smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 ZINC000015813775 210171054 /nfs/dbraw/zinc/17/10/54/210171054.db2.gz BXDXWIWMXQKTRS-UHFFFAOYSA-N 0 0 395.528 4.698 20 0 GJADRN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)NC1CCCCC1 ZINC000007160833 209721828 /nfs/dbraw/zinc/72/18/28/209721828.db2.gz HFMUIZKQCYMFMK-NSHDSACASA-N 0 0 383.439 4.578 20 0 GJADRN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006314466 209642089 /nfs/dbraw/zinc/64/20/89/209642089.db2.gz TWCMIBIDLRURCE-LLVKDONJSA-N 0 0 379.407 4.711 20 0 GJADRN Cc1sc2nc(S[C@H](C)C(=O)Nc3c(C)cccc3C)nc(N)c2c1C ZINC000001356309 209321493 /nfs/dbraw/zinc/32/14/93/209321493.db2.gz LHFPSVJGZGADRS-CYBMUJFWSA-N 0 0 386.546 4.626 20 0 GJADRN CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000008807537 212076782 /nfs/dbraw/zinc/07/67/82/212076782.db2.gz ZHJSUABXHLBLNC-JTQLQIEISA-N 0 0 395.315 4.877 20 0 GJADRN C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000008807697 212076178 /nfs/dbraw/zinc/07/61/78/212076178.db2.gz WMYGIDAKEMZHEA-JTQLQIEISA-N 0 0 380.300 4.999 20 0 GJADRN Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(Cl)c1 ZINC000007771166 212073282 /nfs/dbraw/zinc/07/32/82/212073282.db2.gz QCSYXRXTMCHUEV-UHFFFAOYSA-N 0 0 396.874 4.829 20 0 GJADRN Cc1cccc(-n2c(S[C@H]3CCCCC3=O)nc3ccccc3c2=O)c1C ZINC000007743396 212073314 /nfs/dbraw/zinc/07/33/14/212073314.db2.gz BVTNAKVAARTJRD-FQEVSTJZSA-N 0 0 378.497 4.606 20 0 GJADRN Cc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1-c1ccccc1C ZINC000005619819 212066089 /nfs/dbraw/zinc/06/60/89/212066089.db2.gz RZHNZFBQSQTKJD-UHFFFAOYSA-N 0 0 380.517 4.540 20 0 GJADRN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)cc1 ZINC000003441505 212062831 /nfs/dbraw/zinc/06/28/31/212062831.db2.gz BPHHFHVUARUILU-LBPRGKRZSA-N 0 0 378.291 4.771 20 0 GJADRN O=C(COc1ccc(Br)cc1Br)c1ccccc1F ZINC000005868007 204153851 /nfs/dbraw/zinc/15/38/51/204153851.db2.gz HQNFTJCUKNTDKF-UHFFFAOYSA-N 0 0 388.030 4.612 20 0 GJADRN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006039055 204162756 /nfs/dbraw/zinc/16/27/56/204162756.db2.gz XROPEGDQLYYVLS-UHFFFAOYSA-N 0 0 385.798 4.966 20 0 GJADRN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n32)c(C)c1 ZINC000007200026 204236573 /nfs/dbraw/zinc/23/65/73/204236573.db2.gz OGHZGIKABMZHMG-MRXNPFEDSA-N 0 0 390.512 4.927 20 0 GJADRN Cc1ccc2nc(C)c(C(=O)NCCc3ccc(Br)s3)cc2c1 ZINC000010822284 204339851 /nfs/dbraw/zinc/33/98/51/204339851.db2.gz SDGOKXDZNWKARK-UHFFFAOYSA-N 0 0 389.318 4.648 20 0 GJADRN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000010422371 204334257 /nfs/dbraw/zinc/33/42/57/204334257.db2.gz FNVNLHAAFFXQRB-UHFFFAOYSA-N 0 0 397.434 4.874 20 0 GJADRN NC(=O)[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 ZINC000011238686 204343762 /nfs/dbraw/zinc/34/37/62/204343762.db2.gz AOZMLBROSHTYQD-NRFANRHFSA-N 0 0 398.491 4.524 20 0 GJADRN CCOc1ccc(-c2nc(NC(=O)c3cc(OC)ccc3OC)sc2C)cc1 ZINC000013972497 204519188 /nfs/dbraw/zinc/51/91/88/204519188.db2.gz CECAQFQVQZTOGL-UHFFFAOYSA-N 0 0 398.484 4.787 20 0 GJADRN COc1cc(C(=O)Nc2cc(F)ccc2C)cc(OC)c1OCc1ccccc1 ZINC000014672626 204539027 /nfs/dbraw/zinc/53/90/27/204539027.db2.gz XXYMSTHCTNXRMB-UHFFFAOYSA-N 0 0 395.430 4.983 20 0 GJADRN CCOc1ccc(CCNC(=O)c2cccc(Cl)c2Cl)cc1OCC ZINC000015897419 204583938 /nfs/dbraw/zinc/58/39/38/204583938.db2.gz WEUKYSYBCYHZDS-UHFFFAOYSA-N 0 0 382.287 4.763 20 0 GJADRN COc1cc(NC(=O)Cc2c(C)nc3ccccc3c2C)c(OC)cc1Cl ZINC000015970246 204586060 /nfs/dbraw/zinc/58/60/60/204586060.db2.gz VXFNBRZJNZETEY-UHFFFAOYSA-N 0 0 384.863 4.703 20 0 GJADRN Cc1oc2nc(SCC(=O)C(C)(C)C)nc(NC(=O)c3ccccc3)c2c1C ZINC000039553874 205042899 /nfs/dbraw/zinc/04/28/99/205042899.db2.gz QLYUSUIUAYAYRY-UHFFFAOYSA-N 0 0 397.500 4.799 20 0 GJADRN O=C(Nc1ccc(-c2csnn2)cc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000056788006 205152148 /nfs/dbraw/zinc/15/21/48/205152148.db2.gz PGHXKVYYEBYGFG-LJQANCHMSA-N 0 0 379.489 4.749 20 0 GJADRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000071970721 205301161 /nfs/dbraw/zinc/30/11/61/205301161.db2.gz PDKPNLJRNCCGLK-GFCCVEGCSA-N 0 0 386.498 4.511 20 0 GJADRN CN(Cc1cscn1)C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000083867720 205391538 /nfs/dbraw/zinc/39/15/38/205391538.db2.gz ZLJLXJQEORUKPY-MRXNPFEDSA-N 0 0 394.338 4.588 20 0 GJADRN COc1ccc(Br)c(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000021835622 211747901 /nfs/dbraw/zinc/74/79/01/211747901.db2.gz MWYZBHBGHAFEDP-GOSISDBHSA-N 0 0 376.294 4.975 20 0 GJADRN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)C(N)=O ZINC000008488484 206223686 /nfs/dbraw/zinc/22/36/86/206223686.db2.gz MBYHYNCQPGDDRQ-AWEZNQCLSA-N 0 0 386.565 4.714 20 0 GJADRN CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc32)nnc1-c1ccco1 ZINC000008484874 206224282 /nfs/dbraw/zinc/22/42/82/206224282.db2.gz OFZLPTZHBDRGMX-CQSZACIVSA-N 0 0 392.484 4.831 20 0 GJADRN COc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)cc1F ZINC000005246064 206215634 /nfs/dbraw/zinc/21/56/34/206215634.db2.gz UJIPULPHUYTSGJ-UHFFFAOYSA-N 0 0 394.830 4.932 20 0 GJADRN CCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2C)cc1OC ZINC000005617637 206217537 /nfs/dbraw/zinc/21/75/37/206217537.db2.gz REZIBTJIQODFKH-UHFFFAOYSA-N 0 0 382.229 4.556 20 0 GJADRN COc1ccc(-c2nnc(SCc3c(C)noc3C)n2-c2ccccc2)cc1 ZINC000006901929 206220671 /nfs/dbraw/zinc/22/06/71/206220671.db2.gz XMOXOXNIKVEPFZ-UHFFFAOYSA-N 0 0 392.484 4.840 20 0 GJADRN Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCc2ccco2)cc1 ZINC000007910640 206221220 /nfs/dbraw/zinc/22/12/20/206221220.db2.gz UYZIUZWHGIENPW-UHFFFAOYSA-N 0 0 375.403 4.510 20 0 GJADRN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000007670474 206221867 /nfs/dbraw/zinc/22/18/67/206221867.db2.gz NIJKZNLJQVIXKZ-UHFFFAOYSA-N 0 0 377.878 4.736 20 0 GJADRN COc1cc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000113400691 211463634 /nfs/dbraw/zinc/46/36/34/211463634.db2.gz FWMJMYWLBVYUFK-SFHVURJKSA-N 0 0 391.895 4.517 20 0 GJADRN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000097161131 211361220 /nfs/dbraw/zinc/36/12/20/211361220.db2.gz URZNXOUWYKRHSB-CQSZACIVSA-N 0 0 375.403 4.775 20 0 GJADRN COc1ccc2cc([C@H](C)C(=O)N3CCO[C@H](c4ccccc4)C3)ccc2c1 ZINC000072004184 211067487 /nfs/dbraw/zinc/06/74/87/211067487.db2.gz PSILSDQNKYZYEP-SBUREZEXSA-N 0 0 375.468 4.552 20 0 GJADRN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc2c(cccc2C)s1 ZINC000071971193 211066279 /nfs/dbraw/zinc/06/62/79/211066279.db2.gz GLSXVMCPHZSDBJ-LBPRGKRZSA-N 0 0 386.498 4.511 20 0 GJADRN C[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2ccccc21 ZINC000071977042 211065924 /nfs/dbraw/zinc/06/59/24/211065924.db2.gz CLOBZKSWLKLASL-JTQLQIEISA-N 0 0 375.799 4.671 20 0 GJADRN O=C(Nc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1)c1cccs1 ZINC000021889058 210399249 /nfs/dbraw/zinc/39/92/49/210399249.db2.gz YEUHMRNEWGCTHB-UHFFFAOYSA-N 0 0 376.359 4.670 20 0 GJADRN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C(C)C)cc3)n2)s1 ZINC000021902120 210398709 /nfs/dbraw/zinc/39/87/09/210398709.db2.gz DPESXHPGGJNDBJ-UHFFFAOYSA-N 0 0 399.541 4.883 20 0 GJADRN COc1ccc(-c2noc(Cc3c(C)nc4ccccc4c3C)n2)cc1OC ZINC000109464120 571013449 /nfs/dbraw/zinc/01/34/49/571013449.db2.gz SCHRNKFOBQPOLV-UHFFFAOYSA-N 0 0 375.428 4.510 20 0 GJADRN Fc1ccc(-c2cc(C(F)(F)N3CC[C@]4(CCOC4)C3)cnc2Cl)cc1 ZINC001164389548 718808149 /nfs/dbraw/zinc/80/81/49/718808149.db2.gz KOTUVRIXJILPJI-SFHVURJKSA-N 0 0 382.813 4.703 20 0 GJADRN COc1cccc(-c2cc(C(F)(F)N3CCC34CCCC4)c(Cl)nn2)c1 ZINC001164399805 718845549 /nfs/dbraw/zinc/84/55/49/718845549.db2.gz GXXCTEOMYJJLDM-UHFFFAOYSA-N 0 0 379.838 4.873 20 0 GJADRN O=C1c2ccccc2[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)C[C@H]12 ZINC001164403212 718849267 /nfs/dbraw/zinc/84/92/67/718849267.db2.gz IEHLSWAUYFXVNM-MSOLQXFVSA-N 0 0 384.813 4.849 20 0 GJADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3ccc4ccc(Cl)nc4c3)C[C@@H]12 ZINC001164410059 718856696 /nfs/dbraw/zinc/85/66/96/718856696.db2.gz YMLKRTWYWLMAOB-JKSUJKDBSA-N 0 0 399.828 4.605 20 0 GJADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1C[C@H]2CC(F)(F)[C@@H]2C1 ZINC001164405620 718868599 /nfs/dbraw/zinc/86/85/99/718868599.db2.gz FMEJNTLOUNLWFE-GMSGAONNSA-N 0 0 380.172 4.573 20 0 GJADRN FC(F)(Oc1ccccc1-c1cccc(Cl)n1)N1C[C@@H]2CC(F)(F)[C@H]2C1 ZINC001164412546 718871829 /nfs/dbraw/zinc/87/18/29/718871829.db2.gz WPAYSQLJSQNYMS-AAEUAGOBSA-N 0 0 386.776 4.918 20 0 GJADRN COc1cccc(-c2cc(C(F)(F)N3CC4(C3)CCCOC4)cnc2Cl)c1 ZINC001164415293 718883385 /nfs/dbraw/zinc/88/33/85/718883385.db2.gz FKNYTCLDXYMKKG-UHFFFAOYSA-N 0 0 394.849 4.572 20 0 GJADRN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC2(C=Cc3ccccc32)CC1 ZINC001164422253 718909439 /nfs/dbraw/zinc/90/94/39/718909439.db2.gz YMJQOHBLEASZRA-UHFFFAOYSA-N 0 0 387.861 4.729 20 0 GJADRN O[C@@H]1CCN(C(F)(F)c2cccc3ccnc(Cl)c32)[C@@H]1Cc1ccccc1 ZINC001164834060 720489840 /nfs/dbraw/zinc/48/98/40/720489840.db2.gz RCYZNVJBTXMCQA-QZTJIDSGSA-N 0 0 388.845 4.615 20 0 GJADRN COC[C@]12CCC[C@H]1CN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)C2 ZINC001164847808 720792776 /nfs/dbraw/zinc/79/27/76/720792776.db2.gz NWIPYJOBUQWMBK-YVEFUNNKSA-N 0 0 399.894 4.656 20 0 GJADRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cccc3c(Cl)nccc32)cs1 ZINC001164746228 720864154 /nfs/dbraw/zinc/86/41/54/720864154.db2.gz GMPPUKXAZMHRMB-INIZCTEOSA-N 0 0 395.862 4.776 20 0 GJADRN Fc1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc1Cl ZINC001164767029 721058546 /nfs/dbraw/zinc/05/85/46/721058546.db2.gz GPUBHCAENOPFLZ-DNVCBOLYSA-N 0 0 396.840 4.962 20 0 GJADRN FC(F)(c1cc(Cl)cnc1Cl)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164901495 721496576 /nfs/dbraw/zinc/49/65/76/721496576.db2.gz VPHLHNULWUHAPA-DUVNUKRYSA-N 0 0 391.289 4.965 20 0 GJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165037555 721881346 /nfs/dbraw/zinc/88/13/46/721881346.db2.gz OFGLJCIRAQUNNU-UHFFFAOYSA-N 0 0 399.832 4.758 20 0 GJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001165039722 721899958 /nfs/dbraw/zinc/89/99/58/721899958.db2.gz ZDKFOPNBVZTCJN-AWEZNQCLSA-N 0 0 386.273 4.873 20 0 GJADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001165039408 721900000 /nfs/dbraw/zinc/90/00/00/721900000.db2.gz WLQUEJQGURAVPU-HNNXBMFYSA-N 0 0 394.849 4.526 20 0 GJADRN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001165038864 721900037 /nfs/dbraw/zinc/90/00/37/721900037.db2.gz RYMFJJHIMUGBOK-OAHLLOKOSA-N 0 0 388.849 4.682 20 0 GJADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3nccc(Cl)n3)CC[C@@H]21 ZINC001165006341 722245193 /nfs/dbraw/zinc/24/51/93/722245193.db2.gz YEHBBUYSEUJHEN-RDJZCZTQSA-N 0 0 392.881 4.513 20 0 GJADRN Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000016136175 210185757 /nfs/dbraw/zinc/18/57/57/210185757.db2.gz KNSRIANMRAPEPY-QFIPXVFZSA-N 0 0 392.499 4.608 20 0 GJADRN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(Cl)c1Cl ZINC000014708014 210125585 /nfs/dbraw/zinc/12/55/85/210125585.db2.gz XSEPMHNABGSWDR-UHFFFAOYSA-N 0 0 385.678 4.736 20 0 GJADRN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(C2SCCCS2)cc1 ZINC000014482135 210118247 /nfs/dbraw/zinc/11/82/47/210118247.db2.gz NFWKIAKNCBDVPO-UHFFFAOYSA-N 0 0 398.553 4.700 20 0 GJADRN Cc1ccc(O[C@@H](C)C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC000014498373 210118078 /nfs/dbraw/zinc/11/80/78/210118078.db2.gz VCHFNQBTHHKXGC-FUHWJXTLSA-N 0 0 396.512 4.584 20 0 GJADRN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H]1CC=CCC1)CC2 ZINC000012922859 210029564 /nfs/dbraw/zinc/02/95/64/210029564.db2.gz GJFPNNJVXVLZSW-BTYIYWSLSA-N 0 0 383.513 4.596 20 0 GJADRN Cc1nc2scc(-c3ccccc3)c2c(NCc2ccc(-n3ccnc3)nc2)n1 ZINC000012777854 210006379 /nfs/dbraw/zinc/00/63/79/210006379.db2.gz ZTPYNNKDZORMLV-UHFFFAOYSA-N 0 0 398.495 4.860 20 0 GJADRN CC(=O)N[C@@H](CC(=O)Nc1nc2c(ccc3ccccc23)s1)c1ccccc1 ZINC000007670808 212071469 /nfs/dbraw/zinc/07/14/69/212071469.db2.gz HWRLTDOXMLTLFJ-SFHVURJKSA-N 0 0 389.480 4.656 20 0 GJADRN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCc1cn2ccccc2n1 ZINC000005254485 212065076 /nfs/dbraw/zinc/06/50/76/212065076.db2.gz MAQWMHXLOFBYFM-UHFFFAOYSA-N 0 0 398.919 4.646 20 0 GJADRN Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 ZINC000004933376 212064288 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CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)c(F)c3)n2)c(F)c1 ZINC000010995012 204341831 /nfs/dbraw/zinc/34/18/31/204341831.db2.gz LPANQBDVYNOUOB-UHFFFAOYSA-N 0 0 387.411 4.607 20 0 GJADRN O=S(=O)(c1ccc(Cl)s1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000016086631 209173407 /nfs/dbraw/zinc/17/34/07/209173407.db2.gz YVXMXETVPREVSR-UHFFFAOYSA-N 0 0 398.962 4.580 20 0 GJADRN Cc1cc(Br)ccc1NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000014737539 204539549 /nfs/dbraw/zinc/53/95/49/204539549.db2.gz ALKPZOHRFRHQAY-UHFFFAOYSA-N 0 0 395.256 4.510 20 0 GJADRN COc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(OC)cc1Cl ZINC000015970617 204586101 /nfs/dbraw/zinc/58/61/01/204586101.db2.gz KTYACDIGNCATAQ-UHFFFAOYSA-N 0 0 375.730 4.508 20 0 GJADRN Cc1c(NC(=O)[C@H]2CC=CCC2)cccc1C(=O)N1CCc2sccc2C1 ZINC000026048402 204838111 /nfs/dbraw/zinc/83/81/11/204838111.db2.gz WBOYBXDPUNAWQN-INIZCTEOSA-N 0 0 380.513 4.550 20 0 GJADRN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccccc1Cl ZINC000039210213 205039921 /nfs/dbraw/zinc/03/99/21/205039921.db2.gz 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HZBRSXICILDQJK-IBGZPJMESA-N 0 0 379.859 4.647 20 0 GJADRN C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000097161130 211361045 /nfs/dbraw/zinc/36/10/45/211361045.db2.gz URZNXOUWYKRHSB-AWEZNQCLSA-N 0 0 375.403 4.775 20 0 GJADRN O=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)s1)Nc1ccccc1 ZINC000097109978 211358953 /nfs/dbraw/zinc/35/89/53/211358953.db2.gz ACSFODFPKVTZDI-UHFFFAOYSA-N 0 0 377.469 4.591 20 0 GJADRN COc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000095594849 211281307 /nfs/dbraw/zinc/28/13/07/211281307.db2.gz FYBGLYVXXGYEGQ-UHFFFAOYSA-N 0 0 379.256 4.691 20 0 GJADRN O=C(c1ccc(-c2ccccc2)o1)N1CCC2(CC1)OCCc1ccsc12 ZINC000077979494 211147502 /nfs/dbraw/zinc/14/75/02/211147502.db2.gz YOLRSHKUCONRQG-UHFFFAOYSA-N 0 0 379.481 4.712 20 0 GJADRN O=C(NCc1ccccc1COCc1ccccc1)c1cnc2ccsc2c1 ZINC000077955085 211145444 /nfs/dbraw/zinc/14/54/44/211145444.db2.gz HAQNJTMZOPUAHD-UHFFFAOYSA-N 0 0 388.492 4.943 20 0 GJADRN CCOCCO[C@H](C)C(=O)N(c1nc2ccccc2s1)c1ccc(CC)cc1 ZINC000072000100 211067939 /nfs/dbraw/zinc/06/79/39/211067939.db2.gz BGYQVZZELSCPAS-MRXNPFEDSA-N 0 0 398.528 4.965 20 0 GJADRN CC(C)Oc1ccc(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)cc1 ZINC000071962316 211066032 /nfs/dbraw/zinc/06/60/32/211066032.db2.gz BSGVPFCFZAZBOT-KRWDZBQOSA-N 0 0 390.892 4.569 20 0 GJADRN COc1cc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc(OC)c1 ZINC000504281963 533005646 /nfs/dbraw/zinc/00/56/46/533005646.db2.gz IHDHAHKGPGGTJQ-INIZCTEOSA-N 0 0 389.451 4.677 20 0 GJADRN Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000023786577 210453708 /nfs/dbraw/zinc/45/37/08/210453708.db2.gz IWKHPLAFTHVZSY-UHFFFAOYSA-N 0 0 398.304 4.524 20 0 GJADRN COc1cccc(N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)c1 ZINC000005094466 220828936 /nfs/dbraw/zinc/82/89/36/220828936.db2.gz FQXPQPIIQZOUOK-UHFFFAOYSA-N 0 0 386.904 4.526 20 0 GJADRN Cc1cc(C)c(NC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c(C)c1 ZINC000014426284 221310034 /nfs/dbraw/zinc/31/00/34/221310034.db2.gz QERGMSAHUVCGBL-UHFFFAOYSA-N 0 0 398.462 4.660 20 0 GJADRN CC(C)(C)c1nc2cc(NC(=O)c3cccnc3N3CCCCC3)ccc2o1 ZINC000071998364 534906519 /nfs/dbraw/zinc/90/65/19/534906519.db2.gz JVQDXPCTKLYMSK-UHFFFAOYSA-N 0 0 378.476 4.763 20 0 GJADRN CC(C)c1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000064660489 570512968 /nfs/dbraw/zinc/51/29/68/570512968.db2.gz WUPNFMNXEQNFHW-UHFFFAOYSA-N 0 0 398.553 4.681 20 0 GJADRN Fc1cccc(-c2cc(C(F)(F)N3CC[C@H]4COC[C@H]4C3)cnc2Cl)c1 ZINC001164389330 718819518 /nfs/dbraw/zinc/81/95/18/718819518.db2.gz HRQNCIIOVWAEMA-UONOGXRCSA-N 0 0 382.813 4.559 20 0 GJADRN COc1ccccc1-c1cc(C(F)(F)N2CCC23CCCC3)c(Cl)nn1 ZINC001164400489 718845622 /nfs/dbraw/zinc/84/56/22/718845622.db2.gz YGDWKMXLXCVLJO-UHFFFAOYSA-N 0 0 379.838 4.873 20 0 GJADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@@H]12 ZINC001164402242 718857208 /nfs/dbraw/zinc/85/72/08/718857208.db2.gz JQWBLEUCGDMJOW-LSDHHAIUSA-N 0 0 399.828 4.605 20 0 GJADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cccc4ccnc(Cl)c43)C[C@H]12 ZINC001164402237 718857407 /nfs/dbraw/zinc/85/74/07/718857407.db2.gz JQWBLEUCGDMJOW-GJZGRUSLSA-N 0 0 399.828 4.605 20 0 GJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@@H]2CC(F)(F)[C@H]2C1 ZINC001164404907 718868646 /nfs/dbraw/zinc/86/86/46/718868646.db2.gz BVBWZQMXKXTQJR-XVKPBYJWSA-N 0 0 380.172 4.573 20 0 GJADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC(F)C2)CC1 ZINC001164416542 718884523 /nfs/dbraw/zinc/88/45/23/718884523.db2.gz YYVBPHMWJVTJSR-SFHVURJKSA-N 0 0 379.838 4.643 20 0 GJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164421149 718906906 /nfs/dbraw/zinc/90/69/06/718906906.db2.gz QHWPNHQRPUZEIJ-KSSFIOAISA-N 0 0 393.865 4.656 20 0 GJADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(C=Cc3ccccc32)CC1 ZINC001164421953 718909425 /nfs/dbraw/zinc/90/94/25/718909425.db2.gz WJHPQZAOZCAACH-UHFFFAOYSA-N 0 0 396.268 4.979 20 0 GJADRN FC(F)(c1cccnc1Cl)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650323 719287161 /nfs/dbraw/zinc/28/71/61/719287161.db2.gz YXZLBBTWRMFZDB-CQDKDKBSSA-N 0 0 397.878 4.580 20 0 GJADRN F[C@H](c1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821520 720395267 /nfs/dbraw/zinc/39/52/67/720395267.db2.gz HLRXYNHTQDWHMY-RBUKOAKNSA-N 0 0 395.856 4.941 20 0 GJADRN COC[C@]12CCC[C@H]1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)C2 ZINC001164849086 720793558 /nfs/dbraw/zinc/79/35/58/720793558.db2.gz QWVXHHIHFHUDTP-QFBILLFUSA-N 0 0 393.865 4.595 20 0 GJADRN FC(F)(c1ccnc(Cl)c1)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164772498 721057961 /nfs/dbraw/zinc/05/79/61/721057961.db2.gz PGXYKLCPXRONOB-LPHOPBHVSA-N 0 0 378.850 4.823 20 0 GJADRN FC(F)(c1ccnc(Cl)c1)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164772500 721058221 /nfs/dbraw/zinc/05/82/21/721058221.db2.gz PGXYKLCPXRONOB-QFBILLFUSA-N 0 0 378.850 4.823 20 0 GJADRN FC(F)(c1cnc(Cl)c(Cl)c1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165038378 721880940 /nfs/dbraw/zinc/88/09/40/721880940.db2.gz SZFZLLKEMOMIBZ-UHFFFAOYSA-N 0 0 395.240 4.930 20 0 GJADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164987793 722172937 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CC(=O)c1sc(NC(=O)c2ccccc2OC(F)F)nc1-c1ccccc1 ZINC000014657587 210122457 /nfs/dbraw/zinc/12/24/57/210122457.db2.gz PNHLPQUSYQKRPC-UHFFFAOYSA-N 0 0 388.395 4.866 20 0 GJADRN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)cc2)n1 ZINC000011004112 209870442 /nfs/dbraw/zinc/87/04/42/209870442.db2.gz SDRNCWLRQIURFY-UHFFFAOYSA-N 0 0 397.862 4.556 20 0 GJADRN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000010490887 209862085 /nfs/dbraw/zinc/86/20/85/209862085.db2.gz UXYOPUDXMZSBOR-UHFFFAOYSA-N 0 0 378.812 4.947 20 0 GJADRN CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)n1 ZINC000008268756 209770231 /nfs/dbraw/zinc/77/02/31/209770231.db2.gz FFCCIUCZUMUFIO-AWEZNQCLSA-N 0 0 383.561 4.504 20 0 GJADRN Fc1cc(Br)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000008222263 209767510 /nfs/dbraw/zinc/76/75/10/209767510.db2.gz ZTTXEFOYAFINST-UHFFFAOYSA-N 0 0 383.604 4.871 20 0 GJADRN O=C(CSc1nc2ccccc2o1)Nc1ccccc1N1CCCCCC1 ZINC000001356307 209321742 /nfs/dbraw/zinc/32/17/42/209321742.db2.gz YZVPKTNHPGPCIU-UHFFFAOYSA-N 0 0 381.501 4.939 20 0 GJADRN C[C@@H]1N(C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)CCC12CCOCC2 ZINC000359975633 209208716 /nfs/dbraw/zinc/20/87/16/209208716.db2.gz RFFVGNIHZALUMT-OKZBNKHCSA-N 0 0 396.556 4.764 20 0 GJADRN CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000008807538 212075919 /nfs/dbraw/zinc/07/59/19/212075919.db2.gz ZHJSUABXHLBLNC-SNVBAGLBSA-N 0 0 395.315 4.877 20 0 GJADRN COc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc(OC)c1 ZINC000006386034 212069883 /nfs/dbraw/zinc/06/98/83/212069883.db2.gz DKXPSAJDSLRLRE-UHFFFAOYSA-N 0 0 399.450 4.809 20 0 GJADRN CCOc1ccc([C@@H](C)NC(=O)Cc2coc3cc(OC)ccc23)cc1OCC ZINC000005510576 212067591 /nfs/dbraw/zinc/06/75/91/212067591.db2.gz AELWYJRZBVVBIF-OAHLLOKOSA-N 0 0 397.471 4.659 20 0 GJADRN O=C(CCSc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000006344557 204174798 /nfs/dbraw/zinc/17/47/98/204174798.db2.gz MPIGTGWUSIDGAF-UHFFFAOYSA-N 0 0 398.509 4.702 20 0 GJADRN O=C(Nc1nc2ccccc2[nH]1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000006971266 204227254 /nfs/dbraw/zinc/22/72/54/204227254.db2.gz HRALSCZHDVNBGO-UHFFFAOYSA-N 0 0 399.479 4.789 20 0 GJADRN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1c(F)cccc1F ZINC000007319072 204238128 /nfs/dbraw/zinc/23/81/28/204238128.db2.gz NENARYZFBNCNBG-UHFFFAOYSA-N 0 0 375.444 4.536 20 0 GJADRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000007944015 204255229 /nfs/dbraw/zinc/25/52/29/204255229.db2.gz GFTURUCDCVUULQ-CYBMUJFWSA-N 0 0 392.286 4.876 20 0 GJADRN O=C(NCCc1ccc(Br)s1)c1cc(F)c(Cl)cc1Cl ZINC000010502621 204335840 /nfs/dbraw/zinc/33/58/40/204335840.db2.gz DMXXYCOXUIONIX-UHFFFAOYSA-N 0 0 397.096 4.929 20 0 GJADRN CCOC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccccc3)n2)cc1 ZINC000011147020 204342879 /nfs/dbraw/zinc/34/28/79/204342879.db2.gz BTIKXHSFENILCM-UHFFFAOYSA-N 0 0 396.468 4.583 20 0 GJADRN CCN(c1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1)C(C)C ZINC000030639556 204898002 /nfs/dbraw/zinc/89/80/02/204898002.db2.gz CYNHXBBJOLONQH-UHFFFAOYSA-N 0 0 386.565 4.621 20 0 GJADRN CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000044959866 205090429 /nfs/dbraw/zinc/09/04/29/205090429.db2.gz ILDMDWBWIGMYPJ-CHWSQXEVSA-N 0 0 383.332 4.912 20 0 GJADRN CCCC(=O)Nc1cccc(NCC(=O)Nc2c(CC)cccc2CC)c1C ZINC000063642259 205187722 /nfs/dbraw/zinc/18/77/22/205187722.db2.gz HAXADZSPGBXCRB-UHFFFAOYSA-N 0 0 381.520 4.909 20 0 GJADRN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(O)c(Br)c1 ZINC000071967295 205300495 /nfs/dbraw/zinc/30/04/95/205300495.db2.gz DWGYZCAGMLMXPL-INIZCTEOSA-N 0 0 395.684 4.785 20 0 GJADRN COc1ccc(-c2csc(NC(=O)c3cc4ccccc4n3C)n2)cc1OC ZINC000071970854 205300721 /nfs/dbraw/zinc/30/07/21/205300721.db2.gz MJDJSDFEMYQNJU-UHFFFAOYSA-N 0 0 393.468 4.571 20 0 GJADRN CN(Cc1cscn1)C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000083867723 205390836 /nfs/dbraw/zinc/39/08/36/205390836.db2.gz ZLJLXJQEORUKPY-INIZCTEOSA-N 0 0 394.338 4.588 20 0 GJADRN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(F)ccc1Br ZINC000024210576 211792560 /nfs/dbraw/zinc/79/25/60/211792560.db2.gz 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O=C(Nc1ccccc1N1CCc2ccccc21)c1ccc(Cn2ccnc2)cc1 ZINC000071998478 211067964 /nfs/dbraw/zinc/06/79/64/211067964.db2.gz FDEFRUGQYGXHLF-UHFFFAOYSA-N 0 0 394.478 4.878 20 0 GJADRN O=C(CCc1ccccc1Br)Nc1nc(-c2ccco2)cs1 ZINC000071959212 211066038 /nfs/dbraw/zinc/06/60/38/211066038.db2.gz JERWASIAGOIJOM-UHFFFAOYSA-N 0 0 377.263 4.737 20 0 GJADRN COC1CCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000053887397 210877376 /nfs/dbraw/zinc/87/73/76/210877376.db2.gz JMMOHSJBWRDIPO-UHFFFAOYSA-N 0 0 378.497 4.728 20 0 GJADRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1 ZINC000040860476 210796943 /nfs/dbraw/zinc/79/69/43/210796943.db2.gz NZCFIQMFQCSIJL-UHFFFAOYSA-N 0 0 399.372 4.913 20 0 GJADRN COc1cccc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc21 ZINC000040864578 210796606 /nfs/dbraw/zinc/79/66/06/210796606.db2.gz QNPBTSWGQGYYDG-UHFFFAOYSA-N 0 0 383.256 4.629 20 0 GJADRN COc1cc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc(OC)c1 ZINC000504281964 533011339 /nfs/dbraw/zinc/01/13/39/533011339.db2.gz IHDHAHKGPGGTJQ-MRXNPFEDSA-N 0 0 389.451 4.677 20 0 GJADRN Cc1nc2cc(NC(=O)C3(c4ccc(Br)cc4)CCC3)ccc2o1 ZINC000026390520 210496346 /nfs/dbraw/zinc/49/63/46/210496346.db2.gz BKESRHQGPZFTPI-UHFFFAOYSA-N 0 0 385.261 4.959 20 0 GJADRN O=C(CCCNC(=O)c1ccsc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000024107395 210460913 /nfs/dbraw/zinc/46/09/13/210460913.db2.gz VXGNPWKFJDJKBP-UHFFFAOYSA-N 0 0 391.707 4.857 20 0 GJADRN COc1ccc([C@H](NC(=O)c2ccc(Br)o2)c2ccccc2)cc1 ZINC000021830420 210394992 /nfs/dbraw/zinc/39/49/92/210394992.db2.gz SKIQNFVHEUZCMB-GOSISDBHSA-N 0 0 386.245 4.570 20 0 GJADRN Cc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000020401848 210331172 /nfs/dbraw/zinc/33/11/72/210331172.db2.gz NORCRZMTXPOUGV-KRWDZBQOSA-N 0 0 377.271 4.545 20 0 GJADRN Cc1cc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(C)c1 ZINC000014426356 221309349 /nfs/dbraw/zinc/30/93/49/221309349.db2.gz NVHJWIDORBGKPG-UHFFFAOYSA-N 0 0 390.483 4.793 20 0 GJADRN COCCOc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000064672172 222077421 /nfs/dbraw/zinc/07/74/21/222077421.db2.gz ZCHIOVLYLBPHAK-UHFFFAOYSA-N 0 0 387.439 4.507 20 0 GJADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4COC[C@@H]4C3)cnc2Cl)c1 ZINC001164389727 718820644 /nfs/dbraw/zinc/82/06/44/718820644.db2.gz JLMCQMUAEJPYAC-HOTGVXAUSA-N 0 0 378.850 4.728 20 0 GJADRN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC23CCCC3)n1 ZINC001164399953 718845500 /nfs/dbraw/zinc/84/55/00/718845500.db2.gz LJIPZPKVMMICGM-UHFFFAOYSA-N 0 0 378.545 4.943 20 0 GJADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1C[C@H]2CC(F)(F)[C@@H]2C1 ZINC001164404891 718868418 /nfs/dbraw/zinc/86/84/18/718868418.db2.gz BVBWZQMXKXTQJR-GMSGAONNSA-N 0 0 380.172 4.573 20 0 GJADRN Fc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@H]4C3)c(Cl)nn2)c1 ZINC001164411183 718872083 /nfs/dbraw/zinc/87/20/83/718872083.db2.gz NONDOSFCWSGJBC-GWCFXTLKSA-N 0 0 389.755 4.572 20 0 GJADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@H]4C3)c(Cl)nn2)c1 ZINC001164410686 718872568 /nfs/dbraw/zinc/87/25/68/718872568.db2.gz GBLMVLGICWVHJZ-JSGCOSHPSA-N 0 0 385.792 4.742 20 0 GJADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC(F)C3)CC2)n1 ZINC001164415530 718884400 /nfs/dbraw/zinc/88/44/00/718884400.db2.gz JGINZEFHKCTIDD-UHFFFAOYSA-N 0 0 390.572 4.868 20 0 GJADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2CCCO[C@H]2C1 ZINC001164421013 718898534 /nfs/dbraw/zinc/89/85/34/718898534.db2.gz OXDPPHQPYWIESO-YJBOKZPZSA-N 0 0 378.850 4.952 20 0 GJADRN Cc1cc(C(F)(F)N2CCC3(CC(=O)c4ccc(F)cc43)CC2)cc(Cl)n1 ZINC001164424949 718936418 /nfs/dbraw/zinc/93/64/18/718936418.db2.gz SAGUHMBQDVHKAT-UHFFFAOYSA-N 0 0 394.824 4.852 20 0 GJADRN O=C1CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2cc(F)ccc21 ZINC001164425253 718936476 /nfs/dbraw/zinc/93/64/76/718936476.db2.gz VFPRPFIQGSENAF-UHFFFAOYSA-N 0 0 398.787 4.683 20 0 GJADRN Cc1ncc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C)c3)c1)C2 ZINC001164447573 718992547 /nfs/dbraw/zinc/99/25/47/718992547.db2.gz CKSQYOYTWXWPDV-UHFFFAOYSA-N 0 0 388.849 4.780 20 0 GJADRN FC(F)(c1ccnc(Cl)c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645346 719287284 /nfs/dbraw/zinc/28/72/84/719287284.db2.gz GMANZISCJMWVKH-CQDKDKBSSA-N 0 0 397.878 4.580 20 0 GJADRN FC(F)(c1cccnc1Cl)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650325 719287318 /nfs/dbraw/zinc/28/73/18/719287318.db2.gz YXZLBBTWRMFZDB-NILFDRSVSA-N 0 0 397.878 4.580 20 0 GJADRN FC(F)(c1cc(Cl)cnc1Cl)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@H]2C1 ZINC001164901497 721496391 /nfs/dbraw/zinc/49/63/91/721496391.db2.gz VPHLHNULWUHAPA-NOLJZWGESA-N 0 0 391.289 4.965 20 0 GJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@H]2C1 ZINC001164902372 721497785 /nfs/dbraw/zinc/49/77/85/721497785.db2.gz YQNFOBWVJDNWCG-QRTARXTBSA-N 0 0 395.881 4.793 20 0 GJADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@@H]2C1 ZINC001164901161 721498222 /nfs/dbraw/zinc/49/82/22/721498222.db2.gz SVUVYPQYDVWCNT-XHSDSOJGSA-N 0 0 395.881 4.793 20 0 GJADRN Cc1cncc(COC[C@]23CCC[C@H]2CN([C@H](F)c2ccnc(Cl)c2)C3)c1 ZINC001164804999 721601059 /nfs/dbraw/zinc/60/10/59/721601059.db2.gz ZFIVLFIAXKWZOA-SESVDKBCSA-N 0 0 389.902 4.725 20 0 GJADRN Cc1cc(Cl)c(C)nc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164909607 721757289 /nfs/dbraw/zinc/75/72/89/721757289.db2.gz JQWLQIRZGPTUPC-UHFFFAOYSA-N 0 0 396.922 4.535 20 0 GJADRN CCOC(=O)c1ccc(C(F)(F)N(C)CCCc2ccccc2)c(Cl)n1 ZINC001165037562 721880701 /nfs/dbraw/zinc/88/07/01/721880701.db2.gz OLTDCUXERSTQNB-UHFFFAOYSA-N 0 0 382.838 4.526 20 0 GJADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N(Cc1cccnc1)Cc1ccccn1 ZINC001165035134 721881325 /nfs/dbraw/zinc/88/13/25/721881325.db2.gz CHAHUZQMODHMQR-UHFFFAOYSA-N 0 0 399.832 4.758 20 0 GJADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[C@H](c2ccncc2)C1 ZINC001165041121 721928919 /nfs/dbraw/zinc/92/89/19/721928919.db2.gz YSTDFURHVANZKR-ZDUSSCGKSA-N 0 0 392.862 4.792 20 0 GJADRN FC(F)(c1ccc(Cl)nn1)N1CCC(c2nc3ccccc3s2)CC1 ZINC001165050379 721989051 /nfs/dbraw/zinc/98/90/51/721989051.db2.gz FXQGIDFHLQJEAQ-UHFFFAOYSA-N 0 0 380.851 4.669 20 0 GJADRN Cc1cc(CN(C)C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)n(C)n1 ZINC001165051732 721989713 /nfs/dbraw/zinc/98/97/13/721989713.db2.gz XFDSMVCSEZCEIX-UHFFFAOYSA-N 0 0 376.838 4.625 20 0 GJADRN FC(F)(c1ccc(Cl)nc1)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164979085 722170261 /nfs/dbraw/zinc/17/02/61/722170261.db2.gz UEWRLXSZTJEXDR-GGPKGHCWSA-N 0 0 390.861 4.981 20 0 GJADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3ccc(Cl)nn3)CC[C@H]21 ZINC001165004088 722245363 /nfs/dbraw/zinc/24/53/63/722245363.db2.gz NEFNPRFJVQDOSO-DOTOQJQBSA-N 0 0 392.881 4.513 20 0 GJADRN CC(C)CN1c2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3)CC[C@@H]21 ZINC001165005140 722245373 /nfs/dbraw/zinc/24/53/73/722245373.db2.gz SEUYSQJKDBUAFT-WMZOPIPTSA-N 0 0 392.881 4.513 20 0 GJADRN CC(C)CN1c2ccccc2[C@H]2CN(C(F)(F)c3cncc(Cl)n3)CC[C@H]21 ZINC001165005598 722245836 /nfs/dbraw/zinc/24/58/36/722245836.db2.gz UXSCEKUAHKQUQU-NVXWUHKLSA-N 0 0 392.881 4.513 20 0 GJADRN Cn1ccnc1[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1F ZINC000018237363 210219080 /nfs/dbraw/zinc/21/90/80/210219080.db2.gz NYAHWHKNNITHKC-MRXNPFEDSA-N 0 0 396.224 4.525 20 0 GJADRN S=C(Nc1ccc(Br)cc1Br)NC1CCCCC1 ZINC000017083486 210203911 /nfs/dbraw/zinc/20/39/11/210203911.db2.gz DUQFRFNPQBILFI-UHFFFAOYSA-N 0 0 392.160 4.831 20 0 GJADRN CCN1CCc2nc3ccccc3c(C(=O)Nc3cc(Cl)ccc3C)c2C1 ZINC000015992306 210181117 /nfs/dbraw/zinc/18/11/17/210181117.db2.gz PREFADMWAYNJIH-UHFFFAOYSA-N 0 0 379.891 4.827 20 0 GJADRN C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000015796746 210170536 /nfs/dbraw/zinc/17/05/36/210170536.db2.gz OKBZJKHSWIMINA-IUODEOHRSA-N 0 0 376.909 4.962 20 0 GJADRN CCOc1ccccc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O ZINC000014348612 210115913 /nfs/dbraw/zinc/11/59/13/210115913.db2.gz NFWZQHHQVPLXQS-UHFFFAOYSA-N 0 0 376.481 4.880 20 0 GJADRN CC(=O)N(c1nc(CSc2nnc(C)s2)cs1)c1ccc(C)cc1C ZINC000007192486 209723777 /nfs/dbraw/zinc/72/37/77/209723777.db2.gz GHTIFSUWHRPFKX-UHFFFAOYSA-N 0 0 390.559 4.897 20 0 GJADRN Cc1ccc(-c2nnc([C@H](C)N[C@H](c3cnn(C)c3)c3ccccc3)o2)cc1C ZINC000359962972 209207184 /nfs/dbraw/zinc/20/71/84/209207184.db2.gz XTFCMXDCFZNEHI-UWJYYQICSA-N 0 0 387.487 4.527 20 0 GJADRN CCCOc1ccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc1OC ZINC000007699815 212073600 /nfs/dbraw/zinc/07/36/00/212073600.db2.gz LLOHTLYNMJYHJD-LFIBNONCSA-N 0 0 396.512 4.817 20 0 GJADRN COc1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1F ZINC000007910487 212072901 /nfs/dbraw/zinc/07/29/01/212072901.db2.gz FSGKGEOFCSVDPU-XYOKQWHBSA-N 0 0 390.336 4.507 20 0 GJADRN CCOC(=O)c1cc(CC)sc1NC(=O)COc1cccc(C(C)C)c1 ZINC000001944406 203923113 /nfs/dbraw/zinc/92/31/13/203923113.db2.gz QPUJGRHUFMMBIV-UHFFFAOYSA-N 0 0 375.490 4.628 20 0 GJADRN COc1ccc2oc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c(C)c2c1 ZINC000007406022 204240660 /nfs/dbraw/zinc/24/06/60/204240660.db2.gz KWOWJRDAFBXTCQ-UHFFFAOYSA-N 0 0 375.808 4.673 20 0 GJADRN Cn1ccnc1Sc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000010423900 204334730 /nfs/dbraw/zinc/33/47/30/204334730.db2.gz GIIATAFGCXBPKN-UHFFFAOYSA-N 0 0 379.272 4.525 20 0 GJADRN C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000010519582 204335507 /nfs/dbraw/zinc/33/55/07/204335507.db2.gz KORVXPCROXPQHB-SNVBAGLBSA-N 0 0 395.805 4.880 20 0 GJADRN COc1cc(OC)c(NC(=O)Cc2csc(-c3ccccc3)n2)cc1Cl ZINC000014716307 204538486 /nfs/dbraw/zinc/53/84/86/204538486.db2.gz UDKSWQFRECBZNQ-UHFFFAOYSA-N 0 0 388.876 4.662 20 0 GJADRN O=C(Nc1cc(C(=O)NCc2ccc(F)cc2)ccc1Cl)c1cccs1 ZINC000015961312 204585335 /nfs/dbraw/zinc/58/53/35/204585335.db2.gz JOOWEHQXVWQOAX-UHFFFAOYSA-N 0 0 388.851 4.723 20 0 GJADRN Cc1cccc(N2CCN(C(=O)c3ccccc3NCc3ccccc3)CC2)c1C ZINC000255189417 211994784 /nfs/dbraw/zinc/99/47/84/211994784.db2.gz PSRZRKJQZZZVPI-UHFFFAOYSA-N 0 0 399.538 4.878 20 0 GJADRN O=C(N[C@H](c1ccccc1)c1ccccn1)N1CCCCC[C@H]1c1ccncc1 ZINC000043295929 205083626 /nfs/dbraw/zinc/08/36/26/205083626.db2.gz OIFFYQLKCQQXDB-XZOQPEGZSA-N 0 0 386.499 4.893 20 0 GJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1 ZINC000040848081 205072442 /nfs/dbraw/zinc/07/24/42/205072442.db2.gz XJXFROJLWMLVQH-UHFFFAOYSA-N 0 0 399.372 4.913 20 0 GJADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccccn1 ZINC000040919010 205076017 /nfs/dbraw/zinc/07/60/17/205076017.db2.gz NGPBWAIYXSUHFZ-UHFFFAOYSA-N 0 0 399.372 4.913 20 0 GJADRN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C)cc1C ZINC000053355231 205136017 /nfs/dbraw/zinc/13/60/17/205136017.db2.gz GRZXSEVPIBKOSN-UHFFFAOYSA-N 0 0 379.287 4.711 20 0 GJADRN Cc1ccccc1-c1nnc(SCc2nc3cc(Cl)ccc3n2C)n1C ZINC000053471995 205136950 /nfs/dbraw/zinc/13/69/50/205136950.db2.gz GOJALOXYLUNJME-UHFFFAOYSA-N 0 0 383.908 4.623 20 0 GJADRN C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000056765020 205151766 /nfs/dbraw/zinc/15/17/66/205151766.db2.gz QELVKCOGNHULCM-IUODEOHRSA-N 0 0 375.856 4.886 20 0 GJADRN Cc1nc(-c2cccc(NC(=O)c3ccccc3C(=O)c3ccccc3)c2)no1 ZINC000064330012 205189150 /nfs/dbraw/zinc/18/91/50/205189150.db2.gz ZUYHQOVIQHRSSS-UHFFFAOYSA-N 0 0 383.407 4.528 20 0 GJADRN O=C(Nc1ncc(-c2ccccc2)s1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000071997708 205302171 /nfs/dbraw/zinc/30/21/71/205302171.db2.gz MGASNYMKOGHSSQ-PKOBYXMFSA-N 0 0 397.475 4.991 20 0 GJADRN COC(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)n1 ZINC000071996676 205302526 /nfs/dbraw/zinc/30/25/26/205302526.db2.gz HUUUOQNSHCSJBL-UHFFFAOYSA-N 0 0 382.803 4.566 20 0 GJADRN O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(Br)s1 ZINC000070134116 205278497 /nfs/dbraw/zinc/27/84/97/205278497.db2.gz ZGSHEYWMBWUESB-UHFFFAOYSA-N 0 0 379.106 4.790 20 0 GJADRN Cc1cc(C)c(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(C)n1 ZINC000097213832 205587243 /nfs/dbraw/zinc/58/72/43/205587243.db2.gz LOMKUHKGUIZMEE-UHFFFAOYSA-N 0 0 380.469 4.759 20 0 GJADRN C[C@@H](NS(=O)(=O)c1ccccc1Br)c1cccc2ccccc21 ZINC000007308772 205822393 /nfs/dbraw/zinc/82/23/93/205822393.db2.gz MESXADZPICVQJI-CYBMUJFWSA-N 0 0 390.302 4.642 20 0 GJADRN COc1ccc([C@@H](NC(=O)c2cc(Cl)ccc2Br)C2CC2)cc1 ZINC000097133961 206125587 /nfs/dbraw/zinc/12/55/87/206125587.db2.gz VUMREBUCTOIZQY-KRWDZBQOSA-N 0 0 394.696 4.992 20 0 GJADRN COc1ccc(NC(=O)c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cc1 ZINC000007769484 206222148 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