ZINC000010281854 555672556 /nfs/dbraw/zinc/67/25/56/555672556.db2.gz MYPQSLHDSYTMDX-UHFFFAOYSA-N 0 0 466.600 3.672 40 0 JHABRN COc1cccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000010300013 555676893 /nfs/dbraw/zinc/67/68/93/555676893.db2.gz UTFPAUSVBDULAL-UHFFFAOYSA-N 0 0 470.547 3.855 40 0 JHABRN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1 ZINC000020168914 555679737 /nfs/dbraw/zinc/67/97/37/555679737.db2.gz UOEHABUEVQRSCW-NRFANRHFSA-N 0 0 477.542 3.987 40 0 JHABRN COCCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000010314327 555679913 /nfs/dbraw/zinc/67/99/13/555679913.db2.gz IREJZPAEODSFFZ-UHFFFAOYSA-N 0 0 481.574 3.814 40 0 JHABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)c2C)cc1 ZINC000010314696 555680633 /nfs/dbraw/zinc/68/06/33/555680633.db2.gz HZOOBXNVVBXONO-UHFFFAOYSA-N 0 0 487.603 3.752 40 0 JHABRN COc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1OC ZINC000010315161 555682018 /nfs/dbraw/zinc/68/20/18/555682018.db2.gz UOJSRVFPQOHCDT-UHFFFAOYSA-N 0 0 454.548 3.786 40 0 JHABRN COc1ccc(N([C@@H](C)C(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cc1Cl ZINC000010329972 555687121 /nfs/dbraw/zinc/68/71/21/555687121.db2.gz LASMNMCWXAREJY-NSHDSACASA-N 0 0 461.765 3.904 40 0 JHABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014105997 555689160 /nfs/dbraw/zinc/68/91/60/555689160.db2.gz FTHJTAHERQBHCE-HKUYNNGSSA-N 0 0 479.440 3.987 40 0 JHABRN O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014106012 555689205 /nfs/dbraw/zinc/68/92/05/555689205.db2.gz OITDZEKLNJKIDS-NSHDSACASA-N 0 0 477.302 3.906 40 0 JHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cc1Cl ZINC000010336796 555691578 /nfs/dbraw/zinc/69/15/78/555691578.db2.gz HWOFSCPUSCXOPL-NSHDSACASA-N 0 0 461.765 3.904 40 0 JHABRN COC(=O)c1ccc(Cl)c(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)c1 ZINC000014152635 555708219 /nfs/dbraw/zinc/70/82/19/555708219.db2.gz RLQCCEUZBHKJFC-UHFFFAOYSA-N 0 0 450.879 3.694 40 0 JHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(Cl)c2Cl)cc1 ZINC000014154282 555711252 /nfs/dbraw/zinc/71/12/52/555711252.db2.gz ZONPOIQBKLYVAJ-HNNXBMFYSA-N 0 0 457.379 3.792 40 0 JHABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1C ZINC000010442895 555711648 /nfs/dbraw/zinc/71/16/48/555711648.db2.gz YGZMUPQDOJXANF-UHFFFAOYSA-N 0 0 459.351 3.883 40 0 JHABRN COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000010449495 555715369 /nfs/dbraw/zinc/71/53/69/555715369.db2.gz BYRDIZPUGLTKRT-UHFFFAOYSA-N 0 0 466.559 3.879 40 0 JHABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000014223852 555734718 /nfs/dbraw/zinc/73/47/18/555734718.db2.gz NNWCWDACDQFMAZ-UHFFFAOYSA-N 0 0 452.941 3.950 40 0 JHABRN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000014235285 555739025 /nfs/dbraw/zinc/73/90/25/555739025.db2.gz ODRXSWZKZBKGRS-HNNXBMFYSA-N 0 0 471.804 3.820 40 0 JHABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)Cc4ccc(Cl)cc4)cc3)nn12 ZINC000014269326 555758621 /nfs/dbraw/zinc/75/86/21/555758621.db2.gz UGWDMTXADBMCJN-UHFFFAOYSA-N 0 0 471.011 3.802 40 0 JHABRN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1nc(C)cc(C)n1 ZINC000014274310 555776182 /nfs/dbraw/zinc/77/61/82/555776182.db2.gz JNKBCVFCMYQZSU-UHFFFAOYSA-N 0 0 474.178 3.754 40 0 JHABRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000014274845 555778169 /nfs/dbraw/zinc/77/81/69/555778169.db2.gz UVAMTYDJMBZNIP-UHFFFAOYSA-N 0 0 498.358 3.964 40 0 JHABRN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2Cl)CC1 ZINC000014276943 555784811 /nfs/dbraw/zinc/78/48/11/555784811.db2.gz VOYQIBJXAJNVMD-UHFFFAOYSA-N 0 0 475.014 3.923 40 0 JHABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000014277018 555785103 /nfs/dbraw/zinc/78/51/03/555785103.db2.gz AYHMVLRIIATNTO-UHFFFAOYSA-N 0 0 482.993 3.951 40 0 JHABRN COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc(C)cc4)cc3)CC2)c1 ZINC000020411670 555789312 /nfs/dbraw/zinc/78/93/12/555789312.db2.gz DEHZJARQNGMNHI-UHFFFAOYSA-N 0 0 489.572 3.992 40 0 JHABRN O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000020528518 555792640 /nfs/dbraw/zinc/79/26/40/555792640.db2.gz UZRINMWBPLVPGP-UHFFFAOYSA-N 0 0 486.288 3.678 40 0 JHABRN COc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)cc1 ZINC000014336001 555795022 /nfs/dbraw/zinc/79/50/22/555795022.db2.gz KSOXCXLMCYQILW-IBGZPJMESA-N 0 0 496.585 3.848 40 0 JHABRN Cc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000014369829 555800703 /nfs/dbraw/zinc/80/07/03/555800703.db2.gz SNNHPOSNJKMWBW-IBGZPJMESA-N 0 0 466.559 3.839 40 0 JHABRN COc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1C(=O)N1CCC(C)CC1 ZINC000014396741 555802597 /nfs/dbraw/zinc/80/25/97/555802597.db2.gz KJDYUNPQQIKNLO-UHFFFAOYSA-N 0 0 462.637 3.779 40 0 JHABRN CCS(=O)(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000014400407 555805808 /nfs/dbraw/zinc/80/58/08/555805808.db2.gz HRKWBQNPCLZJCU-UHFFFAOYSA-N 0 0 478.876 3.925 40 0 JHABRN COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000014410733 555809697 /nfs/dbraw/zinc/80/96/97/555809697.db2.gz AXCJFHYRJSADOO-UHFFFAOYSA-N 0 0 488.949 3.969 40 0 JHABRN COC(=O)c1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)c1C ZINC000014412021 555811113 /nfs/dbraw/zinc/81/11/13/555811113.db2.gz NOBAPDSSLHDSIH-UHFFFAOYSA-N 0 0 498.557 3.633 40 0 JHABRN CCc1nnc(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)[nH]1 ZINC000021587719 555853015 /nfs/dbraw/zinc/85/30/15/555853015.db2.gz YSNBYWVFYMHAQH-UHFFFAOYSA-N 0 0 455.609 3.968 40 0 JHABRN CCCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000021986159 555859600 /nfs/dbraw/zinc/85/96/00/555859600.db2.gz DGYSDXLCLKPUBR-QODIASIUSA-N 0 0 486.605 3.870 40 0 JHABRN COc1ccc(CNC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022231532 555890279 /nfs/dbraw/zinc/89/02/79/555890279.db2.gz CMHBQWMFEBYJLP-UHFFFAOYSA-N 0 0 468.575 3.665 40 0 JHABRN COc1ccc(NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)c1 ZINC000022231707 555890539 /nfs/dbraw/zinc/89/05/39/555890539.db2.gz TZGPEVZMXDOGDW-UHFFFAOYSA-N 0 0 484.574 3.996 40 0 JHABRN COc1ccc(CNC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1OC ZINC000022231955 555891123 /nfs/dbraw/zinc/89/11/23/555891123.db2.gz SHDVVDTYBJLWCI-UHFFFAOYSA-N 0 0 498.601 3.674 40 0 JHABRN Cc1ccc(CN(c2ccc(OCC(=O)NCc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000022231958 555891147 /nfs/dbraw/zinc/89/11/47/555891147.db2.gz CQUNWPQTRUGQDF-UHFFFAOYSA-N 0 0 456.539 3.796 40 0 JHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1 ZINC000022246519 555896709 /nfs/dbraw/zinc/89/67/09/555896709.db2.gz HWLNVWVBASKEDV-SANMLTNESA-N 0 0 491.657 3.850 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000022247921 555898422 /nfs/dbraw/zinc/89/84/22/555898422.db2.gz BLOLZECLAZIYPV-YADARESESA-N 0 0 482.602 3.861 40 0 JHABRN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022253297 555901579 /nfs/dbraw/zinc/90/15/79/555901579.db2.gz MNJTYGHUUCBPSE-UHFFFAOYSA-N 0 0 484.574 3.609 40 0 JHABRN COc1cc(C(=O)NC(C)(C)C)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022253860 555902346 /nfs/dbraw/zinc/90/23/46/555902346.db2.gz RILXKNMZJICJIS-UHFFFAOYSA-N 0 0 454.976 3.852 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(C(=O)OC)cc2)cc1C ZINC000022268540 555907634 /nfs/dbraw/zinc/90/76/34/555907634.db2.gz QILMOIOYSAPPCT-QHCPKHFHSA-N 0 0 496.585 3.709 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1C ZINC000022268606 555907826 /nfs/dbraw/zinc/90/78/26/555907826.db2.gz GAVADMVUTPCJGF-HSZRJFAPSA-N 0 0 482.602 3.608 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000022271231 555908940 /nfs/dbraw/zinc/90/89/40/555908940.db2.gz WAHITEYOCPXJSP-QHCPKHFHSA-N 0 0 472.994 3.945 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000022271579 555909481 /nfs/dbraw/zinc/90/94/81/555909481.db2.gz ZRLLOEXYLWSWJK-HSZRJFAPSA-N 0 0 484.574 3.631 40 0 JHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000022271582 555909506 /nfs/dbraw/zinc/90/95/06/555909506.db2.gz DXNLYBKUWCUTQT-QHCPKHFHSA-N 0 0 484.574 3.631 40 0 JHABRN COc1ccc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000022273737 555910418 /nfs/dbraw/zinc/91/04/18/555910418.db2.gz WLJSLJHBAVWXEX-UHFFFAOYSA-N 0 0 456.520 3.901 40 0 JHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2ccc(Br)cc2)cc1 ZINC000022276369 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JHABRN Cc1cccc(N(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2nccs2)c1C ZINC000013501568 555450393 /nfs/dbraw/zinc/45/03/93/555450393.db2.gz MIPCCZFHWGVKAW-UHFFFAOYSA-N 0 0 464.591 3.871 40 0 JHABRN CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2nccs2)cc1 ZINC000013501663 555450982 /nfs/dbraw/zinc/45/09/82/555450982.db2.gz ISPGLZAUIPETPA-UHFFFAOYSA-N 0 0 484.553 3.749 40 0 JHABRN CCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCC(=O)Nc1nccs1 ZINC000013501736 555451147 /nfs/dbraw/zinc/45/11/47/555451147.db2.gz JLCMQJBPQANUNY-UHFFFAOYSA-N 0 0 458.584 3.743 40 0 JHABRN COCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCC(=O)Nc1nccs1)C1CCCC1 ZINC000013501872 555451692 /nfs/dbraw/zinc/45/16/92/555451692.db2.gz DBDYGTSHRVJPCM-OAQYLSRUSA-N 0 0 493.029 3.790 40 0 JHABRN CCC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(C)cc1C ZINC000013502814 555457546 /nfs/dbraw/zinc/45/75/46/555457546.db2.gz WVNCXEKEXLDHCX-XMMPIXPASA-N 0 0 497.617 3.693 40 0 JHABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccc(F)cc2)c1 ZINC000013503689 555461523 /nfs/dbraw/zinc/46/15/23/555461523.db2.gz FYMYXNSLMZSJSO-UHFFFAOYSA-N 0 0 480.515 3.732 40 0 JHABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3ccc(F)cc3)CC2)c1C ZINC000013504373 555463529 /nfs/dbraw/zinc/46/35/29/555463529.db2.gz XIVZEWCHJKDWGQ-ISKFKSNPSA-N 0 0 450.562 3.520 40 0 JHABRN COc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013504957 555465252 /nfs/dbraw/zinc/46/52/52/555465252.db2.gz FOCDQLUYFVDIRF-VWLOTQADSA-N 0 0 458.541 3.781 40 0 JHABRN COc1ccc(Cn2nnnc2[C@@H](c2ccccc2Cl)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013505025 555465509 /nfs/dbraw/zinc/46/55/09/555465509.db2.gz KCISAALNSHXCCO-HSZRJFAPSA-N 0 0 492.967 3.524 40 0 JHABRN Cc1csc(NC(=O)CCC(=O)N(C[C@@H]2CCCO2)[C@H](C(=O)NC2CCCC2)c2ccccc2)n1 ZINC000013505628 555467298 /nfs/dbraw/zinc/46/72/98/555467298.db2.gz LBPYXSQZPGTFOO-URXFXBBRSA-N 0 0 498.649 3.978 40 0 JHABRN COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1nc(C)cs1 ZINC000013505649 555467568 /nfs/dbraw/zinc/46/75/68/555467568.db2.gz KJUITPBPHXPZKZ-UHFFFAOYSA-N 0 0 458.584 3.579 40 0 JHABRN O=C(CNC(=O)c1cccs1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000013506095 555469867 /nfs/dbraw/zinc/46/98/67/555469867.db2.gz YUQNKWHYNCNZLV-HSZRJFAPSA-N 0 0 495.557 3.633 40 0 JHABRN CC(C)CCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013506332 555471083 /nfs/dbraw/zinc/47/10/83/555471083.db2.gz PYLHLYPGVYMGQQ-QFIPXVFZSA-N 0 0 456.612 3.548 40 0 JHABRN O=C(CNC(=O)c1cccs1)N(CCc1ccccc1)[C@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013506350 555471128 /nfs/dbraw/zinc/47/11/28/555471128.db2.gz WMBGSIJDBVSTCU-VWLOTQADSA-N 0 0 490.629 3.744 40 0 JHABRN COc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 ZINC000013506574 555472344 /nfs/dbraw/zinc/47/23/44/555472344.db2.gz VUTCRUNFLCLORS-VWLOTQADSA-N 0 0 493.535 3.990 40 0 JHABRN CCc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000013506709 555473383 /nfs/dbraw/zinc/47/33/83/555473383.db2.gz KOUQVPXCRDRBQD-XMMPIXPASA-N 0 0 463.534 3.998 40 0 JHABRN O=C(CNC(=O)c1ccco1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506790 555473852 /nfs/dbraw/zinc/47/38/52/555473852.db2.gz GPMIDQAVWWRMRO-DEOSSOPVSA-N 0 0 463.509 3.982 40 0 JHABRN O=C(CNC(=O)c1ccco1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506988 555474871 /nfs/dbraw/zinc/47/48/71/555474871.db2.gz AEQFMIHOKFVFOI-DEOSSOPVSA-N 0 0 463.509 3.982 40 0 JHABRN CCCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 ZINC000013507163 555475231 /nfs/dbraw/zinc/47/52/31/555475231.db2.gz PLSQCSWSVITPER-DEOSSOPVSA-N 0 0 469.582 3.837 40 0 JHABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2cccnc2)cc1 ZINC000013507159 555475324 /nfs/dbraw/zinc/47/53/24/555475324.db2.gz ZRGQJMNSUFVFLH-VWLOTQADSA-N 0 0 490.560 3.636 40 0 JHABRN CCc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000013507289 555475716 /nfs/dbraw/zinc/47/57/16/555475716.db2.gz AHUOXKNTJLLDDD-RUZDIDTESA-N 0 0 474.561 3.800 40 0 JHABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000013507360 555476068 /nfs/dbraw/zinc/47/60/68/555476068.db2.gz AKQDFTYMLMRHMZ-XMMPIXPASA-N 0 0 460.534 3.546 40 0 JHABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2ccco2)c2cccnc2)c1 ZINC000013507914 555477246 /nfs/dbraw/zinc/47/72/46/555477246.db2.gz DVFZTXZWPBOPDQ-RUZDIDTESA-N 0 0 490.560 3.636 40 0 JHABRN CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@]1(C)CC(=O)N=C2C=CC=CN21)C1CCCCC1 ZINC000013563927 555498754 /nfs/dbraw/zinc/49/87/54/555498754.db2.gz IFVOXCRXXXMBCQ-WNCULLNHSA-N 0 0 477.609 3.672 40 0 JHABRN Cn1c(SCc2ccccc2)nnc1C1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000013565098 555500928 /nfs/dbraw/zinc/50/09/28/555500928.db2.gz KESRQSNLINPWKU-UHFFFAOYSA-N 0 0 479.606 3.697 40 0 JHABRN COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c(OC)c1OC ZINC000013567357 555504780 /nfs/dbraw/zinc/50/47/80/555504780.db2.gz PNGZVCYLGGTIOQ-HNNXBMFYSA-N 0 0 471.510 3.701 40 0 JHABRN COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)cc(OC)c1OC ZINC000013567386 555504905 /nfs/dbraw/zinc/50/49/05/555504905.db2.gz MKHZZSWNGZPHHW-OAHLLOKOSA-N 0 0 471.510 3.701 40 0 JHABRN COc1cccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)c1OC ZINC000013567510 555505274 /nfs/dbraw/zinc/50/52/74/555505274.db2.gz FKXSZIZZKCPBFM-MRXNPFEDSA-N 0 0 455.511 3.703 40 0 JHABRN Cn1c(SCc2ccc(Cl)cc2)nc(=O)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000013567500 555505282 /nfs/dbraw/zinc/50/52/82/555505282.db2.gz VHRBTSDVTJNAKC-HNNXBMFYSA-N 0 0 455.923 3.929 40 0 JHABRN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)c1 ZINC000013567513 555505290 /nfs/dbraw/zinc/50/52/90/555505290.db2.gz GHMXKPFYGCXZNI-KRWDZBQOSA-N 0 0 455.511 3.703 40 0 JHABRN COc1ccc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)c(OC)c1OC ZINC000013567569 555505450 /nfs/dbraw/zinc/50/54/50/555505450.db2.gz KZAAEMFAZFYFGH-HNNXBMFYSA-N 0 0 474.307 3.806 40 0 JHABRN O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)Nc1ccccc1Br ZINC000013572348 555510859 /nfs/dbraw/zinc/51/08/59/555510859.db2.gz OIGAYHXECZTDNC-UONOGXRCSA-N 0 0 478.437 3.687 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2cccc(Cl)c2)cc1 ZINC000019856234 555514582 /nfs/dbraw/zinc/51/45/82/555514582.db2.gz PVNHEPLDHVGQAV-UHFFFAOYSA-N 0 0 488.949 3.589 40 0 JHABRN COC(=O)c1cccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)c1C ZINC000019856392 555515352 /nfs/dbraw/zinc/51/53/52/555515352.db2.gz NFXMBKZGIQVGKJ-UHFFFAOYSA-N 0 0 482.558 3.933 40 0 JHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2cc(C)ccc2C)cc1 ZINC000019856640 555516852 /nfs/dbraw/zinc/51/68/52/555516852.db2.gz BTGJATWIFTXXCU-UHFFFAOYSA-N 0 0 466.559 3.852 40 0 JHABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000019856762 555517411 /nfs/dbraw/zinc/51/74/11/555517411.db2.gz MGPZSZOGVACKNY-UHFFFAOYSA-N 0 0 456.495 3.755 40 0 JHABRN CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000019856761 555517434 /nfs/dbraw/zinc/51/74/34/555517434.db2.gz HESZSHJCZUWHIB-UHFFFAOYSA-N 0 0 465.575 3.969 40 0 JHABRN CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000019856990 555518606 /nfs/dbraw/zinc/51/86/06/555518606.db2.gz SBYMJGPDAJKSNT-UHFFFAOYSA-N 0 0 493.994 3.789 40 0 JHABRN CCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929970 555547185 /nfs/dbraw/zinc/54/71/85/555547185.db2.gz NZPWBYICKOOFMB-OAHLLOKOSA-N 0 0 469.401 3.654 40 0 JHABRN O=C(NCc1ccc(F)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000019931046 555548221 /nfs/dbraw/zinc/54/82/21/555548221.db2.gz KYAHSJYVYIXSLF-OAQYLSRUSA-N 0 0 491.382 3.794 40 0 JHABRN COc1cccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019933877 555550904 /nfs/dbraw/zinc/55/09/04/555550904.db2.gz PYACUMFWENCSDX-UHFFFAOYSA-N 0 0 490.585 3.701 40 0 JHABRN COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1I ZINC000013647274 555551649 /nfs/dbraw/zinc/55/16/49/555551649.db2.gz XSBGVBCFDIAVOH-OAHLLOKOSA-N 0 0 473.332 3.881 40 0 JHABRN COc1ccc(CNC(=O)C[C@@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935834 555553166 /nfs/dbraw/zinc/55/31/66/555553166.db2.gz XKCLPAOOFUIVSX-DEOSSOPVSA-N 0 0 468.575 3.772 40 0 JHABRN Cc1cccc(N2CCN(C(=O)COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)c1C ZINC000019937872 555554629 /nfs/dbraw/zinc/55/46/29/555554629.db2.gz LYFFKXUPJIWMBD-UHFFFAOYSA-N 0 0 493.629 3.856 40 0 JHABRN CCOc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013668917 555558408 /nfs/dbraw/zinc/55/84/08/555558408.db2.gz ODMABMKUUDNMDY-UHFFFAOYSA-N 0 0 468.575 3.914 40 0 JHABRN CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1C ZINC000013669158 555558765 /nfs/dbraw/zinc/55/87/65/555558765.db2.gz DORZHMIHKOGLJP-AWEZNQCLSA-N 0 0 468.959 3.627 40 0 JHABRN Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000019941639 555560856 /nfs/dbraw/zinc/56/08/56/555560856.db2.gz BPNJWUQMZMHJPI-SANMLTNESA-N 0 0 499.619 3.864 40 0 JHABRN COc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000013670360 555561108 /nfs/dbraw/zinc/56/11/08/555561108.db2.gz MZWOZMSOHKBJAY-UHFFFAOYSA-N 0 0 468.575 3.648 40 0 JHABRN COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000013671150 555562569 /nfs/dbraw/zinc/56/25/69/555562569.db2.gz VEQKFPGRUFXPSD-GOSISDBHSA-N 0 0 466.559 3.877 40 0 JHABRN CS(=O)(=O)N(Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1Cl ZINC000013678109 555569210 /nfs/dbraw/zinc/56/92/10/555569210.db2.gz ACXYFHGRSDKSIP-INIZCTEOSA-N 0 0 457.379 3.868 40 0 JHABRN O=C(NCCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678546 555569748 /nfs/dbraw/zinc/56/97/48/555569748.db2.gz DWJFBRLOZQBUBZ-QFIPXVFZSA-N 0 0 456.951 3.655 40 0 JHABRN COC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000013678961 555570492 /nfs/dbraw/zinc/57/04/92/555570492.db2.gz JRIBPXSNSSGZPZ-NRFANRHFSA-N 0 0 486.933 3.722 40 0 JHABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(Br)c1 ZINC000013683864 555577930 /nfs/dbraw/zinc/57/79/30/555577930.db2.gz WMCNONUOEWUGGW-MRXNPFEDSA-N 0 0 461.356 3.938 40 0 JHABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000013685117 555578925 /nfs/dbraw/zinc/57/89/25/555578925.db2.gz XVLFFFRUSDOBBJ-LJQANCHMSA-N 0 0 465.575 3.745 40 0 JHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000020005301 555579381 /nfs/dbraw/zinc/57/93/81/555579381.db2.gz JTGYCWSADYLHIK-JOCHJYFZSA-N 0 0 468.575 3.849 40 0 JHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1C ZINC000009974570 555579663 /nfs/dbraw/zinc/57/96/63/555579663.db2.gz GVQUIMGNWHYPKH-QHCPKHFHSA-N 0 0 470.635 3.886 40 0 JHABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013686203 555579707 /nfs/dbraw/zinc/57/97/07/555579707.db2.gz OYWUSACHCRMZST-HSZRJFAPSA-N 0 0 480.590 3.503 40 0 JHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2SC)cc1OC ZINC000020005661 555579899 /nfs/dbraw/zinc/57/98/99/555579899.db2.gz 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FLNGVFAJOZVTQD-KRWDZBQOSA-N 0 0 470.547 3.761 40 0 JHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c1 ZINC000020022159 555599707 /nfs/dbraw/zinc/59/97/07/555599707.db2.gz UGKKHJOKAYHCLO-HNNXBMFYSA-N 0 0 469.401 3.702 40 0 JHABRN CC(C)NS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000020023623 555601495 /nfs/dbraw/zinc/60/14/95/555601495.db2.gz FUPNSKZFFZLGMC-HNNXBMFYSA-N 0 0 453.402 3.946 40 0 JHABRN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 ZINC000020024815 555602921 /nfs/dbraw/zinc/60/29/21/555602921.db2.gz OJIYIJVIKSLJDP-JOCHJYFZSA-N 0 0 450.560 3.981 40 0 JHABRN CCCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1OC ZINC000020025020 555603199 /nfs/dbraw/zinc/60/31/99/555603199.db2.gz FITTVFSQELTLHP-ZDUSSCGKSA-N 0 0 455.374 3.637 40 0 JHABRN COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1OC ZINC000020025106 555603203 /nfs/dbraw/zinc/60/32/03/555603203.db2.gz SHTFACCBGDVRKR-QGZVFWFLSA-N 0 0 476.595 3.768 40 0 JHABRN 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DLGVMPVCKFKYIQ-IAGOWNOFSA-N 0 0 470.403 3.707 40 0 JHABRN CC(=O)c1cccc(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640428 556462568 /nfs/dbraw/zinc/46/25/68/556462568.db2.gz PHTWGWRMMOEFRS-MOPGFXCFSA-N 0 0 452.960 3.957 40 0 JHABRN COc1ccc(OC)c(N2C(SCc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640954 556464891 /nfs/dbraw/zinc/46/48/91/556464891.db2.gz PHBCEXVFIPUVSV-WMZOPIPTSA-N 0 0 452.985 3.632 40 0 JHABRN COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)NCc4ccccn4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000067898880 560049617 /nfs/dbraw/zinc/04/96/17/560049617.db2.gz DPDRROPTWLLZAQ-BEFSUNGCSA-N 0 0 493.648 3.964 40 0 biogenic,in-vitro JHABRN Cn1ccnc1CN1C[C@@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 ZINC000096111966 560061110 /nfs/dbraw/zinc/06/11/10/560061110.db2.gz CTCSUEXPEGLLBW-ICSRJNTNSA-N 0 0 472.467 3.887 40 0 biogenic,in-vitro JHABRN O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3cccnc3)[C@@H]2CO)cc1)c1ccc(C(F)(F)F)cc1 ZINC000072321248 560076722 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/nfs/dbraw/zinc/13/82/72/570138272.db2.gz RQLMGUNPNMDPLL-MHZLTWQESA-N 0 0 472.593 3.545 40 0 JHABRN CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)NC[C@@H]3c2ccc(F)cc2)c(OCC(N)=O)c1 ZINC000257301237 570138817 /nfs/dbraw/zinc/13/88/17/570138817.db2.gz RXORBVBCAABYJU-HSZRJFAPSA-N 0 0 481.612 3.873 40 0 JHABRN COCC(=O)N1CCC(C)(C(=O)N2CCC[C@H](c3cncc(Oc4cccc(C)c4)n3)C2)CC1 ZINC000257305439 570140026 /nfs/dbraw/zinc/14/00/26/570140026.db2.gz SPZKVGFOOCYZOU-FQEVSTJZSA-N 0 0 466.582 3.558 40 0 JHABRN CC(=O)N[C@@H](C(=O)N1CCC2(CC1)CC/C=C(\C)CCOc1ccccc1C(=O)NC2)C(C)C ZINC000257305958 570140093 /nfs/dbraw/zinc/14/00/93/570140093.db2.gz SSGCURHQNBISLQ-DHLYGQESSA-N 0 0 469.626 3.695 40 0 JHABRN COc1ccccc1Cc1ccc(C(=O)N2CCC[C@H](c3nccnc3-c3cncn3C)C2)cn1 ZINC000257308213 570140813 /nfs/dbraw/zinc/14/08/13/570140813.db2.gz TVWBMDBMQFGYHI-NRFANRHFSA-N 0 0 468.561 3.891 40 0 JHABRN COCCN1C(=O)S/C(=C/c2cc(Br)c(OC)c(Br)c2)C1=O ZINC000409134094 570141522 /nfs/dbraw/zinc/14/15/22/570141522.db2.gz 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IZPGSGLGKJGEBS-OAHLLOKOSA-N 0 0 457.335 3.629 40 0 JHABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)cc1C ZINC000028210228 556321472 /nfs/dbraw/zinc/32/14/72/556321472.db2.gz DSNBAAVDJVBHGS-QFIPXVFZSA-N 0 0 478.570 3.589 40 0 JHABRN O=C(Nc1ccccc1Cl)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019350023 556343229 /nfs/dbraw/zinc/34/32/29/556343229.db2.gz GTLSNRGAMVMKAV-UHFFFAOYSA-N 0 0 498.967 3.667 40 0 JHABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000028875607 556343296 /nfs/dbraw/zinc/34/32/96/556343296.db2.gz NDOBJERWFUKIGY-UHFFFAOYSA-N 0 0 462.015 3.785 40 0 JHABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CCc2ccccc2C1)OCO3 ZINC000019375344 556347452 /nfs/dbraw/zinc/34/74/52/556347452.db2.gz XNGCHHSUMHUQAQ-XMMPIXPASA-N 0 0 470.533 3.506 40 0 JHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019499642 556349598 /nfs/dbraw/zinc/34/95/98/556349598.db2.gz OMEPKZYYLAQYNW-DEOSSOPVSA-N 0 0 471.609 3.880 40 0 JHABRN COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000019560115 556354080 /nfs/dbraw/zinc/35/40/80/556354080.db2.gz XKYQUQDMGJYQSS-XMMPIXPASA-N 0 0 476.606 3.712 40 0 JHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)cc2c1 ZINC000019563382 556354084 /nfs/dbraw/zinc/35/40/84/556354084.db2.gz GULVCTIJDZBUMV-DEOSSOPVSA-N 0 0 456.550 3.786 40 0 JHABRN COc1cccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)c1OC ZINC000019567481 556354413 /nfs/dbraw/zinc/35/44/13/556354413.db2.gz QSBKUODRHKYRKJ-AREMUKBSSA-N 0 0 484.604 3.845 40 0 JHABRN COc1cccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000029878794 556359655 /nfs/dbraw/zinc/35/96/55/556359655.db2.gz JLQVRRNGKRIGHF-UHFFFAOYSA-N 0 0 454.548 3.922 40 0 JHABRN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Cl ZINC000030847220 556375746 /nfs/dbraw/zinc/37/57/46/556375746.db2.gz PALZYUODKCXEFD-UHFFFAOYSA-N 0 0 457.939 3.894 40 0 JHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)cc1 ZINC000030859831 556381330 /nfs/dbraw/zinc/38/13/30/556381330.db2.gz CMLXJHUYMFWMGS-UHFFFAOYSA-N 0 0 476.558 3.636 40 0 JHABRN COc1ccc(N(CCCC(=O)N(C)Cc2ccccc2OC)S(C)(=O)=O)cc1Cl ZINC000030868938 556384035 /nfs/dbraw/zinc/38/40/35/556384035.db2.gz SQKWXWAGOWXGFL-UHFFFAOYSA-N 0 0 454.976 3.562 40 0 JHABRN CCOC(=O)c1cc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)ccc1Cl ZINC000030869315 556384508 /nfs/dbraw/zinc/38/45/08/556384508.db2.gz LCTHSXPREBRSIC-UHFFFAOYSA-N 0 0 459.351 3.883 40 0 JHABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 ZINC000019818199 556385189 /nfs/dbraw/zinc/38/51/89/556385189.db2.gz GXDITEKDSYOWRX-YADHBBJMSA-N 0 0 451.523 3.912 40 0 JHABRN CCOc1cccc(CNC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000030872296 556385454 /nfs/dbraw/zinc/38/54/54/556385454.db2.gz FANQLNPHVMWKSV-UHFFFAOYSA-N 0 0 454.976 3.610 40 0 JHABRN Cc1cc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCc3ccccc3)cc2c1 ZINC000019823241 556393276 /nfs/dbraw/zinc/39/32/76/556393276.db2.gz LVHGQPLKGTYVKD-UHFFFAOYSA-N 0 0 492.689 3.786 40 0 JHABRN Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1C ZINC000019823434 556393702 /nfs/dbraw/zinc/39/37/02/556393702.db2.gz XVNFJTNFGCLFTO-NRFANRHFSA-N 0 0 478.662 3.915 40 0 JHABRN O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc2c(c1)OCO2 ZINC000032127260 556431686 /nfs/dbraw/zinc/43/16/86/556431686.db2.gz WHADNOGFQDKEED-UHFFFAOYSA-N 0 0 451.895 3.929 40 0 JHABRN Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C)c(C)c2)c(C)c1 ZINC000032639976 556459335 /nfs/dbraw/zinc/45/93/35/556459335.db2.gz YMGNFJFILLQULH-LEWJYISDSA-N 0 0 457.621 3.634 40 0 JHABRN Cc1ccc(N2C(SCC(=O)Nc3cc(C)ccc3C)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640266 556461627 /nfs/dbraw/zinc/46/16/27/556461627.db2.gz AFDHXOLLYNDEMD-FPOVZHCZSA-N 0 0 457.621 3.634 40 0 JHABRN Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000032640366 556462225 /nfs/dbraw/zinc/46/22/25/556462225.db2.gz VFWKMZVRTGDFBA-WMZOPIPTSA-N 0 0 467.975 3.501 40 0 JHABRN Cc1ccc(N2C(SCC(=O)Nc3cccc(Cl)c3C)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640346 556462236 /nfs/dbraw/zinc/46/22/36/556462236.db2.gz LFZUFRSIIHFVTB-PMACEKPBSA-N 0 0 478.039 3.979 40 0 JHABRN Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000032640368 556462531 /nfs/dbraw/zinc/46/25/31/556462531.db2.gz VFWKMZVRTGDFBA-FUHWJXTLSA-N 0 0 467.975 3.501 40 0 JHABRN Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000032640367 556462584 /nfs/dbraw/zinc/46/25/84/556462584.db2.gz VFWKMZVRTGDFBA-SJLPKXTDSA-N 0 0 467.975 3.501 40 0 JHABRN O=S1(=O)C[C@@H]2N=C(SCCOc3ccccc3)N(c3ccc(Br)cc3F)[C@@H]2C1 ZINC000032640613 556463441 /nfs/dbraw/zinc/46/34/41/556463441.db2.gz ZDQNTAUOXUCWHD-FUHWJXTLSA-N 0 0 485.400 3.742 40 0 JHABRN CC(=O)c1cccc(N2C(SCc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640870 556464349 /nfs/dbraw/zinc/46/43/49/556464349.db2.gz HWGUUTKVPJVHIX-OALUTQOASA-N 0 0 479.421 3.927 40 0 JHABRN O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccccc3)[C@@H]2C1 ZINC000032640892 556464352 /nfs/dbraw/zinc/46/43/52/556464352.db2.gz NKQRMEBCMVSOMP-DLBZAZTESA-N 0 0 455.374 3.863 40 0 JHABRN COc1ccccc1N1C(SCc2ccc(Br)cc2F)=N[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032640893 556464503 /nfs/dbraw/zinc/46/45/03/556464503.db2.gz CEDDNCMVIAXYJI-DOTOQJQBSA-N 0 0 485.400 3.872 40 0 JHABRN CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4[nH]c3n2)c(C(=O)OCC)c1C ZINC000032699898 556472028 /nfs/dbraw/zinc/47/20/28/556472028.db2.gz WWWHUBIBOZXGSA-UHFFFAOYSA-N 0 0 499.574 3.960 40 0 JHABRN CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC(N)=O ZINC000032751970 556485490 /nfs/dbraw/zinc/48/54/90/556485490.db2.gz YSSWOPUPLCBKEN-NTUHNPAUSA-N 0 0 478.730 3.911 40 0 JHABRN CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC(N)=O ZINC000032752064 556485560 /nfs/dbraw/zinc/48/55/60/556485560.db2.gz HTCCMWUWROKDKC-OVCLIPMQSA-N 0 0 458.312 3.566 40 0 JHABRN CO[C@@H]1c2c(c3c(c4c2OC(C)(C)C=C4)O[C@@](OC)(c2ccc(O)cc2O)C3=O)O[C@H]1C(C)(C)O ZINC000225460725 560043426 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Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCCc4ccccc43)cc2c1 ZINC000008586084 562940797 /nfs/dbraw/zinc/94/07/97/562940797.db2.gz VLCLXCAEFDBWPD-RDPSFJRHSA-N 0 0 456.550 3.544 40 0 JHABRN O=C(CNC(=O)c1cccs1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000008687120 562953291 /nfs/dbraw/zinc/95/32/91/562953291.db2.gz KXNAXSSFWQSRDP-XUZZJYLKSA-N 0 0 483.634 3.676 40 0 JHABRN O=C(NCc1ccc(F)cc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299329 565094472 /nfs/dbraw/zinc/09/44/72/565094472.db2.gz DZQMFZHHOQETFT-CKUXNOBLSA-N 0 0 465.598 3.736 40 0 biogenic,in-vitro JHABRN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc5nsnc5c4)c3)nn12 ZINC000057313617 569596732 /nfs/dbraw/zinc/59/67/32/569596732.db2.gz QBIBZYLLKFBXGK-UHFFFAOYSA-N 0 0 466.577 3.601 40 0 JHABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000057316130 569597423 /nfs/dbraw/zinc/59/74/23/569597423.db2.gz PMPHGVUABLLZCT-UHFFFAOYSA-N 0 0 473.639 3.862 40 0 JHABRN 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NHISFMOTNPKYHR-UHFFFAOYSA-N 0 0 458.580 3.906 40 0 JHABRN COc1ccccc1N(CC(=O)NCCSCc1c(Cl)cccc1Cl)S(C)(=O)=O ZINC000409028686 570105300 /nfs/dbraw/zinc/10/53/00/570105300.db2.gz QEJNPOAEWTXCDN-UHFFFAOYSA-N 0 0 477.435 3.818 40 0 JHABRN COc1ccc2[nH]cc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCN(c4ccccn4)CC3)c2c1 ZINC000254769815 570106196 /nfs/dbraw/zinc/10/61/96/570106196.db2.gz DDWUHQUKKOAPSW-KOEQRZSOSA-N 0 0 481.556 3.691 40 0 JHABRN O=C(COc1cccc2c1ccn2Cc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000257199262 570107541 /nfs/dbraw/zinc/10/75/41/570107541.db2.gz XPXZDTOWQUEPMS-FCHUYYIVSA-N 0 0 453.542 3.876 40 0 JHABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccccc3OC(C)C)sc2=N1 ZINC000409041780 570107609 /nfs/dbraw/zinc/10/76/09/570107609.db2.gz JSUGVSGJLNKXJH-JDCXBEBJSA-N 0 0 462.571 3.586 40 0 JHABRN CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccc(Cl)c(N4CCCCC4)c3)CCN2C)c1 ZINC000257200059 570107731 /nfs/dbraw/zinc/10/77/31/570107731.db2.gz ABWCGZRYALPOOV-HSZRJFAPSA-N 0 0 455.002 3.819 40 0 JHABRN Cc1[nH]c2ccc(C(=O)N3CC[C@H](Oc4ccccc4)[C@@H](CC(=O)N4CCN(C)CC4)C3)cc2c1C ZINC000257200466 570107804 /nfs/dbraw/zinc/10/78/04/570107804.db2.gz ADLXFCQOTIFLMH-HOFKKMOUSA-N 0 0 488.632 3.859 40 0 JHABRN COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC ZINC000409044625 570108421 /nfs/dbraw/zinc/10/84/21/570108421.db2.gz HAXUSOYMLBNUJB-UHFFFAOYSA-N 0 0 459.303 3.799 40 0 JHABRN CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257205974 570109696 /nfs/dbraw/zinc/10/96/96/570109696.db2.gz BBIOIGUXJXCAQN-DHLKQENFSA-N 0 0 468.569 3.897 40 0 JHABRN COCC(=O)N1CCC(C)(C(=O)N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000257211380 570111466 /nfs/dbraw/zinc/11/14/66/570111466.db2.gz BYQIPVJJYZVXBT-QHCPKHFHSA-N 0 0 453.558 3.750 40 0 JHABRN CCn1c(CNC(=O)COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000409056504 570111952 /nfs/dbraw/zinc/11/19/52/570111952.db2.gz GTUMSEOJMOUKFT-UHFFFAOYSA-N 0 0 481.622 3.958 40 0 JHABRN CN(C(=O)Cc1ccc(F)cc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257214314 570112343 /nfs/dbraw/zinc/11/23/43/570112343.db2.gz CLOJZUBBNSJCRC-XTMKUOSQSA-N 0 0 455.570 3.824 40 0 JHABRN CC1(C)Oc2cc(O)ccc2[C@H]2O[C@H]3CC[N@H+](Cc4ccccc4OCC(=O)[O-])C[C@@H]3C[C@@H]21 ZINC000257218404 570113615 /nfs/dbraw/zinc/11/36/15/570113615.db2.gz DDACXGLGGPCSDU-OHQXTMKLSA-N 0 0 453.535 3.995 40 0 JHABRN Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)NCc3ccccc3)n2C)C(C)C)c1 ZINC000409059946 570113669 /nfs/dbraw/zinc/11/36/69/570113669.db2.gz SRVAGUAGMIULSE-OAQYLSRUSA-N 0 0 451.596 3.659 40 0 JHABRN O=C(c1cccc(OCCN2CCOCC2)c1)N1CCC[C@@H](Cc2cccc3n[nH]cc32)CC1 ZINC000257218523 570113786 /nfs/dbraw/zinc/11/37/86/570113786.db2.gz DDLBYUGXXPGDNX-OAQYLSRUSA-N 0 0 462.594 3.759 40 0 JHABRN CC[C@@H](C)NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409060572 570113965 /nfs/dbraw/zinc/11/39/65/570113965.db2.gz URWGDGGTVDWGNC-MRXNPFEDSA-N 0 0 453.402 3.863 40 0 JHABRN CCOc1ccc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N2CC(=O)OC)cc1OC ZINC000409061137 570114354 /nfs/dbraw/zinc/11/43/54/570114354.db2.gz VZWCKLVHCJAALW-UYRXBGFRSA-N 0 0 454.548 3.804 40 0 JHABRN COCC(=O)N1CCC(C)(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3C)C2)CC1 ZINC000257224195 570115249 /nfs/dbraw/zinc/11/52/49/570115249.db2.gz FARVKMJZQMRAID-FQEVSTJZSA-N 0 0 466.582 3.558 40 0 JHABRN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)c3cccc(-c4cnn(C)c4)n3)C2)cc1 ZINC000257225387 570115659 /nfs/dbraw/zinc/11/56/59/570115659.db2.gz FFYZVXIUGCAWOC-GOSISDBHSA-N 0 0 469.549 3.550 40 0 JHABRN CC(C)CN1C(=O)CCC[C@]12CN(C(=O)c1ccc(-n3cccn3)nc1)C[C@H]2c1ccccc1 ZINC000257226382 570116041 /nfs/dbraw/zinc/11/60/41/570116041.db2.gz FKKZTNUNDHXNIK-WNCULLNHSA-N 0 0 457.578 3.914 40 0 JHABRN O=C(C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2ccc(F)cc2)C1)N1CCOCC1 ZINC000257229441 570116817 /nfs/dbraw/zinc/11/68/17/570116817.db2.gz FYDJVEJFAJZBLP-RUZDIDTESA-N 0 0 458.505 3.515 40 0 JHABRN Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 ZINC000257230083 570117106 /nfs/dbraw/zinc/11/71/06/570117106.db2.gz GATJILQCRLZEBB-JOCHJYFZSA-N 0 0 452.942 3.650 40 0 JHABRN COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCCN3CCOCC3)CCOCC2)cc1 ZINC000257231711 570117549 /nfs/dbraw/zinc/11/75/49/570117549.db2.gz GHXIHVDVQXYXQW-UHFFFAOYSA-N 0 0 470.585 3.679 40 0 JHABRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1O ZINC000409069513 570117720 /nfs/dbraw/zinc/11/77/20/570117720.db2.gz LDWCWOHQARZJJK-AWNIVKPZSA-N 0 0 470.650 3.756 40 0 JHABRN CC(C)(NC(=O)Cc1cccc(F)c1)C(=O)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257239618 570120051 /nfs/dbraw/zinc/12/00/51/570120051.db2.gz HQDJHUAUPZXAMX-OAQYLSRUSA-N 0 0 463.553 3.529 40 0 JHABRN CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(I)c1O ZINC000409080276 570121308 /nfs/dbraw/zinc/12/13/08/570121308.db2.gz MRRSVZXXGSRUDN-ZROIWOOFSA-N 0 0 472.348 3.786 40 0 JHABRN O=C(N1CC[C@]2(C1)CN(c1cccc(Cl)c1)C(=O)CO2)C1(Cc2ccccc2)CCOCC1 ZINC000257247144 570122152 /nfs/dbraw/zinc/12/21/52/570122152.db2.gz IXRVGKFYUVMXLO-SANMLTNESA-N 0 0 468.981 3.714 40 0 JHABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000257252190 570123695 /nfs/dbraw/zinc/12/36/95/570123695.db2.gz JTWCVXLSGCCONC-FQEVSTJZSA-N 0 0 457.379 3.719 40 0 JHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)cc1 ZINC000409088352 570123884 /nfs/dbraw/zinc/12/38/84/570123884.db2.gz XDUJBBSZEWMQKT-QFVBLGFASA-N 0 0 487.606 3.944 40 0 JHABRN COc1ccccc1[C@@H]1CN(CC(=O)NC(c2ccccc2)c2ccccc2)CCN1C(C)=O ZINC000257252820 570124033 /nfs/dbraw/zinc/12/40/33/570124033.db2.gz JWFHGQDJQVTWOK-VWLOTQADSA-N 0 0 457.574 3.806 40 0 JHABRN COc1ccc(C2(C(=O)N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)O4)CCOCC2)cc1 ZINC000257254471 570124486 /nfs/dbraw/zinc/12/44/86/570124486.db2.gz KDFFUVDEUNHKQG-XMMPIXPASA-N 0 0 454.498 3.510 40 0 JHABRN O=C(c1ccccc1OCCN1CCCC1=O)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257259313 570126138 /nfs/dbraw/zinc/12/61/38/570126138.db2.gz KXUIFYRYPQKYLJ-FQEVSTJZSA-N 0 0 462.546 3.765 40 0 JHABRN Cc1nonc1COc1ccccc1C(=O)N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257259785 570126292 /nfs/dbraw/zinc/12/62/92/570126292.db2.gz KZZIMRSNKZURDS-FQEVSTJZSA-N 0 0 458.518 3.837 40 0 JHABRN CCCn1c2ccc(NC(=O)CN3CCN(C)[C@@H](c4ccc(OC(C)C)cc4)C3)cc2oc1=O ZINC000257265252 570128073 /nfs/dbraw/zinc/12/80/73/570128073.db2.gz LXWVNASVZUQBJF-HSZRJFAPSA-N 0 0 466.582 3.719 40 0 JHABRN O=C(COc1ccccc1F)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257268804 570129274 /nfs/dbraw/zinc/12/92/74/570129274.db2.gz MNGQVOVISLJRQE-REWPJTCUSA-N 0 0 454.542 3.903 40 0 JHABRN Cc1cc(I)ccc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000409109714 570131693 /nfs/dbraw/zinc/13/16/93/570131693.db2.gz JSBSKBNIXXKXAD-UHFFFAOYSA-N 0 0 492.766 3.966 40 0 JHABRN COc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cc1OCc1ccccn1 ZINC000257281492 570133201 /nfs/dbraw/zinc/13/32/01/570133201.db2.gz OPLVLLFKCQJHFK-FQEVSTJZSA-N 0 0 472.545 3.877 40 0 JHABRN COc1ccccc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1 ZINC000257283292 570133556 /nfs/dbraw/zinc/13/35/56/570133556.db2.gz OXROHGVUJFUPBX-UHFFFAOYSA-N 0 0 486.996 3.899 40 0 JHABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000409116360 570134264 /nfs/dbraw/zinc/13/42/64/570134264.db2.gz NNBREIYGJJAASD-GOSISDBHSA-N 0 0 481.574 3.591 40 0 JHABRN O=C(c1cccc(-c2cncnc2)n1)N1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257288113 570134993 /nfs/dbraw/zinc/13/49/93/570134993.db2.gz PSWUKNWDBVVBSW-FGCOXFRFSA-N 0 0 459.525 3.562 40 0 JHABRN O=C(c1ccnc(N2CCOCC2)c1)N1CCC2(CO[C@@H](Cc3ccc(Cl)cc3)C2)CC1 ZINC000257287816 570134994 /nfs/dbraw/zinc/13/49/94/570134994.db2.gz PRQCFJDWHVLGBB-QFIPXVFZSA-N 0 0 455.986 3.826 40 0 JHABRN Cc1cccc(C2(C(=O)N3CC[C@]4(C3)CN(c3cccc(Cl)c3)C(=O)CO4)CCOCC2)c1 ZINC000257290379 570135689 /nfs/dbraw/zinc/13/56/89/570135689.db2.gz QCTIDRXZAVYCLO-VWLOTQADSA-N 0 0 468.981 3.731 40 0 JHABRN Cc1n[nH]c(C)c1Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3ccnc4ccncc43)C2)cc1 ZINC000257291022 570135808 /nfs/dbraw/zinc/13/58/08/570135808.db2.gz QFGOGBHCCGNNBF-NDEPHWFRSA-N 0 0 484.604 3.664 40 0 JHABRN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257290978 570135862 /nfs/dbraw/zinc/13/58/62/570135862.db2.gz QFCAIWAZOKNUFW-SANMLTNESA-N 0 0 465.525 3.970 40 0 JHABRN COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H](CC(C)C)NC(C)=O)CC[C@H]3O[C@@H]21 ZINC000257292176 570136102 /nfs/dbraw/zinc/13/61/02/570136102.db2.gz QKHYVVNYGIYLPO-CCMOONMYSA-N 0 0 458.599 3.712 40 0 JHABRN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)n2)n[nH]1 ZINC000257295164 570137041 /nfs/dbraw/zinc/13/70/41/570137041.db2.gz QXGCAINSCVZANS-IBGZPJMESA-N 0 0 484.649 3.583 40 0 JHABRN CC1(C(=O)N2CCC[C@@H]2c2ccnc(-c3cccc(Cl)c3)n2)CCN(S(C)(=O)=O)CC1 ZINC000257299624 570138378 /nfs/dbraw/zinc/13/83/78/570138378.db2.gz RQVDQXUYWCGMNK-LJQANCHMSA-N 0 0 463.003 3.522 40 0 JHABRN CCCN1C(=O)S/C(=C\c2cn(CC(=O)NC[C@H]3CCCO3)c3c2cccc3CC)C1=O ZINC000409128320 570139068 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527298108 /nfs/dbraw/zinc/29/81/08/527298108.db2.gz NPRJZWNMPRVQFL-WMZHIEFXSA-N 0 0 491.551 3.817 40 0 biogenic,in-vitro JHABRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000044900245 527408691 /nfs/dbraw/zinc/40/86/91/527408691.db2.gz XZNYKMSWYLICDM-UHFFFAOYSA-N 0 0 469.607 3.927 40 0 JHABRN CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccc(F)c3)n2)cc1 ZINC000000797087 553782683 /nfs/dbraw/zinc/78/26/83/553782683.db2.gz KZNABMDRVFYWOY-UHFFFAOYSA-N 0 0 460.469 3.769 40 0 JHABRN CCOc1ccc(NC(=O)Cn2nnnc2-c2ccccc2NC(=O)CCc2ccccc2)cc1 ZINC000000799978 553783619 /nfs/dbraw/zinc/78/36/19/553783619.db2.gz CQIDQWOIPFNXRR-UHFFFAOYSA-N 0 0 470.533 3.949 40 0 JHABRN COc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000870018 553808492 /nfs/dbraw/zinc/80/84/92/553808492.db2.gz ROUHZKGWBWMHHF-UHFFFAOYSA-N 0 0 470.547 3.855 40 0 JHABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 ZINC000000880730 553817458 /nfs/dbraw/zinc/81/74/58/553817458.db2.gz 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ZINC000001289900 553940342 /nfs/dbraw/zinc/94/03/42/553940342.db2.gz RCQWCXFESZZVDE-CYBMUJFWSA-N 0 0 451.306 3.927 40 0 JHABRN COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 ZINC000001289444 553940415 /nfs/dbraw/zinc/94/04/15/553940415.db2.gz IHDIVDAAUYKAOI-GFCCVEGCSA-N 0 0 467.305 3.545 40 0 JHABRN COc1ccccc1N1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccc(C)c(C)c2)CC1 ZINC000001346417 553955505 /nfs/dbraw/zinc/95/55/05/553955505.db2.gz NMJMNMHISVQWRS-UHFFFAOYSA-N 0 0 488.617 3.882 40 0 JHABRN Cc1nc2sc3c(c2c(=O)n1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)CCCC3 ZINC000002780299 554341781 /nfs/dbraw/zinc/34/17/81/554341781.db2.gz BQKPQGOWPUCSEV-UHFFFAOYSA-N 0 0 451.474 3.508 40 0 JHABRN O=C(Nc1nnc(CCOCCc2nnc(NC(=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000003209252 554431408 /nfs/dbraw/zinc/43/14/08/554431408.db2.gz MMPFGMPZBLVZLG-UHFFFAOYSA-N 0 0 480.575 3.696 40 0 JHABRN CCOc1ccc(NC(=S)N(CCCO)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000006089920 554504158 /nfs/dbraw/zinc/50/41/58/554504158.db2.gz GOQJRIHYXCEXNO-UHFFFAOYSA-N 0 0 471.579 3.525 40 0 JHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCC[C@@H](C)C3)cc2c1 ZINC000006283152 554526386 /nfs/dbraw/zinc/52/63/86/554526386.db2.gz YGCNNMGUUPFIAT-MWTRTKDXSA-N 0 0 462.529 3.532 40 0 JHABRN COCCCNC(=S)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006444214 554538283 /nfs/dbraw/zinc/53/82/83/554538283.db2.gz MENQVVGMIRDGEB-UHFFFAOYSA-N 0 0 467.591 3.521 40 0 JHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462014 554542719 /nfs/dbraw/zinc/54/27/19/554542719.db2.gz HWGVHUDUZUWRCC-HXUWFJFHSA-N 0 0 497.596 3.652 40 0 JHABRN CCCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000006481497 554545504 /nfs/dbraw/zinc/54/55/04/554545504.db2.gz HGEMKBUAJGERLV-MRXNPFEDSA-N 0 0 496.008 3.881 40 0 JHABRN CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 ZINC000006501035 554547273 /nfs/dbraw/zinc/54/72/73/554547273.db2.gz WGERQWPANSXPKE-QFIPXVFZSA-N 0 0 494.596 3.506 40 0 JHABRN CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccccc1OCC ZINC000006501335 554547654 /nfs/dbraw/zinc/54/76/54/554547654.db2.gz NKIHXBKAPCALKN-LJQANCHMSA-N 0 0 482.585 3.757 40 0 JHABRN O=C(Cc1cccs1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)C1 ZINC000006529977 554549208 /nfs/dbraw/zinc/54/92/08/554549208.db2.gz FOVKLWYIDJLBDW-OAHLLOKOSA-N 0 0 468.970 3.639 40 0 JHABRN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccncc3)n1C)CCCC2 ZINC000006599696 554554578 /nfs/dbraw/zinc/55/45/78/554554578.db2.gz ADJOOTDKDWCPCW-UHFFFAOYSA-N 0 0 457.581 3.725 40 0 JHABRN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccccc4C)c(=O)n2C3)cc1 ZINC000008297480 554565115 /nfs/dbraw/zinc/56/51/15/554565115.db2.gz WAAZOYAFVWMIEP-RBUKOAKNSA-N 0 0 450.560 3.640 40 0 biogenic,in-vitro JHABRN COc1ccc(CCNS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1OC ZINC000008810642 554690900 /nfs/dbraw/zinc/69/09/00/554690900.db2.gz ZHXMKNWREBLVSL-UHFFFAOYSA-N 0 0 476.501 3.755 40 0 JHABRN 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ZINC000013150642 555356022 /nfs/dbraw/zinc/35/60/22/555356022.db2.gz AGUBXZBUIISUJS-QFIPXVFZSA-N 0 0 494.577 3.611 40 0 JHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000013150848 555356889 /nfs/dbraw/zinc/35/68/89/555356889.db2.gz GETXBZAZRSWMCM-XMMPIXPASA-N 0 0 492.601 3.715 40 0 JHABRN O=C(CNC(=O)c1cccs1)N(c1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000013150853 555356908 /nfs/dbraw/zinc/35/69/08/555356908.db2.gz IIZUBQJEECVBQE-QHCPKHFHSA-N 0 0 462.575 3.706 40 0 JHABRN COCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000013151197 555358807 /nfs/dbraw/zinc/35/88/07/555358807.db2.gz NGOYRBSCNCGKMD-HSZRJFAPSA-N 0 0 490.622 3.592 40 0 JHABRN CCc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000013465205 555401608 /nfs/dbraw/zinc/40/16/08/555401608.db2.gz IXMZIFFMAYQTSA-UHFFFAOYSA-N 0 0 464.635 3.930 40 0 JHABRN CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498943 555426269 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MKPZHZMWSRUVMP-UHFFFAOYSA-N 0 0 453.499 3.527 40 0 JHABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C ZINC000016282818 556132527 /nfs/dbraw/zinc/13/25/27/556132527.db2.gz QBBFVYMQNFBFRA-UHFFFAOYSA-N 0 0 452.576 3.853 40 0 JHABRN CCC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024186 556213973 /nfs/dbraw/zinc/21/39/73/556213973.db2.gz NBUWHRUSLCAHEF-MHECFPHRSA-N 0 0 481.572 3.624 40 0 JHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013028503 556222183 /nfs/dbraw/zinc/22/21/83/556222183.db2.gz GGIMEMPWSJLHGW-VWLOTQADSA-N 0 0 457.534 3.853 40 0 JHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013031827 556229285 /nfs/dbraw/zinc/22/92/85/556229285.db2.gz MFALZJTVPFORQX-SANMLTNESA-N 0 0 486.620 3.887 40 0 JHABRN COc1cc2cc(CN(Cc3nnnn3CCc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000013033642 556232186 /nfs/dbraw/zinc/23/21/86/556232186.db2.gz VOAIMBWPEOPJLW-UHFFFAOYSA-N 0 0 488.592 3.719 40 0 JHABRN CSc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C(=O)N1CCOCC1 ZINC000026117740 556247241 /nfs/dbraw/zinc/24/72/41/556247241.db2.gz WHSBLDBCXCGIJI-UHFFFAOYSA-N 0 0 489.388 3.583 40 0 JHABRN Cc1c(NC(=O)c2cc(C)cc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000026780081 556262197 /nfs/dbraw/zinc/26/21/97/556262197.db2.gz HKMSILIMMOKKNF-UHFFFAOYSA-N 0 0 490.585 3.870 40 0 JHABRN COc1ccc(-c2nn(-c3ccccc3)cc2CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000027516706 556282474 /nfs/dbraw/zinc/28/24/74/556282474.db2.gz VHUTUAKDVHZIIN-UHFFFAOYSA-N 0 0 476.558 3.985 40 0 JHABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)N(C(=O)c1ccco1)CC2 ZINC000013086003 556285534 /nfs/dbraw/zinc/28/55/34/556285534.db2.gz XGUGCLOAMRYNBS-DEOSSOPVSA-N 0 0 474.469 3.655 40 0 JHABRN Cc1ccc(CNC(=O)CN(C(=O)[C@]2(C)CC(=O)N=C3C=CC=CN32)c2cc(C)ccc2C)cc1 ZINC000013086328 556285877 /nfs/dbraw/zinc/28/58/77/556285877.db2.gz CNQAOOXZAWIGKJ-NDEPHWFRSA-N 0 0 470.573 3.734 40 0 JHABRN CCOC(=O)c1sc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)nc1C ZINC000013086611 556286512 /nfs/dbraw/zinc/28/65/12/556286512.db2.gz ZAUPFMSUBLIRBB-GFCCVEGCSA-N 0 0 489.623 3.584 40 0 JHABRN COc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(OC)c1OC ZINC000018127327 556291779 /nfs/dbraw/zinc/29/17/79/556291779.db2.gz DNXXZHCPMYZUJT-DPLHUUCSSA-N 0 0 460.486 3.764 40 0 JHABRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc(Br)c1OC ZINC000027563723 556297552 /nfs/dbraw/zinc/29/75/52/556297552.db2.gz FYGKQMWMQBKKQL-GOSISDBHSA-N 0 0 470.327 3.985 40 0 JHABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 ZINC000018205143 556309645 /nfs/dbraw/zinc/30/96/45/556309645.db2.gz JNEKRQVKQXWHJY-UHFFFAOYSA-N 0 0 453.029 3.958 40 0 JHABRN COc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019222116 556336124 /nfs/dbraw/zinc/33/61/24/556336124.db2.gz FLAXIUCNRVSZBS-UHFFFAOYSA-N 0 0 464.566 3.602 40 0 JHABRN Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)CC2=O)cc1 ZINC000028609471 556336213 /nfs/dbraw/zinc/33/62/13/556336213.db2.gz QLELTWRDECLKNM-QGZVFWFLSA-N 0 0 459.340 3.596 40 0 JHABRN NC(=O)C1CCN(C(=O)COc2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000028616786 556337263 /nfs/dbraw/zinc/33/72/63/556337263.db2.gz DRNUSSOGXJHNKR-UHFFFAOYSA-N 0 0 499.662 3.508 40 0 JHABRN Cc1cccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000019236483 556337289 /nfs/dbraw/zinc/33/72/89/556337289.db2.gz LVYBJIXLLJRAHP-UHFFFAOYSA-N 0 0 452.530 3.732 40 0 JHABRN CC1(c2ccccc2)COC2(OC1)c1ccccc1N(CN1CCN(c3ccccc3)CC1)C2=O ZINC000028630251 556337897 /nfs/dbraw/zinc/33/78/97/556337897.db2.gz UZAOEBSZHYSXGD-UHFFFAOYSA-N 0 0 469.585 3.970 40 0 JHABRN COc1ccc([C@H]([C@@H](C(=O)c2ccc(C(C)C)cc2)N2CCOCC2)N2CCOCC2)cc1 ZINC000019365964 556345804 /nfs/dbraw/zinc/34/58/04/556345804.db2.gz ALRDOVIOJICJND-FTJBHMTQSA-N 0 0 452.595 3.776 40 0 JHABRN CC[C@@H](c1nnnn1C(C)(C)CC)N(CCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019500580 556349725 /nfs/dbraw/zinc/34/97/25/556349725.db2.gz BUMOXCJLHYRYAS-QHCPKHFHSA-N 0 0 495.672 3.562 40 0 JHABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000019568062 556354461 /nfs/dbraw/zinc/35/44/61/556354461.db2.gz QQJSTNNGJQGEIM-XMMPIXPASA-N 0 0 487.608 3.504 40 0 JHABRN COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019563811 556354604 /nfs/dbraw/zinc/35/46/04/556354604.db2.gz FRLDXENFROMZGP-XMMPIXPASA-N 0 0 456.550 3.786 40 0 JHABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000019569156 556354933 /nfs/dbraw/zinc/35/49/33/556354933.db2.gz ACMYEHDIXCRWGW-DEOSSOPVSA-N 0 0 489.599 3.937 40 0 JHABRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019721875 556361873 /nfs/dbraw/zinc/36/18/73/556361873.db2.gz ROBGQYLZXYOUOO-JOCHJYFZSA-N 0 0 477.630 3.596 40 0 JHABRN CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1 ZINC000030752276 556371563 /nfs/dbraw/zinc/37/15/63/556371563.db2.gz BGOFEGNJYXIQGS-HSZRJFAPSA-N 0 0 458.624 3.765 40 0 JHABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000030755133 556372842 /nfs/dbraw/zinc/37/28/42/556372842.db2.gz NDSAMBQNVJXFJO-QHCPKHFHSA-N 0 0 454.548 3.657 40 0 JHABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(C)(=O)=O ZINC000030847855 556376135 /nfs/dbraw/zinc/37/61/35/556376135.db2.gz SXCTWEWHAYXMBC-VWLOTQADSA-N 0 0 452.576 3.984 40 0 JHABRN O=C(Nc1ccc(F)c(F)c1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000030852517 556378197 /nfs/dbraw/zinc/37/81/97/556378197.db2.gz KATXTPGGSKLGAS-UHFFFAOYSA-N 0 0 473.339 3.908 40 0 JHABRN C[C@H](C(=O)NCc1ccccc1-n1ccnc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000030853957 556378961 /nfs/dbraw/zinc/37/89/61/556378961.db2.gz KPOPRJMZONEIPI-CQSZACIVSA-N 0 0 467.378 3.650 40 0 JHABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000030856003 556379860 /nfs/dbraw/zinc/37/98/60/556379860.db2.gz WKLPKRKJTGGXTL-UHFFFAOYSA-N 0 0 494.978 3.869 40 0 JHABRN CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)Nc3cccc(F)c3)C=C2C)CC1 ZINC000030879845 556386146 /nfs/dbraw/zinc/38/61/46/556386146.db2.gz IGPVTHYHMKYJIK-HFMPRLQTSA-N 0 0 472.605 3.883 40 0 biogenic,in-vitro JHABRN COc1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019822633 556392523 /nfs/dbraw/zinc/39/25/23/556392523.db2.gz FAKFJGDRNBXVIX-UHFFFAOYSA-N 0 0 480.634 3.766 40 0 JHABRN Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019823552 556394112 /nfs/dbraw/zinc/39/41/12/556394112.db2.gz RMHRGZGTIWFLEF-UHFFFAOYSA-N 0 0 454.571 3.507 40 0 JHABRN COc1ccc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019824681 556395776 /nfs/dbraw/zinc/39/57/76/556395776.db2.gz ZJVGWOPWKBUKII-UHFFFAOYSA-N 0 0 484.597 3.597 40 0 JHABRN Cc1cccc(NC(=S)N(CCN2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000019825562 556396756 /nfs/dbraw/zinc/39/67/56/556396756.db2.gz NNZAXRLVPQSJKK-UHFFFAOYSA-N 0 0 464.635 3.985 40 0 JHABRN COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1 ZINC000031517177 556398559 /nfs/dbraw/zinc/39/85/59/556398559.db2.gz OLXNLTJYOYEMLJ-LBPRGKRZSA-N 0 0 470.831 3.902 40 0 JHABRN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1Cl ZINC000032126527 556430548 /nfs/dbraw/zinc/43/05/48/556430548.db2.gz KIRCLQPQIYZMLY-UHFFFAOYSA-N 0 0 475.014 3.780 40 0 JHABRN COc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 ZINC000032597920 556449735 /nfs/dbraw/zinc/44/97/35/556449735.db2.gz YVIPEBFMKAKWRS-YVLHZVERSA-N 0 0 482.543 3.770 40 0 JHABRN Cc1ccc(N2C(SCC(=O)Nc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640142 556460633 /nfs/dbraw/zinc/46/06/33/556460633.db2.gz GBRCJCUFWLHBIC-OALUTQOASA-N 0 0 464.012 3.670 40 0 JHABRN Cc1cccc(C)c1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 ZINC000032640128 556460700 /nfs/dbraw/zinc/46/07/00/556460700.db2.gz SHCFCNCSMXLZJZ-ZWKOTPCHSA-N 0 0 464.012 3.670 40 0 JHABRN CO[C@@H]1c2c(c3c(c4c2OC(C)(C)C=C4)O[C@](OC)(c2ccc(O)cc2O)C3=O)O[C@@H]1C(C)(C)O ZINC000252516066 560040930 /nfs/dbraw/zinc/04/09/30/560040930.db2.gz PVZCTJQJXXAELT-VIICAESSSA-N 0 0 484.501 3.576 40 0 biogenic,in-vitro JHABRN O=C(NCc1ccccc1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225474243 560043186 /nfs/dbraw/zinc/04/31/86/560043186.db2.gz LVGATKPPNZQQCR-UHFFFAOYSA-N 0 0 462.619 3.895 40 0 biogenic,in-vitro JHABRN Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NC(=O)Nc3ccccc3)cc2)[C@H]1CO ZINC000072321208 560076728 /nfs/dbraw/zinc/07/67/28/560076728.db2.gz RZZFJULUMLGXQW-DENIHFKCSA-N 0 0 452.536 3.557 40 0 biogenic,in-vitro JHABRN CCCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000008680667 562951080 /nfs/dbraw/zinc/95/10/80/562951080.db2.gz WIQXQJMETFLULN-JOCHJYFZSA-N 0 0 456.612 3.692 40 0 JHABRN Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C)ccc12 ZINC000049792062 563203859 /nfs/dbraw/zinc/20/38/59/563203859.db2.gz UFFVNATYYXBMGO-INIZCTEOSA-N 0 0 499.486 3.782 40 0 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O=C1C2=C(C(O)n3nnc4ccccc43)N3c4ccccc4C=C[C@H]3[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000008739078 554640678 /nfs/dbraw/zinc/64/06/78/554640678.db2.gz MVZUIMZDNCSXOB-KIHHCIJBSA-N 0 0 495.926 3.815 40 0 JHABRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1Cl ZINC000008831657 554723364 /nfs/dbraw/zinc/72/33/64/554723364.db2.gz IXKJNLDNVMQQKB-UHFFFAOYSA-N 0 0 460.987 3.534 40 0 JHABRN CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3OC)cc2Cl)CC1 ZINC000008897160 554787325 /nfs/dbraw/zinc/78/73/25/554787325.db2.gz LRVVEGBKAKRRQP-UHFFFAOYSA-N 0 0 475.014 3.842 40 0 JHABRN CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2Cl)CC1 ZINC000008897517 554787798 /nfs/dbraw/zinc/78/77/98/554787798.db2.gz GLPBUCBMSJZJOM-UHFFFAOYSA-N 0 0 495.830 3.898 40 0 JHABRN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 ZINC000008933984 554828471 /nfs/dbraw/zinc/82/84/71/554828471.db2.gz BPVPXDHLSXYKSL-UHFFFAOYSA-N 0 0 462.593 3.625 40 0 JHABRN COc1ccc(N2C(=O)[C@@H]3ON([C@H]4SC(=S)N(C)C4(C)C)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000008965116 554839297 /nfs/dbraw/zinc/83/92/97/554839297.db2.gz XOYSPRJATMPPTQ-YXTQBTIXSA-N 0 0 483.615 3.610 40 0 JHABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000008994908 554854962 /nfs/dbraw/zinc/85/49/62/554854962.db2.gz PZCDGTPBWISKKW-BWKNWUBXSA-N 0 0 480.609 3.772 40 0 JHABRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009011573 554864329 /nfs/dbraw/zinc/86/43/29/554864329.db2.gz VWKQOFRVPGQILU-UHFFFAOYSA-N 0 0 468.849 3.533 40 0 JHABRN CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(OC)cc4)c(C)c3)nn12 ZINC000009064523 554882202 /nfs/dbraw/zinc/88/22/02/554882202.db2.gz FMABAEALKZWZIM-UHFFFAOYSA-N 0 0 452.565 3.859 40 0 JHABRN CC(=O)Oc1ccc2c(C)c(CC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)oc2c1OC(C)=O ZINC000009134341 554931711 /nfs/dbraw/zinc/93/17/11/554931711.db2.gz RYRAXHMMBYNWAA-QLXKLKPCSA-N 0 0 469.534 3.922 40 0 JHABRN Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](c1cc(F)cc(F)c1)C2 ZINC000009287194 555060945 /nfs/dbraw/zinc/06/09/45/555060945.db2.gz JTSUNMUWKZWOHS-INIZCTEOSA-N 0 0 452.461 3.531 40 0 JHABRN COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3cc(Br)ccc3N1[C@@H]2C(=O)c1ccccc1 ZINC000009423065 555187975 /nfs/dbraw/zinc/18/79/75/555187975.db2.gz CLHIUAVAKWREBE-YSFYHYPLSA-N 0 0 495.373 3.554 40 0 JHABRN Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCCCC3)cc2c1 ZINC000013496059 555410860 /nfs/dbraw/zinc/41/08/60/555410860.db2.gz UPGXANUPUMRFKR-RUZDIDTESA-N 0 0 486.576 3.874 40 0 JHABRN Cc1ccc2cc(CN(Cc3ccco3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498534 555421431 /nfs/dbraw/zinc/42/14/31/555421431.db2.gz LMVJKZQBEOKUQU-LADGPHEKSA-N 0 0 476.581 3.995 40 0 JHABRN CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500562 555441494 /nfs/dbraw/zinc/44/14/94/555441494.db2.gz XDHVXANRYYPIJV-JOCHJYFZSA-N 0 0 454.619 3.858 40 0 JHABRN Cc1cccc2cc(CN(CCCO)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501230 555448564 /nfs/dbraw/zinc/44/85/64/555448564.db2.gz FRIZMQWZHFTFKW-UHFFFAOYSA-N 0 0 450.587 3.592 40 0 JHABRN COCCN(C(=O)CCC(=O)Nc1nccs1)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000013501595 555450386 /nfs/dbraw/zinc/45/03/86/555450386.db2.gz ZGQIVCWNRQKBLR-QHCPKHFHSA-N 0 0 498.580 3.534 40 0 JHABRN CCc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)CCC(=O)Nc1nccs1 ZINC000013501566 555450433 /nfs/dbraw/zinc/45/04/33/555450433.db2.gz URFKHZWRNPIZLD-UHFFFAOYSA-N 0 0 464.591 3.816 40 0 JHABRN Cc1ccc(C)c(N(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2nccs2)c1 ZINC000013501657 555451018 /nfs/dbraw/zinc/45/10/18/555451018.db2.gz QDIYLBAZGVUGCG-UHFFFAOYSA-N 0 0 468.554 3.967 40 0 JHABRN CCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000013502480 555455575 /nfs/dbraw/zinc/45/55/75/555455575.db2.gz ADVJLBYMFXLKSE-XMMPIXPASA-N 0 0 463.513 3.850 40 0 JHABRN O=C(c1ccco1)N1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(Cl)cc2)CC1 ZINC000013503751 555461552 /nfs/dbraw/zinc/46/15/52/555461552.db2.gz UGAOYHIQZOGKEF-OAQYLSRUSA-N 0 0 454.962 3.972 40 0 JHABRN COc1cc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000013504048 555462784 /nfs/dbraw/zinc/46/27/84/555462784.db2.gz QHPJNOIHXMVSGG-JOCHJYFZSA-N 0 0 484.576 3.505 40 0 JHABRN COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)cc1OC ZINC000013504673 555464377 /nfs/dbraw/zinc/46/43/77/555464377.db2.gz GVBGWZWNODOYPX-SANMLTNESA-N 0 0 470.577 3.650 40 0 JHABRN COc1ccccc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1 ZINC000013504829 555464891 /nfs/dbraw/zinc/46/48/91/555464891.db2.gz PWXNNAHOZDOBCN-SANMLTNESA-N 0 0 488.567 3.789 40 0 JHABRN O=C(CNC(=O)c1ccco1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506775 555473742 /nfs/dbraw/zinc/47/37/42/555473742.db2.gz SJQUQEIJKYYAOA-XMMPIXPASA-N 0 0 479.602 3.942 40 0 JHABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2)c1 ZINC000013506952 555474606 /nfs/dbraw/zinc/47/46/06/555474606.db2.gz MUVVKWIMXHCEPN-VWLOTQADSA-N 0 0 475.545 3.851 40 0 JHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccccc2F)cc1 ZINC000013507083 555475083 /nfs/dbraw/zinc/47/50/83/555475083.db2.gz SUHYNOHEXIKATA-RUZDIDTESA-N 0 0 493.535 3.990 40 0 JHABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 ZINC000013507252 555475575 /nfs/dbraw/zinc/47/55/75/555475575.db2.gz AFTQTDBVUSOHTK-VWLOTQADSA-N 0 0 474.561 3.855 40 0 JHABRN CCc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013507195 555475578 /nfs/dbraw/zinc/47/55/78/555475578.db2.gz ILSVFKNOGFQVSB-RUZDIDTESA-N 0 0 474.561 3.800 40 0 JHABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)c1 ZINC000013507925 555477453 /nfs/dbraw/zinc/47/74/53/555477453.db2.gz CYVWFQBQXJHJKH-VWLOTQADSA-N 0 0 493.560 3.830 40 0 JHABRN CCc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)CNC(=O)c2ccco2)cc1 ZINC000013507971 555477473 /nfs/dbraw/zinc/47/74/73/555477473.db2.gz DWMBEEPHEBFVDJ-JYFHCDHNSA-N 0 0 495.620 3.770 40 0 JHABRN Cc1ccccc1N(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000013508080 555477762 /nfs/dbraw/zinc/47/77/62/555477762.db2.gz BUVZPHDXFQPRBH-VWLOTQADSA-N 0 0 474.561 3.936 40 0 JHABRN CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCOC)c2ccc(F)cc2)cc1 ZINC000013508246 555478168 /nfs/dbraw/zinc/47/81/68/555478168.db2.gz KEXBORQASNBKBA-AREMUKBSSA-N 0 0 489.551 3.670 40 0 JHABRN COCCNC(=O)[C@@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1C ZINC000013508661 555479376 /nfs/dbraw/zinc/47/93/76/555479376.db2.gz OAMCDLBQALUUNN-XMMPIXPASA-N 0 0 477.590 3.647 40 0 JHABRN COc1ccc(CNC(=O)CN(C(=O)c2ccc(N3CCCC3)nc2)c2ccccc2C)cc1 ZINC000013511542 555483226 /nfs/dbraw/zinc/48/32/26/555483226.db2.gz QMVSCSORJJQZBU-UHFFFAOYSA-N 0 0 458.562 3.962 40 0 JHABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000013511738 555483497 /nfs/dbraw/zinc/48/34/97/555483497.db2.gz JONMDKZVRSBOSQ-UHFFFAOYSA-N 0 0 478.593 3.992 40 0 JHABRN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000013565149 555501215 /nfs/dbraw/zinc/50/12/15/555501215.db2.gz ZCMWQHWHIUZGFS-GOSISDBHSA-N 0 0 465.579 3.654 40 0 JHABRN COc1ccc(C(=O)CSc2nnc(-c3ccccn3)c(-c3ccccn3)n2)cc1NC(C)=O ZINC000013566517 555503461 /nfs/dbraw/zinc/50/34/61/555503461.db2.gz HEYKZZRGTABUPQ-UHFFFAOYSA-N 0 0 472.530 3.938 40 0 JHABRN COc1ccc([C@H]2CC(=O)Nc3nc(SCc4cccc(F)c4)[nH]c(=O)c32)c(OC)c1OC ZINC000013567358 555504701 /nfs/dbraw/zinc/50/47/01/555504701.db2.gz PNGZVCYLGGTIOQ-OAHLLOKOSA-N 0 0 471.510 3.701 40 0 JHABRN COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c(OC)c1OC ZINC000013567301 555504758 /nfs/dbraw/zinc/50/47/58/555504758.db2.gz IBQKQYOHTMASCJ-INIZCTEOSA-N 0 0 467.547 3.871 40 0 JHABRN COC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000019856093 555513987 /nfs/dbraw/zinc/51/39/87/555513987.db2.gz OPMSCBPEHOQNJJ-UHFFFAOYSA-N 0 0 458.923 3.961 40 0 JHABRN COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)c1 ZINC000019856235 555514563 /nfs/dbraw/zinc/51/45/63/555514563.db2.gz YGQKKBQPIHQVLW-UHFFFAOYSA-N 0 0 465.742 3.838 40 0 JHABRN COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)cc1OC ZINC000019856423 555515671 /nfs/dbraw/zinc/51/56/71/555515671.db2.gz BSQJACCNQWGCJB-UHFFFAOYSA-N 0 0 462.474 3.816 40 0 JHABRN C[C@H]1C[C@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)C1 ZINC000013577196 555516811 /nfs/dbraw/zinc/51/68/11/555516811.db2.gz WKIZPIAJQZZRHE-SLEUVZQESA-N 0 0 488.416 3.919 40 0 JHABRN CCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Br)ccc1OC ZINC000019856836 555517618 /nfs/dbraw/zinc/51/76/18/555517618.db2.gz RIUSABIIDFQYRG-UHFFFAOYSA-N 0 0 469.401 3.959 40 0 JHABRN CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000019856943 555518239 /nfs/dbraw/zinc/51/82/39/555518239.db2.gz IGMLVZDFPAODMP-UHFFFAOYSA-N 0 0 493.994 3.789 40 0 JHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000013580795 555519178 /nfs/dbraw/zinc/51/91/78/555519178.db2.gz WKOWYBAUQKTITR-OAQYLSRUSA-N 0 0 474.598 3.716 40 0 JHABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000013581627 555519558 /nfs/dbraw/zinc/51/95/58/555519558.db2.gz DFMJOOISLGMFAE-UHFFFAOYSA-N 0 0 460.552 3.689 40 0 JHABRN COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000013581951 555520180 /nfs/dbraw/zinc/52/01/80/555520180.db2.gz QROXNCHQGHUWNS-FQEVSTJZSA-N 0 0 466.603 3.967 40 0 JHABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013582942 555520424 /nfs/dbraw/zinc/52/04/24/555520424.db2.gz IXYVITMAIYIVHB-UHFFFAOYSA-N 0 0 493.629 3.638 40 0 JHABRN O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000019868056 555522294 /nfs/dbraw/zinc/52/22/94/555522294.db2.gz PFXIKTSWZYLDQG-UHFFFAOYSA-N 0 0 496.460 3.884 40 0 JHABRN CC(C)OCCCn1c2nnc(CCC(=O)NCCc3ccc(Cl)cc3)n2c2ccccc2c1=O ZINC000009831621 555534357 /nfs/dbraw/zinc/53/43/57/555534357.db2.gz DXMSLLHHPJUOAI-UHFFFAOYSA-N 0 0 496.011 3.804 40 0 JHABRN Cc1ccc(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000013612190 555534828 /nfs/dbraw/zinc/53/48/28/555534828.db2.gz AOMSERAQLJPATG-UHFFFAOYSA-N 0 0 498.576 3.850 40 0 JHABRN COCc1nn2c(nnc3c2C[C@H](c2ccc(OC)cc2OC)CC3=O)c1-c1ccc(OC)cc1 ZINC000013639432 555546181 /nfs/dbraw/zinc/54/61/81/555546181.db2.gz CNFRLDWNZQWOHB-INIZCTEOSA-N 0 0 474.517 3.876 40 0 JHABRN CCOc1ccccc1CCCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000013646268 555550861 /nfs/dbraw/zinc/55/08/61/555550861.db2.gz WIFCSQSHPRJIBR-UHFFFAOYSA-N 0 0 458.502 3.619 40 0 JHABRN COc1ccc([C@H](CC(=O)NCCc2ccccc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935838 555553122 /nfs/dbraw/zinc/55/31/22/555553122.db2.gz MJMKSOKMLRKQHG-DEOSSOPVSA-N 0 0 452.576 3.806 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCC[C@H](C)C2)c2ccc(Cl)cc2)cc1OC ZINC000013649233 555553537 /nfs/dbraw/zinc/55/35/37/555553537.db2.gz GTSFWCZPTKZNLV-INIZCTEOSA-N 0 0 466.987 3.811 40 0 JHABRN COC(=O)c1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936093 555553777 /nfs/dbraw/zinc/55/37/77/555553777.db2.gz 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555589958 /nfs/dbraw/zinc/58/99/58/555589958.db2.gz DXIDMPBJHQNMNV-UHFFFAOYSA-N 0 0 456.539 3.650 40 0 JHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1 ZINC000020013909 555589987 /nfs/dbraw/zinc/58/99/87/555589987.db2.gz LMSZWPDACIYIQB-UHFFFAOYSA-N 0 0 476.576 3.736 40 0 JHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000020013867 555589992 /nfs/dbraw/zinc/58/99/92/555589992.db2.gz OGVQZPAKVFVKBR-HNNXBMFYSA-N 0 0 469.401 3.736 40 0 JHABRN C[C@H](NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000020014223 555590209 /nfs/dbraw/zinc/59/02/09/555590209.db2.gz YSPLPNCMUNOJRF-ZDUSSCGKSA-N 0 0 459.793 3.742 40 0 JHABRN CC[C@@H](C(=O)N1CCN(c2cccc(C)c2C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712833 555590640 /nfs/dbraw/zinc/59/06/40/555590640.db2.gz FELLVGGBPQNZRW-NRFANRHFSA-N 0 0 464.031 3.850 40 0 JHABRN COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 ZINC000010004020 555590837 /nfs/dbraw/zinc/59/08/37/555590837.db2.gz ZGWAXVCLUKVCEN-UHFFFAOYSA-N 0 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562941004 /nfs/dbraw/zinc/94/10/04/562941004.db2.gz VNOPZJDLFPFULN-HSZRJFAPSA-N 0 0 468.602 3.610 40 0 JHABRN CC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1 ZINC000008672545 562949866 /nfs/dbraw/zinc/94/98/66/562949866.db2.gz NMMCECJORDDLGS-IBGZPJMESA-N 0 0 477.594 3.676 40 0 JHABRN Cc1nc2c(nnn2Cc2ccccc2)c(Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)n1 ZINC000008685861 562952677 /nfs/dbraw/zinc/95/26/77/562952677.db2.gz JDECPQAKEMBILM-KRWDZBQOSA-N 0 0 477.594 3.885 40 0 JHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3)CC2)cc1 ZINC000057316522 569597871 /nfs/dbraw/zinc/59/78/71/569597871.db2.gz JUGVZLUXBYJYGF-UHFFFAOYSA-N 0 0 492.576 3.924 40 0 JHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)CC2)cc1 ZINC000057317162 569598348 /nfs/dbraw/zinc/59/83/48/569598348.db2.gz MKDUDKZNAMETIZ-UHFFFAOYSA-N 0 0 456.757 3.966 40 0 JHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccnc4Cl)cc3)CC2)cc1 ZINC000057317196 569598472 /nfs/dbraw/zinc/59/84/72/569598472.db2.gz 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3.828 40 0 JHABRN Cc1cc2cc(CN(CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498935 555426492 /nfs/dbraw/zinc/42/64/92/555426492.db2.gz GUFORGQIXLKYQH-QHCPKHFHSA-N 0 0 452.603 3.828 40 0 JHABRN CCC[C@H](c1nnnn1CCOC)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499379 555430920 /nfs/dbraw/zinc/43/09/20/555430920.db2.gz DPGANTXULKBCPL-RUZDIDTESA-N 0 0 490.608 3.756 40 0 JHABRN Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc2c1 ZINC000013500440 555440145 /nfs/dbraw/zinc/44/01/45/555440145.db2.gz MWYUFSBVLYVXNG-LADGPHEKSA-N 0 0 476.581 3.995 40 0 JHABRN CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501026 555446239 /nfs/dbraw/zinc/44/62/39/555446239.db2.gz QYDDPPVAOYPDCE-XMMPIXPASA-N 0 0 478.572 3.736 40 0 JHABRN CC(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1 ZINC000013501438 555449639 /nfs/dbraw/zinc/44/96/39/555449639.db2.gz VHAIIOAOJGUKLV-RUZDIDTESA-N 0 0 478.524 3.944 40 0 JHABRN Cc1cc(C)cc(N(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2nccs2)c1 ZINC000013501659 555451026 /nfs/dbraw/zinc/45/10/26/555451026.db2.gz WWTQMUDXFCFZNK-UHFFFAOYSA-N 0 0 468.554 3.967 40 0 JHABRN CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)c(Cl)c1 ZINC000013501929 555451976 /nfs/dbraw/zinc/45/19/76/555451976.db2.gz XVTSHFLEQOZJJB-UHFFFAOYSA-N 0 0 454.955 3.850 40 0 JHABRN Cc1ccc(N(C(=O)CNS(=O)(=O)c2ccc(C)cc2)[C@H](C(=O)NCc2ccco2)C(C)C)cc1 ZINC000013502963 555458493 /nfs/dbraw/zinc/45/84/93/555458493.db2.gz XQCDELJJSAVFFX-VWLOTQADSA-N 0 0 497.617 3.549 40 0 JHABRN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(C)c3C)CC2)c(OC)c1 ZINC000013504010 555462397 /nfs/dbraw/zinc/46/23/97/555462397.db2.gz PKWGVLYKULHJKW-XMMPIXPASA-N 0 0 464.614 3.974 40 0 JHABRN COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000013504634 555464339 /nfs/dbraw/zinc/46/43/39/555464339.db2.gz QRYWHTKTBLLFFX-AREMUKBSSA-N 0 0 470.577 3.650 40 0 JHABRN COc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3F)CC2)c1 ZINC000013504710 555464372 /nfs/dbraw/zinc/46/43/72/555464372.db2.gz YBASCHHIIUQQMC-AREMUKBSSA-N 0 0 488.567 3.789 40 0 JHABRN COc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013504958 555465333 /nfs/dbraw/zinc/46/53/33/555465333.db2.gz FOCDQLUYFVDIRF-RUZDIDTESA-N 0 0 458.541 3.781 40 0 JHABRN COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013505497 555466704 /nfs/dbraw/zinc/46/67/04/555466704.db2.gz QUOMQJAUYGIGSJ-AREMUKBSSA-N 0 0 472.568 3.975 40 0 JHABRN COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000013505493 555466722 /nfs/dbraw/zinc/46/67/22/555466722.db2.gz HQKRBNMWOLTNQW-AREMUKBSSA-N 0 0 454.578 3.836 40 0 JHABRN CCc1ccc([C@@H](C(=O)NC2CCCC2)N(CCOC)C(=O)CCC(=O)Nc2cc(C)on2)cc1 ZINC000013505764 555468111 /nfs/dbraw/zinc/46/81/11/555468111.db2.gz DEUPEPRAHGBHGH-VWLOTQADSA-N 0 0 484.597 3.539 40 0 JHABRN CCCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1C ZINC000013505843 555468299 /nfs/dbraw/zinc/46/82/99/555468299.db2.gz VRPDJYPMUWMJLX-CPJSRVTESA-N 0 0 484.597 3.675 40 0 JHABRN Cc1cc(NC(=O)CCC(=O)N(c2ccc(C)cc2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccco2)no1 ZINC000013505829 555468308 /nfs/dbraw/zinc/46/83/08/555468308.db2.gz GTAAMJISETXDKO-NLFFAJNJSA-N 0 0 494.548 3.673 40 0 JHABRN O=C(CNC(=O)c1ccco1)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013506582 555472656 /nfs/dbraw/zinc/47/26/56/555472656.db2.gz YZOOXFQTMPBEHC-VWLOTQADSA-N 0 0 477.536 3.977 40 0 JHABRN O=C(CNC(=O)c1ccco1)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000013506593 555472678 /nfs/dbraw/zinc/47/26/78/555472678.db2.gz RHVMFHNWXOMRBG-HSZRJFAPSA-N 0 0 467.497 3.570 40 0 JHABRN CC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000013506715 555473342 /nfs/dbraw/zinc/47/33/42/555473342.db2.gz LYPQZWXXKVNPOT-XMMPIXPASA-N 0 0 477.517 3.638 40 0 JHABRN O=C(CNC(=O)c1ccco1)N(c1ccccc1F)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000013506788 555473848 /nfs/dbraw/zinc/47/38/48/555473848.db2.gz CDFUUBCLYDDUEC-DEOSSOPVSA-N 0 0 463.509 3.982 40 0 JHABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)CNC(=O)c2ccco2)c2ccc(F)cc2)c1 ZINC000013506944 555474665 /nfs/dbraw/zinc/47/46/65/555474665.db2.gz READTKHIRPTOOE-VWLOTQADSA-N 0 0 493.535 3.990 40 0 JHABRN Cc1ccc(C)c(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1 ZINC000013507373 555475961 /nfs/dbraw/zinc/47/59/61/555475961.db2.gz PZGVXNRKICIYFA-RUZDIDTESA-N 0 0 474.561 3.855 40 0 JHABRN COCCNC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 ZINC000013508736 555479564 /nfs/dbraw/zinc/47/95/64/555479564.db2.gz LGIMBNOUMMSEDJ-MHZLTWQESA-N 0 0 494.555 3.517 40 0 JHABRN COCCNC(=O)[C@H](c1ccccc1C)N(C(=O)Cn1nnc2ccccc21)c1cc(C)cc(C)c1 ZINC000013508897 555479784 /nfs/dbraw/zinc/47/97/84/555479784.db2.gz LVNWZBKXLORDEH-MHZLTWQESA-N 0 0 485.588 3.894 40 0 JHABRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccc(C)cc2)cc1 ZINC000013564777 555500085 /nfs/dbraw/zinc/50/00/85/555500085.db2.gz IOMPJUOEZOVJJX-UHFFFAOYSA-N 0 0 465.531 3.680 40 0 JHABRN Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000013565162 555501266 /nfs/dbraw/zinc/50/12/66/555501266.db2.gz LBYSTNGWMSETBY-IBGZPJMESA-N 0 0 479.606 3.697 40 0 JHABRN COc1cc(OC)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)cc1OC ZINC000013567395 555504858 /nfs/dbraw/zinc/50/48/58/555504858.db2.gz MEOCWTKBYRJQFB-AWEZNQCLSA-N 0 0 471.510 3.701 40 0 JHABRN COc1cc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000013567537 555505424 /nfs/dbraw/zinc/50/54/24/555505424.db2.gz VSMHAMPBGJTSBP-HNNXBMFYSA-N 0 0 474.307 3.806 40 0 JHABRN CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000013568118 555506261 /nfs/dbraw/zinc/50/62/61/555506261.db2.gz BMHQLPMYHIRDQL-HUUCEWRRSA-N 0 0 467.551 3.637 40 0 JHABRN COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccccc1 ZINC000019856263 555514538 /nfs/dbraw/zinc/51/45/38/555514538.db2.gz FYVIOTRAVJJYNH-UHFFFAOYSA-N 0 0 499.427 3.584 40 0 JHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(=O)OC)cc2)c2ccccc2)cc1 ZINC000019856515 555515958 /nfs/dbraw/zinc/51/59/58/555515958.db2.gz CHHXEUXCKLSBFM-UHFFFAOYSA-N 0 0 468.531 3.706 40 0 JHABRN CCN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581296 555519514 /nfs/dbraw/zinc/51/95/14/555519514.db2.gz RVFPOKSNPPGHHE-UHFFFAOYSA-N 0 0 456.539 3.751 40 0 JHABRN COc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 ZINC000013584760 555522671 /nfs/dbraw/zinc/52/26/71/555522671.db2.gz LFMXGNVJQLZOCR-UHFFFAOYSA-N 0 0 456.520 3.546 40 0 JHABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000013585186 555523149 /nfs/dbraw/zinc/52/31/49/555523149.db2.gz QXIYXXXXHYZQGX-UHFFFAOYSA-N 0 0 479.602 3.548 40 0 JHABRN CC(C)OCCCn1c2nnc(CCC(=O)Nc3ccc(F)cc3)n2c2ccccc2c1=O ZINC000009831595 555534071 /nfs/dbraw/zinc/53/40/71/555534071.db2.gz QLRJAMYJACCETF-UHFFFAOYSA-N 0 0 451.502 3.570 40 0 JHABRN C[C@H]1Cc2ccccc2N1C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000013612878 555535035 /nfs/dbraw/zinc/53/50/35/555535035.db2.gz FZDUVLZQNROZLZ-SFHVURJKSA-N 0 0 464.543 3.631 40 0 JHABRN CCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930378 555547724 /nfs/dbraw/zinc/54/77/24/555547724.db2.gz XFLJYKIKWMAFLN-ZDUSSCGKSA-N 0 0 489.819 3.999 40 0 JHABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c(Cl)c1 ZINC000019933105 555550257 /nfs/dbraw/zinc/55/02/57/555550257.db2.gz ZNTPABZNOOQBDN-UHFFFAOYSA-N 0 0 466.943 3.562 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCCc2cccc(C)c2)c2ccccc2)cc1 ZINC000013648208 555552655 /nfs/dbraw/zinc/55/26/55/555552655.db2.gz BRTLJPLGCLKCQH-UHFFFAOYSA-N 0 0 452.576 3.948 40 0 JHABRN COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)OCCO3)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936069 555553771 /nfs/dbraw/zinc/55/37/71/555553771.db2.gz HIOWSIXTPKKLAT-JOCHJYFZSA-N 0 0 482.558 3.857 40 0 JHABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(I)c2)c(C)c1 ZINC000013668880 555558054 /nfs/dbraw/zinc/55/80/54/555558054.db2.gz BBBUTYBIKQBSAF-UHFFFAOYSA-N 0 0 475.304 3.586 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccc(F)cc2)cc1OC ZINC000013669140 555558800 /nfs/dbraw/zinc/55/88/00/555558800.db2.gz OLZPYNYYCDDLNE-UHFFFAOYSA-N 0 0 470.522 3.628 40 0 JHABRN COc1ccccc1N1CCN([C@H](c2nnnn2C2CCCC2)c2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000019940561 555558896 /nfs/dbraw/zinc/55/88/96/555558896.db2.gz AMMRMSUGAMFLLR-SANMLTNESA-N 0 0 499.619 3.858 40 0 JHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019940631 555559164 /nfs/dbraw/zinc/55/91/64/555559164.db2.gz VZMVJQLPZIDJPY-SANMLTNESA-N 0 0 499.619 3.940 40 0 JHABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000019941407 555560649 /nfs/dbraw/zinc/56/06/49/555560649.db2.gz HPZYEQFNTPJDHS-AREMUKBSSA-N 0 0 499.619 3.809 40 0 JHABRN Cc1ccc(Cn2ccsc2=NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000009963994 555566033 /nfs/dbraw/zinc/56/60/33/555566033.db2.gz XONRPZIZBDCCNF-LNVKXUELSA-N 0 0 466.544 3.905 40 0 JHABRN 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/nfs/dbraw/zinc/19/31/28/556193128.db2.gz OUUIOHXMIGYVFF-UHFFFAOYSA-N 0 0 453.410 3.799 40 0 JHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013023421 556212655 /nfs/dbraw/zinc/21/26/55/556212655.db2.gz GVUNBSJFNHLPEO-SANMLTNESA-N 0 0 484.604 3.944 40 0 JHABRN CCc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028899 556223075 /nfs/dbraw/zinc/22/30/75/556223075.db2.gz WXXZVGMUSSFTKR-WNCULLNHSA-N 0 0 489.620 3.801 40 0 JHABRN CCc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028955 556223357 /nfs/dbraw/zinc/22/33/57/556223357.db2.gz NXTGEELDRMNQCF-BWKNWUBXSA-N 0 0 477.609 3.657 40 0 JHABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000013030999 556226499 /nfs/dbraw/zinc/22/64/99/556226499.db2.gz CQOWFWXVEKGIAU-HHHXNRCGSA-N 0 0 484.604 3.801 40 0 JHABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F ZINC000013031064 556226960 /nfs/dbraw/zinc/22/69/60/556226960.db2.gz LDCJFOXISYYJJF-VWLOTQADSA-N 0 0 474.540 3.902 40 0 JHABRN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)c1 ZINC000013031092 556226983 /nfs/dbraw/zinc/22/69/83/556226983.db2.gz PJYGZOQGAOEEIM-MHZLTWQESA-N 0 0 498.587 3.966 40 0 JHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccco1 ZINC000013031319 556227435 /nfs/dbraw/zinc/22/74/35/556227435.db2.gz HKUPLDXNMIMKRO-SANMLTNESA-N 0 0 489.576 3.965 40 0 JHABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(Cl)c1 ZINC000025987850 556239944 /nfs/dbraw/zinc/23/99/44/556239944.db2.gz ZUTNJHNHLPETKS-UHFFFAOYSA-N 0 0 485.993 3.717 40 0 JHABRN O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCN(c2ccccc2)CC1 ZINC000026109979 556242246 /nfs/dbraw/zinc/24/22/46/556242246.db2.gz UGAFZHWCRDKNEP-IBGZPJMESA-N 0 0 496.460 3.884 40 0 JHABRN O=C([C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)N1CCc2ccccc2C1 ZINC000026113539 556244536 /nfs/dbraw/zinc/24/45/36/556244536.db2.gz IVBSEVUHURFIGO-HSZRJFAPSA-N 0 0 468.962 3.881 40 0 JHABRN COc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1OC ZINC000026115833 556246067 /nfs/dbraw/zinc/24/60/67/556246067.db2.gz ZGLNJGHENSBNOP-UHFFFAOYSA-N 0 0 450.582 3.853 40 0 JHABRN CSc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)N1CCOCC1 ZINC000026117091 556247019 /nfs/dbraw/zinc/24/70/19/556247019.db2.gz UUVUPORLAKUXOA-UHFFFAOYSA-N 0 0 460.499 3.701 40 0 JHABRN CSc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000026118727 556247910 /nfs/dbraw/zinc/24/79/10/556247910.db2.gz MDAVEVJMODYBIQ-UHFFFAOYSA-N 0 0 491.654 3.931 40 0 JHABRN CCCCN1C(=O)N(CCCC)[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(CCCC)C(=O)N4CCCC)O[C@H]21 ZINC000018067564 556283055 /nfs/dbraw/zinc/28/30/55/556283055.db2.gz KRZRVHPJWDIBFT-LBZTZSLCSA-N 0 0 482.622 3.712 40 0 JHABRN C[C@H]1CCCN(C(=O)CSc2nnc3n(CC(=O)N4[C@@H](C)CCC[C@@H]4C)c4ccccc4n23)C1 ZINC000013085762 556284993 /nfs/dbraw/zinc/28/49/93/556284993.db2.gz IOSXTUYNLQGPEN-FHWLQOOXSA-N 0 0 482.654 3.824 40 0 JHABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000018117232 556289870 /nfs/dbraw/zinc/28/98/70/556289870.db2.gz JZVBLOLBKINIDJ-UHFFFAOYSA-N 0 0 468.531 3.761 40 0 JHABRN Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000027530825 556291041 /nfs/dbraw/zinc/29/10/41/556291041.db2.gz KLAOISGIAVKNMD-UHFFFAOYSA-N 0 0 470.422 3.864 40 0 JHABRN COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=NNN32)ccc1OCc1ccc(Cl)cc1Cl ZINC000027563781 556297486 /nfs/dbraw/zinc/29/74/86/556297486.db2.gz YZYCEFQFQRESBY-GOSISDBHSA-N 0 0 461.309 3.938 40 0 JHABRN CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)[C@H]5CC=C[C@@H](C)[C@@H]5C4=O)cc3)CC2=O)cc1 ZINC000018244857 556315357 /nfs/dbraw/zinc/31/53/57/556315357.db2.gz QDWYHXSAELHADU-ONMDXVTGSA-N 0 0 488.540 3.745 40 0 JHABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCc3ccccc3C2)cc1 ZINC000019211224 556334082 /nfs/dbraw/zinc/33/40/82/556334082.db2.gz UCIUHHDYSWQVAD-XMMPIXPASA-N 0 0 477.565 3.700 40 0 JHABRN Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(Cc4ccco4)CC3)c(=O)[nH]c2c1 ZINC000019221982 556335630 /nfs/dbraw/zinc/33/56/30/556335630.db2.gz TZUKTQFUQAGDIJ-VWLOTQADSA-N 0 0 487.608 3.828 40 0 JHABRN Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000019234236 556336767 /nfs/dbraw/zinc/33/67/67/556336767.db2.gz AOWRZDRZJVKGSY-UHFFFAOYSA-N 0 0 454.615 3.712 40 0 JHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCc2ccccc2C1 ZINC000019499591 556349212 /nfs/dbraw/zinc/34/92/12/556349212.db2.gz XOURECBGBKDDGU-XMMPIXPASA-N 0 0 486.576 3.579 40 0 JHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000019499643 556349669 /nfs/dbraw/zinc/34/96/69/556349669.db2.gz OMEPKZYYLAQYNW-XMMPIXPASA-N 0 0 471.609 3.880 40 0 JHABRN COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019563844 556354509 /nfs/dbraw/zinc/35/45/09/556354509.db2.gz UQZOTERAHYYLNU-SANMLTNESA-N 0 0 496.546 3.858 40 0 JHABRN 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RHSCQUGFGOIZCW-BARSGRSVSA-N 0 0 458.564 3.902 40 0 JHABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1Cl ZINC000032127038 556431420 /nfs/dbraw/zinc/43/14/20/556431420.db2.gz NNXUATAPQODBRN-UHFFFAOYSA-N 0 0 462.984 3.922 40 0 JHABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2Br)CC1 ZINC000032127066 556431460 /nfs/dbraw/zinc/43/14/60/556431460.db2.gz WEVGPDMEZYRMFP-UHFFFAOYSA-N 0 0 489.439 3.881 40 0 JHABRN CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2Cl)CC1 ZINC000032127861 556432588 /nfs/dbraw/zinc/43/25/88/556432588.db2.gz FTVZVTMQJUONAQ-UHFFFAOYSA-N 0 0 488.997 3.644 40 0 JHABRN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000032127988 556432727 /nfs/dbraw/zinc/43/27/27/556432727.db2.gz LGPMVBLUDJVPFK-UHFFFAOYSA-N 0 0 454.596 3.517 40 0 JHABRN Cc1ccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c(C)c1 ZINC000032639971 556459440 /nfs/dbraw/zinc/45/94/40/556459440.db2.gz OOPMMZWIKHMVGO-WOJBJXKFSA-N 0 0 478.039 3.666 40 0 JHABRN 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555517961 /nfs/dbraw/zinc/51/79/61/555517961.db2.gz ZUIXRONWPQKLBR-UHFFFAOYSA-N 0 0 463.603 3.778 40 0 JHABRN CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)NCCc3ccccc3)c2)cc1 ZINC000013581875 555519828 /nfs/dbraw/zinc/51/98/28/555519828.db2.gz ZWYXQALHAMFSFR-UHFFFAOYSA-N 0 0 482.558 3.645 40 0 JHABRN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000019868226 555522563 /nfs/dbraw/zinc/52/25/63/555522563.db2.gz HEHPLJSPUSTXPD-UHFFFAOYSA-N 0 0 490.025 3.757 40 0 JHABRN CC(C)CCn1c2nnc(CCC(=O)N3CCN(c4ccccc4F)CC3)n2c2ccccc2c1=O ZINC000009831587 555533953 /nfs/dbraw/zinc/53/39/53/555533953.db2.gz YIJKQKYBVXHPKU-UHFFFAOYSA-N 0 0 490.583 3.511 40 0 JHABRN COc1ccc([C@H]2CC(=O)c3c[nH]c4nn(-c5nc6ccccc6o5)c(=O)c-4c3C2)c(OC)c1 ZINC000013639653 555546691 /nfs/dbraw/zinc/54/66/91/555546691.db2.gz AGWMUJXIZTXWAQ-CYBMUJFWSA-N 0 0 456.458 3.785 40 0 JHABRN CCN(CC(=O)N[C@@H](C)c1cccc(Br)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929988 555547137 /nfs/dbraw/zinc/54/71/37/555547137.db2.gz LDWSGFCLNOKWDT-HNNXBMFYSA-N 0 0 469.401 3.654 40 0 JHABRN COC(=O)c1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)c1 ZINC000013646006 555550509 /nfs/dbraw/zinc/55/05/09/555550509.db2.gz JCHZAQJGKZMWIY-UHFFFAOYSA-N 0 0 468.531 3.624 40 0 JHABRN COc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1I ZINC000013647276 555551737 /nfs/dbraw/zinc/55/17/37/555551737.db2.gz XSBGVBCFDIAVOH-HNNXBMFYSA-N 0 0 473.332 3.881 40 0 JHABRN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000013648290 555552629 /nfs/dbraw/zinc/55/26/29/555552629.db2.gz JNTWOEGOGXUGCJ-UHFFFAOYSA-N 0 0 450.944 3.862 40 0 JHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)c2ccccc2)cc1OC ZINC000013649397 555553514 /nfs/dbraw/zinc/55/35/14/555553514.db2.gz LKLWORPEKVSSIK-UHFFFAOYSA-N 0 0 466.559 3.879 40 0 JHABRN COc1ccc([C@H](CC(=O)N2CCN(c3ccccc3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936159 555554052 /nfs/dbraw/zinc/55/40/52/555554052.db2.gz JMUZMEFVMIRCLC-SANMLTNESA-N 0 0 493.629 3.796 40 0 JHABRN CCN(c1ccc(OCC(=O)NCc2ccccc2OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938049 555555473 /nfs/dbraw/zinc/55/54/73/555555473.db2.gz DGKMXTOECIRKIF-UHFFFAOYSA-N 0 0 468.575 3.914 40 0 JHABRN CCOc1ccc(CNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013668838 555558135 /nfs/dbraw/zinc/55/81/35/555558135.db2.gz VEEHSVSOFWOZJE-UHFFFAOYSA-N 0 0 498.601 3.923 40 0 JHABRN COC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000013670688 555561366 /nfs/dbraw/zinc/56/13/66/555561366.db2.gz KTFNWAUSFYIECP-UHFFFAOYSA-N 0 0 456.495 3.755 40 0 JHABRN COC(=O)C1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000013673121 555564640 /nfs/dbraw/zinc/56/46/40/555564640.db2.gz MZYHNULOBBTVEQ-UHFFFAOYSA-N 0 0 485.389 3.600 40 0 JHABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c(C)c1 ZINC000013674208 555565410 /nfs/dbraw/zinc/56/54/10/555565410.db2.gz CUDYDKFOMQUNKY-QHCPKHFHSA-N 0 0 480.542 3.767 40 0 JHABRN COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013675413 555566510 /nfs/dbraw/zinc/56/65/10/555566510.db2.gz DEYXWCNTOCUEOE-UHFFFAOYSA-N 0 0 450.944 3.944 40 0 JHABRN O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013678570 555569976 /nfs/dbraw/zinc/56/99/76/555569976.db2.gz LCYRNRYTJPFTTE-SFHVURJKSA-N 0 0 455.407 3.894 40 0 JHABRN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000013680707 555573160 /nfs/dbraw/zinc/57/31/60/555573160.db2.gz ZSSQSPUVMJJGCO-NRFANRHFSA-N 0 0 458.923 3.944 40 0 JHABRN COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000013680710 555573192 /nfs/dbraw/zinc/57/31/92/555573192.db2.gz ZSSQSPUVMJJGCO-OAQYLSRUSA-N 0 0 458.923 3.944 40 0 JHABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000009972985 555573229 /nfs/dbraw/zinc/57/32/29/555573229.db2.gz OSYVKKQWSKCTEY-UHFFFAOYSA-N 0 0 461.946 3.677 40 0 JHABRN COc1ccc(CCN2C(=O)[C@H](CC(=O)NCc3ccccc3)n3c4ccccc4nc32)cc1 ZINC000019962237 555573681 /nfs/dbraw/zinc/57/36/81/555573681.db2.gz 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