smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCn1ccc2ccc(C(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)cc21 ZINC000218159596 568475880 /nfs/dbraw/zinc/47/58/80/568475880.db2.gz VNDLXVGVRLHANM-QFIPXVFZSA-N 0 0 404.514 4.302 50 70 HIIARN COCc1nc(-c2cccc(NC(=O)CCCc3cn(C)c4ccccc34)c2)n[nH]1 ZINC000218378745 568479555 /nfs/dbraw/zinc/47/95/55/568479555.db2.gz UPSJZPHHWHKMCI-UHFFFAOYSA-N 0 0 403.486 4.071 50 70 HIIARN COc1ccc(C2(C(=O)NCCc3nc4ccccc4n3C(C)C)CCOCC2)cc1 ZINC000218459614 568480670 /nfs/dbraw/zinc/48/06/70/568480670.db2.gz JVOHJEKBGPBBNH-UHFFFAOYSA-N 0 0 421.541 4.033 50 70 HIIARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1cn2ccsc2n1 ZINC000218568664 568882019 /nfs/dbraw/zinc/88/20/19/568882019.db2.gz WTNKIUQLQLNFOV-QGZVFWFLSA-N 0 0 412.515 4.401 50 70 HIIARN C[C@](O)(CNC(=O)COc1cccc2c1OC(C)(C)C2)c1cc2ccccc2s1 ZINC000217505682 568886333 /nfs/dbraw/zinc/88/63/33/568886333.db2.gz LKGHPLLQAUMSKP-QHCPKHFHSA-N 0 0 411.523 4.018 50 70 HIIARN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](CC(C)C)CC(=O)O4)cc1O ZINC000217820297 568914071 /nfs/dbraw/zinc/91/40/71/568914071.db2.gz DESWRZBNVXTDFI-CYBMUJFWSA-N 0 0 410.422 4.319 50 70 HIIARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1cn2ccsc2n1 ZINC000218568760 569319172 /nfs/dbraw/zinc/31/91/72/569319172.db2.gz WTNKIUQLQLNFOV-KRWDZBQOSA-N 0 0 412.515 4.401 50 70 HIIARN COc1cc2c(cc1OC)CN(C(=O)c1cc(C(C)C)nn1-c1ccccc1)CC2 ZINC000218139739 568475704 /nfs/dbraw/zinc/47/57/04/568475704.db2.gz KRXXFURZCCGAKH-UHFFFAOYSA-N 0 0 405.498 4.211 50 70 HIIARN Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@H](c1nc2ccccc2n1C)C(C)C ZINC000218156307 568475868 /nfs/dbraw/zinc/47/58/68/568475868.db2.gz JOCLYIZCOZGSHG-QFIPXVFZSA-N 0 0 419.504 4.467 50 70 HIIARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C(C)C ZINC000218211804 568476417 /nfs/dbraw/zinc/47/64/17/568476417.db2.gz FMYCCRUIGMMKRB-VGSWGCGISA-N 0 0 422.529 4.072 50 70 HIIARN O=C(CSc1nc2ccccc2s1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217663124 568903591 /nfs/dbraw/zinc/90/35/91/568903591.db2.gz BPIJUOWJBSYASM-MRXNPFEDSA-N 0 0 421.551 4.121 50 70 HIIARN O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217801942 568913610 /nfs/dbraw/zinc/91/36/10/568913610.db2.gz VWSAXVLTQRKSSH-LBPRGKRZSA-N 0 0 419.378 4.388 50 70 HIIARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217809240 568913657 /nfs/dbraw/zinc/91/36/57/568913657.db2.gz AXERCJCNKIQVLX-CQSZACIVSA-N 0 0 403.910 4.239 50 70 HIIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1 ZINC000217835173 568915378 /nfs/dbraw/zinc/91/53/78/568915378.db2.gz ZWUFXKFAJPLSTH-GUCAUAJOSA-N 0 0 423.538 4.300 50 70 HIIARN COc1cccc(NC(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)c1OC ZINC000217880913 568917429 /nfs/dbraw/zinc/91/74/29/568917429.db2.gz DMAIZVSJJDRKEF-UHFFFAOYSA-N 0 0 412.515 4.328 50 70 HIIARN COC(=O)C[C@@H](c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O)C1CCCCC1 ZINC000217978354 568921803 /nfs/dbraw/zinc/92/18/03/568921803.db2.gz AVZJTWULADQUNW-HXUWFJFHSA-N 0 0 413.514 4.038 50 70 HIIARN COc1ccc(CCNC(=O)c2sc(Cl)nc2-c2ccccc2)cc1OC ZINC000218466794 568480776 /nfs/dbraw/zinc/48/07/76/568480776.db2.gz IXLRQHFDNOCNDO-UHFFFAOYSA-N 0 0 402.903 4.453 50 70 HIIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)CC(C)C)o1 ZINC000217747577 568909324 /nfs/dbraw/zinc/90/93/24/568909324.db2.gz GHQVEWJDTGCKIN-INIZCTEOSA-N 0 0 408.498 4.240 50 70 HIIARN Cn1nc(CN(Cc2ccco2)C(=O)c2ccc(OC(F)(F)F)cc2)c2c1CCC2 ZINC000217905364 568919090 /nfs/dbraw/zinc/91/90/90/568919090.db2.gz NEDYECXOIBNTTM-UHFFFAOYSA-N 0 0 419.403 4.243 50 70 HIIARN Cc1c(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)cnn1-c1ccccc1 ZINC000217877069 568917293 /nfs/dbraw/zinc/91/72/93/568917293.db2.gz QACFWCFDLIKLNG-UHFFFAOYSA-N 0 0 417.538 4.413 50 70 HIIARN Cc1cc(OCC(=O)N2CCCC[C@H]2c2cccnc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000218031777 568923582 /nfs/dbraw/zinc/92/35/82/568923582.db2.gz ZIMJUJMTCLLKNB-FQEVSTJZSA-N 0 0 418.493 4.118 50 70 HIIARN Cn1c(CCCCCNC(=O)c2cnc3ccc(F)cc3c2O)nc2ccccc21 ZINC000218213075 568476489 /nfs/dbraw/zinc/47/64/89/568476489.db2.gz XUXQEOAJRFZUFE-UHFFFAOYSA-N 0 0 406.461 4.109 50 70 HIIARN CC(C)n1c(CCNC(=O)CC2(n3cccc3)CCSCC2)nc2ccccc21 ZINC000218289016 568477691 /nfs/dbraw/zinc/47/76/91/568477691.db2.gz WUDBQFXPHRGDEH-UHFFFAOYSA-N 0 0 410.587 4.390 50 70 HIIARN CSCC[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nc2ccccc2n1C ZINC000218351940 568478977 /nfs/dbraw/zinc/47/89/77/568478977.db2.gz XAQDCPZSURCJEZ-IBGZPJMESA-N 0 0 409.555 4.051 50 70 HIIARN COCCn1cc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c2ccccc21 ZINC000218503635 568481165 /nfs/dbraw/zinc/48/11/65/568481165.db2.gz MCMHYFZVPUQHKE-QFIPXVFZSA-N 0 0 404.514 4.302 50 70 HIIARN O=C(c1cnc2c(Cl)cccc2c1O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218237466 568836785 /nfs/dbraw/zinc/83/67/85/568836785.db2.gz HPYJKKZMAWRGQY-UHFFFAOYSA-N 0 0 417.292 4.371 50 70 HIIARN CN(C)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)cc1 ZINC000217799166 568912862 /nfs/dbraw/zinc/91/28/62/568912862.db2.gz UEJXDOKSHJDFSJ-INIZCTEOSA-N 0 0 408.477 4.037 50 70 HIIARN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](CC(C)C)CC(=O)O4)cc1O ZINC000217820208 568914017 /nfs/dbraw/zinc/91/40/17/568914017.db2.gz DESWRZBNVXTDFI-ZDUSSCGKSA-N 0 0 410.422 4.319 50 70 HIIARN CC(=O)N1CC(Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)=CC1=O ZINC000217970106 568921319 /nfs/dbraw/zinc/92/13/19/568921319.db2.gz BMLCLNYYWDWLBD-UHFFFAOYSA-N 0 0 402.450 4.268 50 70 HIIARN COc1cccc([C@@H](C)N2CCN(C(=O)c3cc(Cl)cc4cccnc43)CC2)c1 ZINC000216848119 568468221 /nfs/dbraw/zinc/46/82/21/568468221.db2.gz GQIQTKVIXBSTQC-MRXNPFEDSA-N 0 0 409.917 4.416 50 70 HIIARN Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)[NH+]3CCCCCC3)c([O-])n2n1 ZINC000218509893 568481190 /nfs/dbraw/zinc/48/11/90/568481190.db2.gz ORHVACSPHPWESG-OAHLLOKOSA-N 0 0 408.474 4.372 50 70 HIIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000218290009 568837444 /nfs/dbraw/zinc/83/74/44/568837444.db2.gz LXFAFBFXWSNWLT-MRXNPFEDSA-N 0 0 418.375 4.386 50 70 HIIARN COc1ccc([C@@H](O)CNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000217495922 568885502 /nfs/dbraw/zinc/88/55/02/568885502.db2.gz JWPRXVBEWNWVEB-QFIPXVFZSA-N 0 0 405.494 4.076 50 70 HIIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NC1CCCCCC1 ZINC000217690548 568905970 /nfs/dbraw/zinc/90/59/70/568905970.db2.gz QPRDAHXRWTVVEO-HSZRJFAPSA-N 0 0 417.509 4.031 50 70 HIIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)CC(C)C)o1 ZINC000217747495 568909333 /nfs/dbraw/zinc/90/93/33/568909333.db2.gz GHQVEWJDTGCKIN-MRXNPFEDSA-N 0 0 408.498 4.240 50 70 HIIARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217809035 568913607 /nfs/dbraw/zinc/91/36/07/568913607.db2.gz MPPNYOZSBUWFMQ-GFCCVEGCSA-N 0 0 410.301 4.114 50 70 HIIARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217809127 568913617 /nfs/dbraw/zinc/91/36/17/568913617.db2.gz MPPNYOZSBUWFMQ-LBPRGKRZSA-N 0 0 410.301 4.114 50 70 HIIARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccccn2)cc1 ZINC000218053389 568924934 /nfs/dbraw/zinc/92/49/34/568924934.db2.gz JUFLMJGHWOUCAU-QHCPKHFHSA-N 0 0 416.481 4.076 50 70 HIIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@H]2CCCc3c4cc(OC)ccc4[nH]c32)cc1 ZINC000217750085 568473647 /nfs/dbraw/zinc/47/36/47/568473647.db2.gz XZJOHQBJSOHSFY-NRFANRHFSA-N 0 0 416.481 4.383 50 70 HIIARN CC1(C)Cc2cccc(OCC(=O)N(CCc3cccs3)C3CCOCC3)c2O1 ZINC000217495124 568885571 /nfs/dbraw/zinc/88/55/71/568885571.db2.gz LJRMRWNTFBOOJY-UHFFFAOYSA-N 0 0 415.555 4.091 50 70 HIIARN CC(C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C(C)C ZINC000218379493 568840109 /nfs/dbraw/zinc/84/01/09/568840109.db2.gz LQZOPWYDBALQOJ-KNQAVFIVSA-N 0 0 404.514 4.305 50 70 HIIARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C(C)C ZINC000218211882 568476505 /nfs/dbraw/zinc/47/65/05/568476505.db2.gz FMYCCRUIGMMKRB-JTSKRJEESA-N 0 0 422.529 4.072 50 70 HIIARN O=C(c1cc(Br)ccc1Cl)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217589015 568895450 /nfs/dbraw/zinc/89/54/50/568895450.db2.gz XCKJVGDAQQWWAB-LJQANCHMSA-N 0 0 420.690 4.404 50 70 HIIARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217659574 568903411 /nfs/dbraw/zinc/90/34/11/568903411.db2.gz AMKOIPKPKKNPAB-LJQANCHMSA-N 0 0 414.431 4.370 50 70 HIIARN Cc1noc(-c2c3c(sc2NC(=O)CSc2ccc(F)cc2)COCC3)n1 ZINC000217964507 568921375 /nfs/dbraw/zinc/92/13/75/568921375.db2.gz NYRHJZAWHUNXLX-UHFFFAOYSA-N 0 0 405.476 4.049 50 70 HIIARN CC(C)CCNc1nc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cs1 ZINC000218428273 568931856 /nfs/dbraw/zinc/93/18/56/568931856.db2.gz RAOTWEOOKWYKTN-UHFFFAOYSA-N 0 0 407.967 4.378 50 70 HIIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 ZINC000217828435 569050939 /nfs/dbraw/zinc/05/09/39/569050939.db2.gz FCIJPZHQRSDJHI-KRWDZBQOSA-N 0 0 409.461 4.044 50 70 HIIARN O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217802004 568913602 /nfs/dbraw/zinc/91/36/02/568913602.db2.gz VWSAXVLTQRKSSH-GFCCVEGCSA-N 0 0 419.378 4.388 50 70 HIIARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217809327 568913669 /nfs/dbraw/zinc/91/36/69/568913669.db2.gz AXERCJCNKIQVLX-AWEZNQCLSA-N 0 0 403.910 4.239 50 70 HIIARN CCOc1ccc2ccccc2c1C(=O)NCCn1nc(-c2ccncc2)cc1C ZINC000217868535 568916923 /nfs/dbraw/zinc/91/69/23/568916923.db2.gz KMNNXPCDBWOPBR-UHFFFAOYSA-N 0 0 400.482 4.235 50 70 HIIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)CCn1ccc2ccc(F)cc21 ZINC000218314466 568478215 /nfs/dbraw/zinc/47/82/15/568478215.db2.gz ZQQROYMQIJSQPC-INIZCTEOSA-N 0 0 408.477 4.044 50 70 HIIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)cc1 ZINC000218478025 568480826 /nfs/dbraw/zinc/48/08/26/568480826.db2.gz OOLDRYGIAKRDSW-FQEVSTJZSA-N 0 0 403.486 4.099 50 70 HIIARN COCCn1cc(CC(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c2ccccc21 ZINC000218530104 568481456 /nfs/dbraw/zinc/48/14/56/568481456.db2.gz JWZRGHVKYNASBG-DEOSSOPVSA-N 0 0 418.541 4.230 50 70 HIIARN O=C(CCc1ccc(Cl)c(Cl)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217672281 568904936 /nfs/dbraw/zinc/90/49/36/568904936.db2.gz PEHYTEYKJCYZCO-UHFFFAOYSA-N 0 0 401.297 4.268 50 70 HIIARN Cc1ccccc1-c1noc(C[C@H]2CCCN(S(=O)(=O)/C=C/c3ccccc3)C2)n1 ZINC000217835238 568915282 /nfs/dbraw/zinc/91/52/82/568915282.db2.gz ZWUFXKFAJPLSTH-UPTIQUDWSA-N 0 0 423.538 4.300 50 70 HIIARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)Nc2ccccn2)cc1 ZINC000218053319 568924933 /nfs/dbraw/zinc/92/49/33/568924933.db2.gz JUFLMJGHWOUCAU-HSZRJFAPSA-N 0 0 416.481 4.076 50 70 HIIARN COc1cccc2c(O)c(C(=O)NCCCc3nc4ccccc4n3C(C)C)cnc12 ZINC000217982195 569039130 /nfs/dbraw/zinc/03/91/30/569039130.db2.gz BBIYTKMANCVPKG-UHFFFAOYSA-N 0 0 418.497 4.242 50 70 HIIARN Cn1ccnc1C(=O)c1cccc(NC(=O)CCCc2cn(C)c3ccccc23)c1 ZINC000218158318 568475839 /nfs/dbraw/zinc/47/58/39/568475839.db2.gz BMSNCOMELRBNKL-UHFFFAOYSA-N 0 0 400.482 4.104 50 70 HIIARN COC(=O)C[C@@H](c1cccc2ccccc21)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218255338 568837077 /nfs/dbraw/zinc/83/70/77/568837077.db2.gz QFBPCKKNQGNVJX-NRFANRHFSA-N 0 0 421.493 4.180 50 70 HIIARN COc1cccc([C@@H]2SCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000217646725 568901745 /nfs/dbraw/zinc/90/17/45/568901745.db2.gz VPQIEVGXHIMOIK-FQEVSTJZSA-N 0 0 416.524 4.095 50 70 HIIARN COc1ccc2c(cc(C(=O)N[C@H]3CCCc4c5cc(OC)ccc5[nH]c43)n2C)c1 ZINC000217866729 568474216 /nfs/dbraw/zinc/47/42/16/568474216.db2.gz SDJLWBDYSPHXHP-FQEVSTJZSA-N 0 0 403.482 4.484 50 70 HIIARN COc1ccccc1-c1cc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)[nH]n1 ZINC000218260093 568476958 /nfs/dbraw/zinc/47/69/58/568476958.db2.gz PMOUFMOLKUTIMK-NRFANRHFSA-N 0 0 403.486 4.099 50 70 HIIARN C[C@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2s1 ZINC000217514446 568887793 /nfs/dbraw/zinc/88/77/93/568887793.db2.gz NNWVRVORPWFQGS-KRWDZBQOSA-N 0 0 415.458 4.106 50 70 HIIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)n1 ZINC000217825781 568914713 /nfs/dbraw/zinc/91/47/13/568914713.db2.gz JUWBXTGUZWIUIE-INIZCTEOSA-N 0 0 418.453 4.388 50 70 HIIARN O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000217871967 568917217 /nfs/dbraw/zinc/91/72/17/568917217.db2.gz FVRYIZCQPCHMEG-SFHVURJKSA-N 0 0 400.386 4.312 50 70 HIIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCCn1ccc2ccc(Cl)cc21 ZINC000218184749 568476003 /nfs/dbraw/zinc/47/60/03/568476003.db2.gz FSIIOZQFRVEHMK-UHFFFAOYSA-N 0 0 408.889 4.024 50 70 HIIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 ZINC000218482362 568480830 /nfs/dbraw/zinc/48/08/30/568480830.db2.gz XZIJZOWZSFQAJS-IBGZPJMESA-N 0 0 421.526 4.186 50 70 HIIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1nc(Cl)sc1C(C)C ZINC000218287008 568837521 /nfs/dbraw/zinc/83/75/21/568837521.db2.gz KQUBYIQOUZOIIZ-LBPRGKRZSA-N 0 0 406.939 4.407 50 70 HIIARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217659658 568903644 /nfs/dbraw/zinc/90/36/44/568903644.db2.gz AMKOIPKPKKNPAB-IBGZPJMESA-N 0 0 414.431 4.370 50 70 HIIARN CN(C)c1ccc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)cc1 ZINC000217799082 568912843 /nfs/dbraw/zinc/91/28/43/568912843.db2.gz UEJXDOKSHJDFSJ-MRXNPFEDSA-N 0 0 408.477 4.037 50 70 HIIARN O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2cccc(O)c2)CC(=O)O1 ZINC000217720544 568907801 /nfs/dbraw/zinc/90/78/01/568907801.db2.gz HJSSYVBAEAMBRQ-INIZCTEOSA-N 0 0 416.385 4.018 50 70 HIIARN COc1cccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)c1OCCc1ccccc1 ZINC000218010048 568922570 /nfs/dbraw/zinc/92/25/70/568922570.db2.gz TZMNVDNPXJKCHC-GOSISDBHSA-N 0 0 406.434 4.019 50 70 HIIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@@H]2CCCc3c4cc(OC)ccc4[nH]c32)cc1 ZINC000217750004 568473653 /nfs/dbraw/zinc/47/36/53/568473653.db2.gz XZJOHQBJSOHSFY-OAQYLSRUSA-N 0 0 416.481 4.383 50 70 HIIARN CC(C)n1cnc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000217647115 568901764 /nfs/dbraw/zinc/90/17/64/568901764.db2.gz SRAFCPZRNORSPU-HNNXBMFYSA-N 0 0 406.360 4.207 50 70 HIIARN O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2cccc(O)c2)CC(=O)O1 ZINC000217720631 568907760 /nfs/dbraw/zinc/90/77/60/568907760.db2.gz HJSSYVBAEAMBRQ-MRXNPFEDSA-N 0 0 416.385 4.018 50 70 HIIARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1 ZINC000217911633 568919034 /nfs/dbraw/zinc/91/90/34/568919034.db2.gz PFSLCTWNBZOCHV-UHFFFAOYSA-N 0 0 421.520 4.033 50 70 HIIARN COc1ccc2c(ccn2CC(=O)N[C@@H](CCSC)c2nc3ccccc3n2C)c1 ZINC000218140088 568475788 /nfs/dbraw/zinc/47/57/88/568475788.db2.gz ZICKULWFQPONSA-IBGZPJMESA-N 0 0 422.554 4.147 50 70 HIIARN CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)OCCCO2)c1nc2ccccc2n1C ZINC000218207590 568476409 /nfs/dbraw/zinc/47/64/09/568476409.db2.gz MGXOAOGOLMGQNV-IBGZPJMESA-N 0 0 407.514 4.181 50 70 HIIARN C[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2s1 ZINC000217514363 568887802 /nfs/dbraw/zinc/88/78/02/568887802.db2.gz NNWVRVORPWFQGS-QGZVFWFLSA-N 0 0 415.458 4.106 50 70 HIIARN COc1cccc([C@H]2SCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000217646639 568901629 /nfs/dbraw/zinc/90/16/29/568901629.db2.gz VPQIEVGXHIMOIK-HXUWFJFHSA-N 0 0 416.524 4.095 50 70 HIIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)NCc3ccc(F)cc3)C2)n1 ZINC000217833511 568915367 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O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000218277437 568837497 /nfs/dbraw/zinc/83/74/97/568837497.db2.gz BQJUSXUKKSVATN-IBGZPJMESA-N 0 0 418.428 4.110 50 70 HIIARN CC(C)CNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217858324 568916549 /nfs/dbraw/zinc/91/65/49/568916549.db2.gz FCESEMVIEABCRB-HSZRJFAPSA-N 0 0 419.525 4.134 50 70 HIIARN COC(=O)C[C@H](c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O)C1CCCCC1 ZINC000217978431 568921822 /nfs/dbraw/zinc/92/18/22/568921822.db2.gz AVZJTWULADQUNW-FQEVSTJZSA-N 0 0 413.514 4.038 50 70 HIIARN Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)[NH+]3CCCCCC3)c([O-])n2n1 ZINC000218509802 568481188 /nfs/dbraw/zinc/48/11/88/568481188.db2.gz ORHVACSPHPWESG-HNNXBMFYSA-N 0 0 408.474 4.372 50 70 HIIARN Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)cs1 ZINC000218596899 568882978 /nfs/dbraw/zinc/88/29/78/568882978.db2.gz AEWJYGBMZMPQGC-UHFFFAOYSA-N 0 0 404.451 4.490 50 70 HIIARN CCC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)c(C)c1 ZINC000217484550 568884247 /nfs/dbraw/zinc/88/42/47/568884247.db2.gz GKDJQALMGLPTFJ-UHFFFAOYSA-N 0 0 406.573 4.195 50 70 HIIARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218419725 568480073 /nfs/dbraw/zinc/48/00/73/568480073.db2.gz WSUVXDGIINQQJF-UHFFFAOYSA-N 0 0 423.944 4.325 50 70 HIIARN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000218532834 568481514 /nfs/dbraw/zinc/48/15/14/568481514.db2.gz OZTPOXABOZTEHJ-FQEVSTJZSA-N 0 0 415.497 4.187 50 70 HIIARN COc1ccc2occ([C@@H]3CC(=O)Oc4ccc5c(=O)c(Cl)coc5c43)c(=O)c2c1 ZINC000217921409 568919773 /nfs/dbraw/zinc/91/97/73/568919773.db2.gz WWXSCEUKLSKQJY-LBPRGKRZSA-N 0 0 424.792 4.002 50 70 HIIARN CC(C)[C@H](NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O)c1nc2ccccc2n1C ZINC000218081883 568925340 /nfs/dbraw/zinc/92/53/40/568925340.db2.gz WASKHNDFDZODGL-VXKWHMMOSA-N 0 0 418.541 4.067 50 70 HIIARN COCCn1ccc2c1cccc2C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C ZINC000218296003 568477962 /nfs/dbraw/zinc/47/79/62/568477962.db2.gz OOEOSAFRELJUTM-QFIPXVFZSA-N 0 0 404.514 4.302 50 70 HIIARN COc1ccc([C@H](O)CNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000217495822 568885568 /nfs/dbraw/zinc/88/55/68/568885568.db2.gz JWPRXVBEWNWVEB-JOCHJYFZSA-N 0 0 405.494 4.076 50 70 HIIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NC1CCCCCC1 ZINC000217690647 568905958 /nfs/dbraw/zinc/90/59/58/568905958.db2.gz QPRDAHXRWTVVEO-QHCPKHFHSA-N 0 0 417.509 4.031 50 70 HIIARN O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000217872038 568917344 /nfs/dbraw/zinc/91/73/44/568917344.db2.gz FVRYIZCQPCHMEG-GOSISDBHSA-N 0 0 400.386 4.312 50 70 HIIARN O=S(=O)(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(Cl)s1 ZINC000217882223 568917910 /nfs/dbraw/zinc/91/79/10/568917910.db2.gz WRKKDCOLPZBVBT-UHFFFAOYSA-N 0 0 413.977 4.182 50 70 HIIARN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218046670 568924744 /nfs/dbraw/zinc/92/47/44/568924744.db2.gz QEHCQIGBUBCFCU-IBGZPJMESA-N 0 0 406.434 4.019 50 70 HIIARN COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)c1 ZINC000216852466 569025725 /nfs/dbraw/zinc/02/57/25/569025725.db2.gz MYRLGEPSDKKNPM-INIZCTEOSA-N 0 0 409.917 4.416 50 70 HIIARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@H](c1nc2ccccc2n1C(C)C)C(C)C ZINC000218539312 568481493 /nfs/dbraw/zinc/48/14/93/568481493.db2.gz AHNDRFGKLXGBPQ-QHCPKHFHSA-N 0 0 424.545 4.087 50 70 HIIARN COC(=O)C[C@H](c1cccc2ccccc21)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218255402 568837141 /nfs/dbraw/zinc/83/71/41/568837141.db2.gz QFBPCKKNQGNVJX-OAQYLSRUSA-N 0 0 421.493 4.180 50 70 HIIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000218277497 568837515 /nfs/dbraw/zinc/83/75/15/568837515.db2.gz BQJUSXUKKSVATN-LJQANCHMSA-N 0 0 418.428 4.110 50 70 HIIARN Cc1c(OCC(=O)N2CCCC[C@H]2c2cccnc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000217970770 568921426 /nfs/dbraw/zinc/92/14/26/568921426.db2.gz WTHUORAJHXVPHS-NRFANRHFSA-N 0 0 418.493 4.118 50 70 HIIARN Cc1cc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c(Cl)cc1Cl ZINC000217999319 568922450 /nfs/dbraw/zinc/92/24/50/568922450.db2.gz VDWULJDXGBMHIP-GOSISDBHSA-N 0 0 414.310 4.234 50 70 HIIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000218502982 568935523 /nfs/dbraw/zinc/93/55/23/568935523.db2.gz LUUQUJZZEAIVJC-SFHVURJKSA-N 0 0 424.478 4.376 50 70 HIIARN