smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000005072620 845079811 /nfs/dbraw/zinc/07/98/11/845079811.db2.gz XTMZLDMTKCINDM-AZINHNKBSA-N 0 0 414.490 4.357 50 30 HIEARN COc1cccc(N(C(C)=O)c2nc(/C=C3\COc4ccccc4C3=O)cs2)c1 ZINC000014241257 845933042 /nfs/dbraw/zinc/93/30/42/845933042.db2.gz IWGGKZQWIYCSMU-XNTDXEJSSA-N 0 0 406.463 4.495 50 30 HIEARN O=C1c2ccccc2C(NS(=O)(=O)c2ccc(F)cc2)=CC1=Nc1ccccc1 ZINC000018061169 846289675 /nfs/dbraw/zinc/28/96/75/846289675.db2.gz MTJRSAYEZSHDLI-LKUDQCMESA-N 0 0 406.438 4.196 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccccc1Br ZINC000018207560 846310311 /nfs/dbraw/zinc/31/03/11/846310311.db2.gz AFWHWSYXHVHKOE-UNOMPAQXSA-N 0 0 414.299 4.487 50 30 HIEARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C\C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000096920176 852558053 /nfs/dbraw/zinc/55/80/53/852558053.db2.gz NJHUEUNJBIQNPN-HJWRWDBZSA-N 0 0 421.884 4.429 50 30 HIEARN C[C@@H](OC(=O)/C=C\c1cccc2cccnc12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000096973086 852565908 /nfs/dbraw/zinc/56/59/08/852565908.db2.gz SVFAFJZPAXUNKG-QQBNSCQMSA-N 0 0 405.841 4.343 50 30 HIEARN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000098008719 852651250 /nfs/dbraw/zinc/65/12/50/852651250.db2.gz ABNPXOJMETZVHR-WMZJFQQLSA-N 0 0 423.387 4.005 50 30 HIEARN CCOC(=O)[C@](C)(F)OC(F)(F)[C@](C)(F)OC(F)(F)C(F)(F)C(F)(F)F ZINC000100523278 852658758 /nfs/dbraw/zinc/65/87/58/852658758.db2.gz QCMMOZMMCFWTBJ-RNFRBKRXSA-N 0 0 416.183 4.337 50 30 HIEARN Cc1nc2ccccc2n1/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 ZINC000100769491 852659352 /nfs/dbraw/zinc/65/93/52/852659352.db2.gz WGVJRSDANQSQQC-YYDJUVGSSA-N 0 0 407.470 4.476 50 30 HIEARN COc1cc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc(Cl)c1OC ZINC000254294600 854210313 /nfs/dbraw/zinc/21/03/13/854210313.db2.gz KUYYZSGVSYJICD-ZIAGYGMSSA-N 0 0 402.878 4.074 50 30 HIEARN COc1ccc(N=Cc2ccc(OC(F)F)cc2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000254477771 854211935 /nfs/dbraw/zinc/21/19/35/854211935.db2.gz QZOXIJLWWYGBIK-UHFFFAOYSA-N 0 0 424.469 4.222 50 30 HIEARN Cc1c(Cl)cccc1NC(=S)NN=C/C=C/c1cn(Cc2ccccc2)nn1 ZINC000254791256 854214248 /nfs/dbraw/zinc/21/42/48/854214248.db2.gz DBCFVVWDOLOCJL-MZMJOOCESA-N 0 0 410.934 4.274 50 30 HIEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000254836897 854215215 /nfs/dbraw/zinc/21/52/15/854215215.db2.gz VLOBRYZPKMZHCS-DYESRHJHSA-N 0 0 417.600 4.217 50 30 HIEARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=S)NC(C)C ZINC000254792121 854215262 /nfs/dbraw/zinc/21/52/62/854215262.db2.gz DFDGKWUQAJBJDC-UHFFFAOYSA-N 0 0 403.861 4.059 50 30 HIEARN Cc1ccc(N2C(=O)N(Cc3ccc(C#N)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000009664118 132342189 /nfs/dbraw/zinc/34/21/89/132342189.db2.gz POMYQHNXXWIFSE-UHFFFAOYSA-N 0 0 403.463 4.202 50 30 HIEARN N#Cc1c(COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn2ccccc12 ZINC000014728645 132460396 /nfs/dbraw/zinc/46/03/96/132460396.db2.gz NGQKHZKAYSHBQA-UHFFFAOYSA-N 0 0 404.426 4.066 50 30 HIEARN C#CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c1 ZINC000021726156 518332423 /nfs/dbraw/zinc/33/24/23/518332423.db2.gz GXEUVZDJRJUACX-QGZVFWFLSA-N 0 0 414.490 4.277 50 30 HIEARN C=C(Br)Cn1c(Br)nc(Br)c1Br ZINC000225793178 518584922 /nfs/dbraw/zinc/58/49/22/518584922.db2.gz IMDYWBBYWZRLMD-UHFFFAOYSA-N 0 0 423.728 4.079 50 30 HIEARN C=CCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)Cc1ccccc1 ZINC000036106302 518796867 /nfs/dbraw/zinc/79/68/67/518796867.db2.gz DGYQTXUCCVIPAQ-UHFFFAOYSA-N 0 0 408.523 4.488 50 30 HIEARN C=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2cccc(F)c2)c2cccc(C)c21 ZINC000032097301 518844196 /nfs/dbraw/zinc/84/41/96/518844196.db2.gz PLRSJSAOWYXUBC-QHCPKHFHSA-N 0 0 402.429 4.130 50 30 HIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(F)cc1 ZINC000037546733 518886542 /nfs/dbraw/zinc/88/65/42/518886542.db2.gz UHWSNAOAZCYARN-UHFFFAOYSA-N 0 0 409.461 4.356 50 30 HIEARN C=CCNC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccccc1Cl ZINC000008726092 518932012 /nfs/dbraw/zinc/93/20/12/518932012.db2.gz FBEAWAROILXCAH-UHFFFAOYSA-N 0 0 403.873 4.111 50 30 HIEARN C=CCNC(=O)c1cc2scc(Br)c2n1Cc1ccccc1OC ZINC000037544335 518934572 /nfs/dbraw/zinc/93/45/72/518934572.db2.gz RPWAQTYEYMCQSW-UHFFFAOYSA-N 0 0 405.317 4.438 50 30 HIEARN C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000000985716 519228650 /nfs/dbraw/zinc/22/86/50/519228650.db2.gz YDHHOMSNFBQPEE-ZDUSSCGKSA-N 0 0 420.600 4.450 50 30 HIEARN C=CCn1c(SCC(=O)c2c[nH]c3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000009283862 519229895 /nfs/dbraw/zinc/22/98/95/519229895.db2.gz NPHDQMRKDJXJEY-UHFFFAOYSA-N 0 0 419.466 4.496 50 30 HIEARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000040051063 519481772 /nfs/dbraw/zinc/48/17/72/519481772.db2.gz QJZYYZUEEGTRHX-VWLOTQADSA-N 0 0 407.473 4.384 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000002055313 520205914 /nfs/dbraw/zinc/20/59/14/520205914.db2.gz VYVJVUQEKKDZNN-FQEVSTJZSA-N 0 0 411.498 4.030 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000002055221 520207242 /nfs/dbraw/zinc/20/72/42/520207242.db2.gz CQBFXLHUNCZIFJ-NRFANRHFSA-N 0 0 413.514 4.261 50 30 HIEARN CC1(C)C(=O)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1N1CCOCC1 ZINC000015729225 520239344 /nfs/dbraw/zinc/23/93/44/520239344.db2.gz MCUJBXKCHARLHB-CYSAALDASA-N 0 0 421.585 4.128 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000027533720 520533765 /nfs/dbraw/zinc/53/37/65/520533765.db2.gz LDQXANMRUYLVBB-WQRHYEAKSA-N 0 0 409.463 4.267 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000102873866 520555982 /nfs/dbraw/zinc/55/59/82/520555982.db2.gz AJSDTIPUPLRZCF-JBCNATCCSA-N 0 0 409.482 4.234 50 30 HIEARN CCOc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1OC ZINC000033689195 520637333 /nfs/dbraw/zinc/63/73/33/520637333.db2.gz UDJHYVORQRDRKH-ZSOIEALJSA-N 0 0 417.527 4.021 50 30 HIEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cn(CC)c3ccc(OC)cc13)C2=O ZINC000028182641 520805164 /nfs/dbraw/zinc/80/51/64/520805164.db2.gz GXLQEMKQAHTKMV-YVNNLAQVSA-N 0 0 421.449 4.228 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000020806829 520805427 /nfs/dbraw/zinc/80/54/27/520805427.db2.gz BPYVASCAHFBEJE-QHCPKHFHSA-N 0 0 419.500 4.498 50 30 HIEARN CCN1C/C(=C/c2cccc(OC)c2OC)C(=O)/C(=C\c2cccc(OC)c2OC)C1 ZINC000096797721 521542288 /nfs/dbraw/zinc/54/22/88/521542288.db2.gz RFNXRLVGGAQWGE-AXPXABNXSA-N 0 0 423.509 4.093 50 30 HIEARN CCN1C/C(=C\c2cccc(OC)c2OC)C(=O)/C(=C/c2cccc(OC)c2OC)C1 ZINC000096797722 521542441 /nfs/dbraw/zinc/54/24/41/521542441.db2.gz RFNXRLVGGAQWGE-IWGRKNQJSA-N 0 0 423.509 4.093 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2C)Nc2ccc(OC)cc2)c(C)n1 ZINC000032972949 521650753 /nfs/dbraw/zinc/65/07/53/521650753.db2.gz WLEDWTRHESTICK-UHFFFAOYSA-N 0 0 419.529 4.317 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2)Nc2cccc(OC)c2)c(C)n1 ZINC000032972825 521650794 /nfs/dbraw/zinc/65/07/94/521650794.db2.gz AILUNBFRWAADNA-UHFFFAOYSA-N 0 0 405.502 4.008 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(F)cc2)c(C)n1 ZINC000032973049 521650967 /nfs/dbraw/zinc/65/09/67/521650967.db2.gz FLPFFHCXHWKATQ-UHFFFAOYSA-N 0 0 407.493 4.447 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000100075973 521709853 /nfs/dbraw/zinc/70/98/53/521709853.db2.gz XOVXDEWEQNHSEI-FQEVSTJZSA-N 0 0 415.555 4.293 50 30 HIEARN COC(=O)c1ccc(/C=C\C(=O)c2ccc(OC)c(CSc3ncccn3)c2)cc1 ZINC000033400192 521936689 /nfs/dbraw/zinc/93/66/89/521936689.db2.gz XCQAAVLIVZUGAP-POHAHGRESA-N 0 0 420.490 4.460 50 30 HIEARN COC(=O)c1ccc(NC(=Nc2cccc(SC)c2)n2sc(C)cc2=N)cc1 ZINC000020344099 521939429 /nfs/dbraw/zinc/93/94/29/521939429.db2.gz JZAUSSDILJCDGQ-UHFFFAOYSA-N 0 0 412.540 4.494 50 30 HIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)c1 ZINC000024926447 522191587 /nfs/dbraw/zinc/19/15/87/522191587.db2.gz USNTWWJQBMZJJK-UHFFFAOYSA-N 0 0 406.419 4.095 50 30 HIEARN COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)c1 ZINC000040267432 522881689 /nfs/dbraw/zinc/88/16/89/522881689.db2.gz RPLPAYNXLYNSPB-SZNDQCEHSA-N 0 0 418.453 4.066 50 30 HIEARN COC(=O)C1=C(Nc2ccccc2Cl)SC(=Cc2ccc(O)cc2OC)C1=O ZINC000036257368 522897038 /nfs/dbraw/zinc/89/70/38/522897038.db2.gz RQKRTOAGBFXYTO-CXUHLZMHSA-N 0 0 417.870 4.208 50 30 HIEARN COc1cc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc(OC)c1OC ZINC000018196816 522970084 /nfs/dbraw/zinc/97/00/84/522970084.db2.gz IUQXAYANGKCLRJ-NRFANRHFSA-N 0 0 409.438 4.006 50 30 HIEARN COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(Br)cc1)=C2 ZINC000049543581 523021653 /nfs/dbraw/zinc/02/16/53/523021653.db2.gz CBRIPBVLBHVFML-UHFFFAOYSA-N 0 0 402.288 4.178 50 30 HIEARN COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCS4)cc1 ZINC000032954482 523320052 /nfs/dbraw/zinc/32/00/52/523320052.db2.gz FVIWCWRXLSYZRU-UHFFFAOYSA-N 0 0 401.538 4.110 50 30 HIEARN COc1ccc(CN=Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)cc1 ZINC000031857580 523462335 /nfs/dbraw/zinc/46/23/35/523462335.db2.gz NKZFEUMNXCVOLZ-MYYYXRDXSA-N 0 0 408.465 4.482 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(C)c2)Nc2cccc(F)c2)c1C ZINC000032973405 523634682 /nfs/dbraw/zinc/63/46/82/523634682.db2.gz LSCSVJTZHGDQSG-UHFFFAOYSA-N 0 0 421.520 4.408 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(C)c2)Nc2ccccc2F)c1C ZINC000032973355 523635151 /nfs/dbraw/zinc/63/51/51/523635151.db2.gz LATATYMUDKLMPX-UHFFFAOYSA-N 0 0 421.520 4.408 50 30 HIEARN COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccncc2)C4=O)cc1 ZINC000020649708 524040777 /nfs/dbraw/zinc/04/07/77/524040777.db2.gz PVELTSOWQULEMV-UUYOSTAYSA-N 0 0 400.434 4.059 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000019138425 524108852 /nfs/dbraw/zinc/10/88/52/524108852.db2.gz GYVXAWVGPYVNJL-JOCHJYFZSA-N 0 0 414.461 4.177 50 30 HIEARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000040288057 524186685 /nfs/dbraw/zinc/18/66/85/524186685.db2.gz SXFPEJWRKIBECI-VBKZILBWSA-N 0 0 406.417 4.197 50 30 HIEARN COc1ccccc1-c1nc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)n[nH]1 ZINC000048333347 524277858 /nfs/dbraw/zinc/27/78/58/524277858.db2.gz YUUCOVIMDFRMRM-SFHVURJKSA-N 0 0 403.442 4.033 50 30 HIEARN COc1ccccc1-n1cnnc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000012566673 524305241 /nfs/dbraw/zinc/30/52/41/524305241.db2.gz CGMRTQNXQOHNQL-BKUYFWCQSA-N 0 0 420.538 4.249 50 30 HIEARN Cc1cccc(NC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)n1 ZINC000033354040 524651463 /nfs/dbraw/zinc/65/14/63/524651463.db2.gz KAFZKFHFSJJRBH-MRVPVSSYSA-N 0 0 420.178 4.364 50 30 HIEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc4c(c2)OCO4)O3)C1 ZINC000020624632 525210064 /nfs/dbraw/zinc/21/00/64/525210064.db2.gz UUVNITKCSVJHDM-KGWFAZQESA-N 0 0 407.466 4.215 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(SC)cc3)C2)cc1 ZINC000009012805 525400107 /nfs/dbraw/zinc/40/01/07/525400107.db2.gz NYFYBTMDVDUYMS-OPAMFIHVSA-N 0 0 418.522 4.424 50 30 HIEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c1OC ZINC000020611576 525767858 /nfs/dbraw/zinc/76/78/58/525767858.db2.gz FOZVYOUQOFKHMO-STZFKDTASA-N 0 0 409.482 4.402 50 30 HIEARN Cc1ccc(-c2nc(NC(=O)Cn3c(-c4cccc(C)c4)n[nH]c3=S)n[nH]2)cc1 ZINC000028856101 525787199 /nfs/dbraw/zinc/78/71/99/525787199.db2.gz XGFTXBHYVYLKBI-UHFFFAOYSA-N 0 0 405.487 4.298 50 30 HIEARN Cc1ccc(-c2noc([C@@]3(C#N)Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)n2)cc1 ZINC000008780099 525883370 /nfs/dbraw/zinc/88/33/70/525883370.db2.gz IPYQTKGPGJMBNG-NFBKMPQASA-N 0 0 415.453 4.330 50 30 HIEARN N#C[C@H](C(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(C(F)(F)F)cn1 ZINC000041553039 526507419 /nfs/dbraw/zinc/50/74/19/526507419.db2.gz WPXVZZNLOLMIGW-AWEZNQCLSA-N 0 0 407.779 4.371 50 30 HIEARN N#C[C@H](c1nc2ccccc2nc1NC1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000032765211 526510693 /nfs/dbraw/zinc/51/06/93/526510693.db2.gz SNXTWYBXTJIJAP-LJQANCHMSA-N 0 0 410.474 4.162 50 30 HIEARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000328590618 526596304 /nfs/dbraw/zinc/59/63/04/526596304.db2.gz NWIZSTSAXLLQDO-UHFFFAOYSA-N 0 0 402.454 4.301 50 30 HIEARN Cc1occc1-c1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1C ZINC000007236615 526796827 /nfs/dbraw/zinc/79/68/27/526796827.db2.gz KMOOKQMREKGGNY-UHFFFAOYSA-N 0 0 415.906 4.076 50 30 HIEARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CN(CC2CC2)C/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000097284864 526946245 /nfs/dbraw/zinc/94/62/45/526946245.db2.gz ZOXHABRPYOYZME-QJUDHZBZSA-N 0 0 419.437 4.265 50 30 HIEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C12 ZINC000009450984 526967970 /nfs/dbraw/zinc/96/79/70/526967970.db2.gz AVYGLLBBZFRGMF-FQEVSTJZSA-N 0 0 421.388 4.140 50 30 HIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nnnn3[C@@H](c3c(Cl)cccc3Cl)C12 ZINC000018196290 527023883 /nfs/dbraw/zinc/02/38/83/527023883.db2.gz AOQIILXAEICVTE-XYZCENFISA-N 0 0 418.309 4.457 50 30 HIEARN O=c1[nH][nH]c2c1[C@H](c1cc(Cl)ccc1O)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018196314 527032903 /nfs/dbraw/zinc/03/29/03/527032903.db2.gz MTTDNTDKQWWVOC-JDNHERCYSA-N 0 0 413.886 4.494 50 30 HIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000033623826 527081190 /nfs/dbraw/zinc/08/11/90/527081190.db2.gz HIBCLXWJYPRJLD-XSFVSMFZSA-N 0 0 404.539 4.455 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000036395697 527325885 /nfs/dbraw/zinc/32/58/85/527325885.db2.gz SNZVZOJSEAEJPA-IBGZPJMESA-N 0 0 415.518 4.034 50 30 HIEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000013039389 527546338 /nfs/dbraw/zinc/54/63/38/527546338.db2.gz WVECYWKAESWMGJ-BUHFOSPRSA-N 0 0 423.900 4.197 50 30 HIEARN O=C(Nc1nnc2ccc(Cl)nn21)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000032860462 527585618 /nfs/dbraw/zinc/58/56/18/527585618.db2.gz HCBFVWUQJRIIIN-UHFFFAOYSA-N 0 0 421.873 4.328 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(F)c1)Nc1cccc(C)c1C ZINC000032973708 527622526 /nfs/dbraw/zinc/62/25/26/527622526.db2.gz WQWKXYHDBQDZIH-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(C)c1)Nc1ccccc1C ZINC000032973522 527622580 /nfs/dbraw/zinc/62/25/80/527622580.db2.gz QKFITQFMSCLDHC-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccccc1)Nc1ccc(Cl)cc1C ZINC000032973873 527623631 /nfs/dbraw/zinc/62/36/31/527623631.db2.gz PMDCRMRVYPVOKT-UHFFFAOYSA-N 0 0 423.948 4.439 50 30 HIEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000002396000 534988009 /nfs/dbraw/zinc/98/80/09/534988009.db2.gz WVSDPBMRQIYJFH-CEXWTWQISA-N 0 0 424.545 4.364 50 30 HIEARN COc1ccc(N2CCN(c3oc(/C=C/c4cccc(OC)c4)nc3C#N)CC2)cc1 ZINC000007275605 536704086 /nfs/dbraw/zinc/70/40/86/536704086.db2.gz LSYJREQSHOBYMQ-IZZDOVSWSA-N 0 0 416.481 4.060 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000000626375 557022782 /nfs/dbraw/zinc/02/27/82/557022782.db2.gz GABKXHQVSHHAAE-IBGZPJMESA-N 0 0 417.889 4.236 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000000649392 557038038 /nfs/dbraw/zinc/03/80/38/557038038.db2.gz CIAPRBFDUKDENW-QHCPKHFHSA-N 0 0 423.465 4.008 50 30 HIEARN O=S(=O)(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 ZINC000000657837 557041934 /nfs/dbraw/zinc/04/19/34/557041934.db2.gz HPNMQUUYHMGBGX-HYARGMPZSA-N 0 0 400.887 4.231 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000752197 557075498 /nfs/dbraw/zinc/07/54/98/557075498.db2.gz OTQQYRMAPJSXMG-QFIPXVFZSA-N 0 0 402.494 4.429 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000000805479 557086194 /nfs/dbraw/zinc/08/61/94/557086194.db2.gz SLLYVNANZOVWOX-HSZRJFAPSA-N 0 0 403.478 4.146 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000000815801 557090292 /nfs/dbraw/zinc/09/02/92/557090292.db2.gz HUNZAGODPWZEQB-HJPURHCSSA-N 0 0 407.466 4.131 50 30 HIEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)ccc1O ZINC000000815906 557090492 /nfs/dbraw/zinc/09/04/92/557090492.db2.gz CFFSWIJKYJMZAO-JYYJXNPCSA-N 0 0 422.481 4.022 50 30 HIEARN O=C(COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)Nc1ccc(F)cc1 ZINC000000980605 557130461 /nfs/dbraw/zinc/13/04/61/557130461.db2.gz GBNHARIVPGFONT-UHFFFAOYSA-N 0 0 401.393 4.306 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(C(C)=O)cc1 ZINC000000996760 557137916 /nfs/dbraw/zinc/13/79/16/557137916.db2.gz HNVPSYMUOGESIZ-MAVBTGMRSA-N 0 0 407.495 4.036 50 30 HIEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OC)c(C)c3)C(=O)N2C)cc1 ZINC000001012446 557141988 /nfs/dbraw/zinc/14/19/88/557141988.db2.gz VOTVNHHVHSHUDN-ZQRXGZGKSA-N 0 0 410.495 4.414 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001107227 557180705 /nfs/dbraw/zinc/18/07/05/557180705.db2.gz IVBIIYKBHXZVET-XOBRGWDASA-N 0 0 424.478 4.191 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccccn1 ZINC000001131170 557198554 /nfs/dbraw/zinc/19/85/54/557198554.db2.gz NLGXSRAGUXTLET-BXKMTCNYSA-N 0 0 418.493 4.015 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3Cl)S2)cc1 ZINC000001218479 557247480 /nfs/dbraw/zinc/24/74/80/557247480.db2.gz KYXWGMOYNPJYMB-PPAWOMOGSA-N 0 0 408.310 4.166 50 30 HIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccncc2)cc1OCc1ccccc1 ZINC000001245582 557251116 /nfs/dbraw/zinc/25/11/16/557251116.db2.gz RZUPCBDSLSSOAN-ZVHZXABRSA-N 0 0 417.494 4.099 50 30 HIEARN CN1c2ccccc2/C(=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)C1=O ZINC000001745040 557284303 /nfs/dbraw/zinc/28/43/03/557284303.db2.gz YZBPNKMNQFGNMN-FYWRMAATSA-N 0 0 404.278 4.232 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002055211 557302191 /nfs/dbraw/zinc/30/21/91/557302191.db2.gz FFYTXOKELSCCKM-NRFANRHFSA-N 0 0 411.498 4.169 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002055314 557302461 /nfs/dbraw/zinc/30/24/61/557302461.db2.gz VYVJVUQEKKDZNN-HXUWFJFHSA-N 0 0 411.498 4.030 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccn4)nc3c1[C@@H]2c1ccccc1 ZINC000002410018 557345544 /nfs/dbraw/zinc/34/55/44/557345544.db2.gz OPLVWUGWFWNJCY-LJQANCHMSA-N 0 0 423.476 4.354 50 30 HIEARN COc1ccc(C(=O)Oc2cccc(/C=N/NC(=S)NC3CCCCC3)c2)cc1 ZINC000002543058 557355787 /nfs/dbraw/zinc/35/57/87/557355787.db2.gz BUIVOZLIIAYUCA-HZHRSRAPSA-N 0 0 411.527 4.045 50 30 HIEARN CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCc2c[nH]c3ccccc23)C1=O ZINC000002910679 557425889 /nfs/dbraw/zinc/42/58/89/557425889.db2.gz NVPXLMDKHTZXFG-JXAWBTAJSA-N 0 0 414.461 4.188 50 30 HIEARN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc21 ZINC000004116307 557515615 /nfs/dbraw/zinc/51/56/15/557515615.db2.gz ONOKTFYAQLOIIC-NJDIQBRYSA-N 0 0 401.466 4.399 50 30 HIEARN N=C(CSc1ccc(C(F)(F)F)cn1)NOC(=O)Nc1cccc(Cl)c1 ZINC000004365243 557547320 /nfs/dbraw/zinc/54/73/20/557547320.db2.gz NZBWIVCRTNDLMC-UHFFFAOYSA-N 0 0 404.801 4.367 50 30 HIEARN CC(C)(C)C1=CC(=NOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C(C(C)(C)C)C1=O ZINC000004754813 557593262 /nfs/dbraw/zinc/59/32/62/557593262.db2.gz YBQCHRCSVYWTNN-UHFFFAOYSA-N 0 0 420.487 4.184 50 30 HIEARN CC(=O)c1ccc(N(C(C)=O)C2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000004772807 557596715 /nfs/dbraw/zinc/59/67/15/557596715.db2.gz NDQJALZQKKCPDE-UHFFFAOYSA-N 0 0 416.477 4.019 50 30 HIEARN O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914820 557613634 /nfs/dbraw/zinc/61/36/34/557613634.db2.gz DBANAICKNHJXGV-LRDDRELGSA-N 0 0 414.820 4.392 50 30 HIEARN O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004915939 557613937 /nfs/dbraw/zinc/61/39/37/557613937.db2.gz CLUKQSKTHOMFSS-GWCFXTLKSA-N 0 0 402.859 4.314 50 30 HIEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c(OC)c1 ZINC000004986709 557621001 /nfs/dbraw/zinc/62/10/01/557621001.db2.gz CCJKGTDWFVFPGB-CXAGYDPISA-N 0 0 411.885 4.362 50 30 HIEARN C/C(=N/N=C1\NC(=O)[C@H](Cc2ccc(Br)cc2)S1)c1ccccc1 ZINC000005047977 557629729 /nfs/dbraw/zinc/62/97/29/557629729.db2.gz TZBFKCQJZQMBGZ-IXGURIBZSA-N 0 0 402.317 4.003 50 30 HIEARN C=CCN1C(=O)[C@@H](Cc2ccccc2C)S/C1=N/N=C/c1ccc(OC)c(OC)c1 ZINC000005048313 557629982 /nfs/dbraw/zinc/62/99/82/557629982.db2.gz MRWHCGTZQWTARJ-ARGSHCIWSA-N 0 0 423.538 4.075 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2)cc1 ZINC000005354902 557646670 /nfs/dbraw/zinc/64/66/70/557646670.db2.gz MOSHTOKYUPKAHB-SFHVURJKSA-N 0 0 421.478 4.028 50 30 HIEARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3ccc(F)cc3)CC1=N2 ZINC000005390583 557650330 /nfs/dbraw/zinc/65/03/30/557650330.db2.gz WQKLYXWMBMBGKK-ASSNKEHSSA-N 0 0 410.399 4.420 50 30 HIEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](c3ccc(F)cc3)CC1=N2 ZINC000005390580 557650360 /nfs/dbraw/zinc/65/03/60/557650360.db2.gz WQKLYXWMBMBGKK-YEJXKQKISA-N 0 0 410.399 4.420 50 30 HIEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000005445527 557653977 /nfs/dbraw/zinc/65/39/77/557653977.db2.gz BKOCZVFNMZCGOD-HNNXBMFYSA-N 0 0 406.663 4.311 50 30 HIEARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005564318 557662240 /nfs/dbraw/zinc/66/22/40/557662240.db2.gz ZVTBNFAIUKLEJX-KRWDZBQOSA-N 0 0 424.570 4.105 50 30 HIEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)c1C ZINC000005593321 557663784 /nfs/dbraw/zinc/66/37/84/557663784.db2.gz YUUMSBBGBXTIAU-STZFKDTASA-N 0 0 407.539 4.340 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccncc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000005932380 557681428 /nfs/dbraw/zinc/68/14/28/557681428.db2.gz UJUAAOTZEIVVOF-SFHVURJKSA-N 0 0 416.506 4.022 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931334 557681441 /nfs/dbraw/zinc/68/14/41/557681441.db2.gz BXJNJJCREKDEQP-WBMJQRKESA-N 0 0 410.543 4.256 50 30 HIEARN C=CCN1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=N\N=C\c1ccco1 ZINC000006142415 557690478 /nfs/dbraw/zinc/69/04/78/557690478.db2.gz VPSUPNVJUMMGOX-DHXXWJELSA-N 0 0 418.316 4.105 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCCOC(C)C ZINC000006668082 557713188 /nfs/dbraw/zinc/71/31/88/557713188.db2.gz MUFFLIPSACVKBA-LJQANCHMSA-N 0 0 415.511 4.150 50 30 HIEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000006844628 557726706 /nfs/dbraw/zinc/72/67/06/557726706.db2.gz PJDOLCGOTSNFJM-UHFFFAOYSA-N 0 0 400.081 4.353 50 30 HIEARN CN=C(Nc1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000006859656 557727027 /nfs/dbraw/zinc/72/70/27/557727027.db2.gz CTJUWNGKZMQRED-INIZCTEOSA-N 0 0 405.882 4.060 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)cc1 ZINC000002807784 557767064 /nfs/dbraw/zinc/76/70/64/557767064.db2.gz BTYBNJFNRDTFRH-MFKUBSTISA-N 0 0 419.506 4.368 50 30 HIEARN CCOc1cc(C=NNc2nnc(SCc3ccccc3Cl)[nH]2)ccc1O ZINC000008254225 557778479 /nfs/dbraw/zinc/77/84/79/557778479.db2.gz HQLNDKQQLKGXTE-KEBDBYFISA-N 0 0 403.895 4.301 50 30 HIEARN Cc1cccc(/C=C/C(=O)c2cc(Br)cc(Br)c(=O)c2O)c1 ZINC000008397926 557786086 /nfs/dbraw/zinc/78/60/86/557786086.db2.gz CWWYYQVEMJZDJJ-AATRIKPKSA-N 0 0 424.088 4.482 50 30 HIEARN CCCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000008434863 557788607 /nfs/dbraw/zinc/78/86/07/557788607.db2.gz YKIHGVDBCPLPKT-UHFFFAOYSA-N 0 0 400.548 4.076 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008738849 557803433 /nfs/dbraw/zinc/80/34/33/557803433.db2.gz ZJEQYAGIHWSUAS-HXUWFJFHSA-N 0 0 420.490 4.320 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(OC)cc2OC)c1=O ZINC000097474814 557809359 /nfs/dbraw/zinc/80/93/59/557809359.db2.gz OBUWYASQHPGXCY-POHAHGRESA-N 0 0 418.287 4.154 50 30 HIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000009483186 557843992 /nfs/dbraw/zinc/84/39/92/557843992.db2.gz UJYYKHGLJWINOJ-DEOSSOPVSA-N 0 0 403.526 4.357 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000019811159 558286849 /nfs/dbraw/zinc/28/68/49/558286849.db2.gz CHEBPMJXKFXPAR-OPAMFIHVSA-N 0 0 422.550 4.349 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000019898392 558304363 /nfs/dbraw/zinc/30/43/63/558304363.db2.gz JAVVBGNXWZUGRM-OPAMFIHVSA-N 0 0 418.449 4.129 50 30 HIEARN Cc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc4ccccc43)[nH]2)o1 ZINC000020407299 558360451 /nfs/dbraw/zinc/36/04/51/558360451.db2.gz MZFITTKYGYQYGH-SRZZPIQSSA-N 0 0 406.471 4.036 50 30 HIEARN CCOc1ccc(N(CCC#N)C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000010730286 558431410 /nfs/dbraw/zinc/43/14/10/558431410.db2.gz HHDPOQXHDYZWQS-UHFFFAOYSA-N 0 0 424.541 4.482 50 30 HIEARN CCOC(=O)C(N=Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000012625449 558440080 /nfs/dbraw/zinc/44/00/80/558440080.db2.gz YFXCJWRVZIUNEI-DAFNUICNSA-N 0 0 417.421 4.476 50 30 HIEARN O=S(=O)(N=C(NCc1ccccc1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000013153372 558524100 /nfs/dbraw/zinc/52/41/00/558524100.db2.gz DTSDNADUUUPBPU-UHFFFAOYSA-N 0 0 402.878 4.404 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000013162921 558524484 /nfs/dbraw/zinc/52/44/84/558524484.db2.gz PLGIFTQLWILHGZ-QFIPXVFZSA-N 0 0 423.509 4.336 50 30 HIEARN O=C(Cc1nc2cc3[nH]c(=O)[nH]c3cc2[nH]c1=O)c1ccc(C2CCCCC2)cc1 ZINC000013284054 558529104 /nfs/dbraw/zinc/52/91/04/558529104.db2.gz XFGLZLPJLUFOLU-UDWIEESQSA-N 0 0 402.454 4.035 50 30 HIEARN COc1cccc([C@H]2NN(C)C(=S)S/C2=N/OC(=O)c2ccc(Cl)cc2)c1 ZINC000013466549 558533490 /nfs/dbraw/zinc/53/34/90/558533490.db2.gz LKPLOKRAYKKORS-JJTVEENBSA-N 0 0 421.931 4.028 50 30 HIEARN CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1 ZINC000013468755 558533537 /nfs/dbraw/zinc/53/35/37/558533537.db2.gz GGYFZBMGKLTGJM-UHFFFAOYSA-N 0 0 404.344 4.273 50 30 HIEARN O=c1oc2ccccc2cc1-c1csc(N/C=C2\C(=O)Oc3ccccc3C2=O)n1 ZINC000013565057 558541070 /nfs/dbraw/zinc/54/10/70/558541070.db2.gz FBIZPWGRIUVMEG-GDNBJRDFSA-N 0 0 416.414 4.014 50 30 HIEARN CCc1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)Nc2nc(C)cc(C)n2)cc1 ZINC000013756914 558590596 /nfs/dbraw/zinc/59/05/96/558590596.db2.gz DIDSIPRHMKNLNB-UHFFFAOYSA-N 0 0 423.542 4.233 50 30 HIEARN CN(C)c1ccc(/C=N/N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 ZINC000013774435 558592228 /nfs/dbraw/zinc/59/22/28/558592228.db2.gz TWESMUXYFSDURT-JWZHWXDPSA-N 0 0 410.568 4.054 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000014231378 558640036 /nfs/dbraw/zinc/64/00/36/558640036.db2.gz HNEYAPWWZCLYNX-VGOCLEQBSA-N 0 0 408.542 4.122 50 30 HIEARN C#CCN(C[C@@H]1CCCO1)C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000072268233 558671514 /nfs/dbraw/zinc/67/15/14/558671514.db2.gz SUTOXSBLCPEGNK-KRWDZBQOSA-N 0 0 403.935 4.096 50 30 HIEARN N#Cc1ccccc1OCC(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000072288568 558720387 /nfs/dbraw/zinc/72/03/87/558720387.db2.gz GZVDMFPHXMKRRV-IBGZPJMESA-N 0 0 406.873 4.344 50 30 HIEARN CN(C)c1ccc(/C=N/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000016713108 558801872 /nfs/dbraw/zinc/80/18/72/558801872.db2.gz VZXDTSOMVXRVOU-CBVHTYNASA-N 0 0 421.353 4.224 50 30 HIEARN COc1ccc2nc(NC(=O)C(=O)[C@H](C#N)c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000017189787 558825250 /nfs/dbraw/zinc/82/52/50/558825250.db2.gz ZHAWBQJIDJILLG-LLVKDONJSA-N 0 0 420.277 4.427 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1cccs1 ZINC000004594215 558832047 /nfs/dbraw/zinc/83/20/47/558832047.db2.gz OZWBEGNUWMFWCB-UHFFFAOYSA-N 0 0 412.486 4.337 50 30 HIEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000018250774 558834870 /nfs/dbraw/zinc/83/48/70/558834870.db2.gz XZRCJLUGIDIOKV-XMMPIXPASA-N 0 0 420.509 4.485 50 30 HIEARN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)cc1 ZINC000018254776 558834909 /nfs/dbraw/zinc/83/49/09/558834909.db2.gz FAVLVUUQDSFSTO-QNGOZBTKSA-N 0 0 423.538 4.122 50 30 HIEARN CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)NC2=O)c(OC)c1 ZINC000018254796 558835098 /nfs/dbraw/zinc/83/50/98/558835098.db2.gz OSLDRFZLCBXKSQ-DEDYPNTBSA-N 0 0 411.527 4.442 50 30 HIEARN COc1ccc(-c2oc(/N=C/N3CCOCC3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000018324438 558835620 /nfs/dbraw/zinc/83/56/20/558835620.db2.gz DMDYKLQVNPROFL-WGOQTCKBSA-N 0 0 417.465 4.494 50 30 HIEARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC)cc1 ZINC000013524379 558836062 /nfs/dbraw/zinc/83/60/62/558836062.db2.gz RIKRPBVIRUJBCW-IBGZPJMESA-N 0 0 400.544 4.160 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nccc4-c3ccco3)sc2C1 ZINC000013644332 558849160 /nfs/dbraw/zinc/84/91/60/558849160.db2.gz CJTIUBFNXQHSCU-GFCCVEGCSA-N 0 0 403.467 4.300 50 30 HIEARN C=CCOc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000033088706 558871811 /nfs/dbraw/zinc/87/18/11/558871811.db2.gz XZHCOPYAUMTIKC-UHFFFAOYSA-N 0 0 420.490 4.309 50 30 HIEARN COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000019536193 558913776 /nfs/dbraw/zinc/91/37/76/558913776.db2.gz NXMOOZGTEGJPGD-JOCHJYFZSA-N 0 0 411.498 4.245 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1OC ZINC000097105080 558993885 /nfs/dbraw/zinc/99/38/85/558993885.db2.gz PHSGAVAEYCAKBB-XXBNENTESA-N 0 0 410.466 4.032 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(F)c1 ZINC000004736325 559035617 /nfs/dbraw/zinc/03/56/17/559035617.db2.gz CIWAIWUDTYQBKT-ZDUSSCGKSA-N 0 0 417.535 4.463 50 30 HIEARN COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCc2ccc(C#N)cc2F)cc1OC ZINC000011282733 559049262 /nfs/dbraw/zinc/04/92/62/559049262.db2.gz DBRJEDODZIUNFO-UHFFFAOYSA-N 0 0 414.433 4.056 50 30 HIEARN CCN1CCN(c2oc(-c3ccc(COc4ccccc4Cl)o3)nc2C#N)CC1 ZINC000033324485 559058266 /nfs/dbraw/zinc/05/82/66/559058266.db2.gz JSSRWIBCNFWJLD-UHFFFAOYSA-N 0 0 412.877 4.181 50 30 HIEARN O=C1c2cc(Br)ccc2N/C1=C1\Nc2ccc(Br)cc2C1=O ZINC000100360021 559134413 /nfs/dbraw/zinc/13/44/13/559134413.db2.gz YCBBRNFFVPXEGQ-YPKPFQOOSA-N 0 0 420.060 4.340 50 30 HIEARN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000100129397 559162125 /nfs/dbraw/zinc/16/21/25/559162125.db2.gz YJJUWHCQQJXVDG-QUCCMNQESA-N 0 0 402.494 4.285 50 30 HIEARN COc1ccc(C2CC(=O)C(=CNCCc3c(C)[nH]c4ccccc43)C(=O)C2)cc1 ZINC000100149829 559164575 /nfs/dbraw/zinc/16/45/75/559164575.db2.gz VUDXZRYGMFQTOS-UHFFFAOYSA-N 0 0 402.494 4.217 50 30 HIEARN C=CCSC1=N/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1c1ccc(OC)cc1 ZINC000004882860 559197484 /nfs/dbraw/zinc/19/74/84/559197484.db2.gz BSZWHWHBUCEGLV-AQTBWJFISA-N 0 0 410.495 4.375 50 30 HIEARN N#CCSc1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004890231 559198028 /nfs/dbraw/zinc/19/80/28/559198028.db2.gz DNQSJHIZVSWKRP-UHFFFAOYSA-N 0 0 419.506 4.458 50 30 HIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O ZINC000004973883 559221407 /nfs/dbraw/zinc/22/14/07/559221407.db2.gz REIHISXJZNQQOH-KVDJPTQJSA-N 0 0 415.490 4.087 50 30 HIEARN C=CCn1c(SCC(=O)OCCCCC)nc2sc3c(c2c1=O)CCCC3 ZINC000005006826 559227539 /nfs/dbraw/zinc/22/75/39/559227539.db2.gz LUKJOUGVKGBURB-UHFFFAOYSA-N 0 0 406.573 4.348 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc2ccccc21 ZINC000005045089 559236470 /nfs/dbraw/zinc/23/64/70/559236470.db2.gz RPORTKZCACFBAU-JOCHJYFZSA-N 0 0 417.461 4.073 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005051290 559237152 /nfs/dbraw/zinc/23/71/52/559237152.db2.gz WFNHNYCJEHMOFY-VXNXHJTFSA-N 0 0 422.481 4.302 50 30 HIEARN C/C(Cl)=N\OC(NC(=O)Nc1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F ZINC000100677818 559254469 /nfs/dbraw/zinc/25/44/69/559254469.db2.gz WXIFLJJOFGSKRC-MUDSWDHVSA-N 0 0 413.105 4.266 50 30 HIEARN COc1ccc(C)cc1CON=C(N)c1ccc(Cn2cnc3ccccc32)cc1 ZINC000062582056 559273852 /nfs/dbraw/zinc/27/38/52/559273852.db2.gz KPLTXVADFBXRLY-UHFFFAOYSA-N 0 0 400.482 4.239 50 30 HIEARN COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@H]2C(C)=O)cc1OC ZINC000000864374 559292244 /nfs/dbraw/zinc/29/22/44/559292244.db2.gz UKYUDHVJWJPQCG-DSNGMDLFSA-N 0 0 423.509 4.103 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 ZINC000017246565 560704752 /nfs/dbraw/zinc/70/47/52/560704752.db2.gz PLGIFTQLWILHGZ-JOCHJYFZSA-N 0 0 423.509 4.336 50 30 HIEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2nc3ccccc3n2C)cc1 ZINC000018118592 560776774 /nfs/dbraw/zinc/77/67/74/560776774.db2.gz BKSJDIKBPLJBRB-HZHRSRAPSA-N 0 0 404.495 4.433 50 30 HIEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccn4)nn3[C@H]2c2cccnc2)C1 ZINC000018199792 560782958 /nfs/dbraw/zinc/78/29/58/560782958.db2.gz VOYRSNKORNKJEZ-IBGZPJMESA-N 0 0 418.526 4.019 50 30 HIEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000018200412 560782985 /nfs/dbraw/zinc/78/29/85/560782985.db2.gz PMAHBORQZVEAIB-XIKOKIGWSA-N 0 0 400.360 4.306 50 30 HIEARN C=C(Cl)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000018274340 560785891 /nfs/dbraw/zinc/78/58/91/560785891.db2.gz RJTZWZZTUGTZPN-UHFFFAOYSA-N 0 0 412.294 4.001 50 30 HIEARN C=CCS[C@]1(Br)NC(c2ccc(OC)cc2)=C[C@H](c2ccco2)N1 ZINC000101320921 560791757 /nfs/dbraw/zinc/79/17/57/560791757.db2.gz PDHUDWLPRZRZEY-SJLPKXTDSA-N 0 0 407.333 4.489 50 30 HIEARN CCOc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000101347012 560793247 /nfs/dbraw/zinc/79/32/47/560793247.db2.gz NBQJCISXNRMYKU-UHFFFAOYSA-N 0 0 401.466 4.145 50 30 HIEARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(C)c1 ZINC000013098954 560793390 /nfs/dbraw/zinc/79/33/90/560793390.db2.gz PDMIJZOHWISSTB-UHFFFAOYSA-N 0 0 420.557 4.046 50 30 HIEARN CCCCc1ccc(N2/C(=N\C(=O)C(CC)CC)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101459513 560794924 /nfs/dbraw/zinc/79/49/24/560794924.db2.gz MFVPAAJCWBLOPQ-NJOYMBDGSA-N 0 0 422.616 4.067 50 30 HIEARN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102374335 560810657 /nfs/dbraw/zinc/81/06/57/560810657.db2.gz HRGFPDWRPHQPAX-MRJHHRETSA-N 0 0 418.449 4.084 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102540573 560814299 /nfs/dbraw/zinc/81/42/99/560814299.db2.gz WZUIFGAIBOUFMP-IBOXJLQUSA-N 0 0 410.253 4.045 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102579053 560816833 /nfs/dbraw/zinc/81/68/33/560816833.db2.gz FVUALOSPKKEIAI-AYWGPLOBSA-N 0 0 413.473 4.360 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000102804414 560826947 /nfs/dbraw/zinc/82/69/47/560826947.db2.gz UYFBXDYROPCMOD-YDJIHCHBSA-N 0 0 404.422 4.008 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000102804410 560826979 /nfs/dbraw/zinc/82/69/79/560826979.db2.gz UYFBXDYROPCMOD-NHFXJNLRSA-N 0 0 404.422 4.008 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102801057 560828483 /nfs/dbraw/zinc/82/84/83/560828483.db2.gz BAIPLELPHDEKAP-JBCNATCCSA-N 0 0 414.417 4.217 50 30 HIEARN CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000102886180 560834114 /nfs/dbraw/zinc/83/41/14/560834114.db2.gz PORKRXRUIDERGA-NHFXJNLRSA-N 0 0 422.412 4.147 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000102929092 560834662 /nfs/dbraw/zinc/83/46/62/560834662.db2.gz JRVIPCBISUAEOY-YDJIHCHBSA-N 0 0 400.390 4.221 50 30 HIEARN N#C[C@@H](C(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000047373195 560886450 /nfs/dbraw/zinc/88/64/50/560886450.db2.gz RFIKSZIGLBCVRZ-HNNXBMFYSA-N 0 0 412.232 4.294 50 30 HIEARN COc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2)c1 ZINC000044858869 560897540 /nfs/dbraw/zinc/89/75/40/560897540.db2.gz ZZJBMTQPPXRKSW-QFIPXVFZSA-N 0 0 414.465 4.166 50 30 HIEARN C=CCn1c2ccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2oc1=O ZINC000046010608 568423270 /nfs/dbraw/zinc/42/32/70/568423270.db2.gz QRDNABYJIBKOCZ-UHFFFAOYSA-N 0 0 403.822 4.095 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)cc(C)c2)cc1 ZINC000046126262 568428572 /nfs/dbraw/zinc/42/85/72/568428572.db2.gz VDBFYKTVQQAJDT-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@H]1CCCO1 ZINC000046129158 568429120 /nfs/dbraw/zinc/42/91/20/568429120.db2.gz OLMGWVVYFXUECI-OAHLLOKOSA-N 0 0 407.848 4.304 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)c(Cl)c2)c1 ZINC000046129374 568429135 /nfs/dbraw/zinc/42/91/35/568429135.db2.gz MHUULOJKMMYUOC-SFHVURJKSA-N 0 0 401.894 4.034 50 30 HIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(Br)cc2)cc1 ZINC000046129440 568429144 /nfs/dbraw/zinc/42/91/44/568429144.db2.gz FRQHGUJOQLDECZ-SFHVURJKSA-N 0 0 416.319 4.134 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)cc2Cl)c1 ZINC000046131945 568429535 /nfs/dbraw/zinc/42/95/35/568429535.db2.gz PVLQMRODVFRKMO-KRWDZBQOSA-N 0 0 401.894 4.034 50 30 HIEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C(F)(F)F)c2)c1 ZINC000046133060 568430308 /nfs/dbraw/zinc/43/03/08/568430308.db2.gz MSJIJJGGEWAERF-GOSISDBHSA-N 0 0 405.420 4.391 50 30 HIEARN CN(C)c1ccc(NC(=O)NCCNc2cccc(F)c2C#N)c(C(F)(F)F)c1 ZINC000047867455 568431421 /nfs/dbraw/zinc/43/14/21/568431421.db2.gz XPMIWDJYEXXHAH-UHFFFAOYSA-N 0 0 409.387 4.016 50 30 HIEARN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000048250430 568434196 /nfs/dbraw/zinc/43/41/96/568434196.db2.gz DZIJQIWDDXJDTI-UHFFFAOYSA-N 0 0 419.312 4.012 50 30 HIEARN Cc1noc(-c2ccc(C(=O)OCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)cc2)n1 ZINC000048277529 568435662 /nfs/dbraw/zinc/43/56/62/568435662.db2.gz AJSJGSURHXQRIL-FYJGNVAPSA-N 0 0 417.465 4.082 50 30 HIEARN N#CN=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000113480210 568451080 /nfs/dbraw/zinc/45/10/80/568451080.db2.gz JTFSXGMVBSLNJR-OAHLLOKOSA-N 0 0 418.400 4.020 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000007129888 568472021 /nfs/dbraw/zinc/47/20/21/568472021.db2.gz OAXWGDNYDNGVFC-BUXKBTBVSA-N 0 0 404.561 4.069 50 30 HIEARN COc1ccc(CCNc2oc(COc3ccccc3Cl)nc2C#N)cc1OC ZINC000000794750 568480956 /nfs/dbraw/zinc/48/09/56/568480956.db2.gz FBPXJIMGABNPIR-UHFFFAOYSA-N 0 0 413.861 4.450 50 30 HIEARN O=S(=O)(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000005773743 568487085 /nfs/dbraw/zinc/48/70/85/568487085.db2.gz VJZMZSHMYNIRMW-HYARGMPZSA-N 0 0 400.887 4.231 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C2=O)cc1OC ZINC000604404053 568492306 /nfs/dbraw/zinc/49/23/06/568492306.db2.gz APCNOKYVAINSHG-PFHZTYADSA-N 0 0 418.401 4.354 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1-c1ccccc1 ZINC000002860409 568510043 /nfs/dbraw/zinc/51/00/43/568510043.db2.gz MJMBSCGDYKJDAF-UHFFFAOYSA-N 0 0 422.510 4.039 50 30 HIEARN CC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000012402665 568710048 /nfs/dbraw/zinc/71/00/48/568710048.db2.gz NZBDHGYNAKFCTB-HXUWFJFHSA-N 0 0 414.468 4.022 50 30 HIEARN COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1 ZINC000012408550 568712252 /nfs/dbraw/zinc/71/22/52/568712252.db2.gz WYJVGZPFKSOWPD-WYRIXSBYSA-N 0 0 424.482 4.128 50 30 HIEARN N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000012418669 568719141 /nfs/dbraw/zinc/71/91/41/568719141.db2.gz IPNKPEXQWDYPBC-ZHACJKMWSA-N 0 0 418.884 4.332 50 30 HIEARN COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(N4CCOCC4)cc3)cc2c1C ZINC000096305464 568723432 /nfs/dbraw/zinc/72/34/32/568723432.db2.gz FDYCVQUTDDUTLX-YVMONPNESA-N 0 0 422.506 4.124 50 30 HIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 ZINC000000868581 568725126 /nfs/dbraw/zinc/72/51/26/568725126.db2.gz XIHAGJNKSLTELD-JJXNMMKVSA-N 0 0 405.882 4.459 50 30 HIEARN COc1cc([C@@H]2C(C(C)=O)C(C)=Nc3ncnn32)ccc1OCc1ccccc1C ZINC000000940396 568753092 /nfs/dbraw/zinc/75/30/92/568753092.db2.gz TYWBKDCWHKWBTG-JOCHJYFZSA-N 0 0 404.470 4.052 50 30 HIEARN COCc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)c1C#N ZINC000000983470 568760520 /nfs/dbraw/zinc/76/05/20/568760520.db2.gz HAQKADFWFYFLRQ-UHFFFAOYSA-N 0 0 410.524 4.262 50 30 HIEARN N#Cc1c(NC(=O)c2ccc(I)cc2)sc2c1CCCC2 ZINC000001013809 568762914 /nfs/dbraw/zinc/76/29/14/568762914.db2.gz STDGXSZYCSXQFE-UHFFFAOYSA-N 0 0 408.264 4.355 50 30 HIEARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3c(C#N)cccc3C#N)cc2)cc1 ZINC000001024226 568763386 /nfs/dbraw/zinc/76/33/86/568763386.db2.gz CAADDCTUAWFYBM-UHFFFAOYSA-N 0 0 405.435 4.032 50 30 HIEARN COC(=O)[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 ZINC000001059701 568765028 /nfs/dbraw/zinc/76/50/28/568765028.db2.gz WKFGBYMVGYASEY-NRFANRHFSA-N 0 0 402.475 4.354 50 30 HIEARN N#Cc1cc2c(nc1SCCS(=O)(=O)c1nc3ccccc3s1)CCCC2 ZINC000001119094 568771020 /nfs/dbraw/zinc/77/10/20/568771020.db2.gz IPQOQUVTRNCIMM-UHFFFAOYSA-N 0 0 415.565 4.008 50 30 HIEARN Cc1ccc(OCc2nc(C#N)c(N3CCN(c4ccccc4F)CC3)o2)c(C)c1 ZINC000027991344 568775796 /nfs/dbraw/zinc/77/57/96/568775796.db2.gz YEIGOLKBMKCVAD-UHFFFAOYSA-N 0 0 406.461 4.208 50 30 HIEARN COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc(OCC(C)=O)c2C#N)cc1 ZINC000002585265 568784866 /nfs/dbraw/zinc/78/48/66/568784866.db2.gz ZIKDTDRPIYWGFS-UHFFFAOYSA-N 0 0 412.449 4.244 50 30 HIEARN CCn1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1ccccc1 ZINC000002625880 568789267 /nfs/dbraw/zinc/78/92/67/568789267.db2.gz AAIUQESXWKATJW-UHFFFAOYSA-N 0 0 405.527 4.312 50 30 HIEARN C=CCn1c(SCC(=O)NCC(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002661791 568799361 /nfs/dbraw/zinc/79/93/61/568799361.db2.gz AVHWEYRMBWZDNQ-UHFFFAOYSA-N 0 0 412.481 4.199 50 30 HIEARN C=CCN(C(=S)Nc1ccc(C)cc1)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000002768409 568807463 /nfs/dbraw/zinc/80/74/63/568807463.db2.gz VMAKPQDAQDDSQC-FQEVSTJZSA-N 0 0 407.539 4.074 50 30 HIEARN Cn1ncc(/N=C/c2ccccc2OCc2ccccc2)c1C(=O)NCc1ccco1 ZINC000002797747 568810429 /nfs/dbraw/zinc/81/04/29/568810429.db2.gz GTTRUIAZDBNCIR-AFUMVMLFSA-N 0 0 414.465 4.273 50 30 HIEARN CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O ZINC000005825288 568824403 /nfs/dbraw/zinc/82/44/03/568824403.db2.gz JEVJGLZZICBGDE-NHDPSOOVSA-N 0 0 406.434 4.342 50 30 biogenic HIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 ZINC000005868788 568827193 /nfs/dbraw/zinc/82/71/93/568827193.db2.gz YDRBQBPIKWTWOR-QGZVFWFLSA-N 0 0 411.527 4.235 50 30 HIEARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000005923771 568829749 /nfs/dbraw/zinc/82/97/49/568829749.db2.gz QHUPJFKVRBAYIF-OAHLLOKOSA-N 0 0 401.919 4.490 50 30 HIEARN C=CCn1c(C)cc(C(=O)COc2ncnc3ccc(Br)cc32)c1C ZINC000005937780 568830966 /nfs/dbraw/zinc/83/09/66/568830966.db2.gz BXMBTIQPLWYMHG-UHFFFAOYSA-N 0 0 400.276 4.258 50 30 HIEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(F)(F)F)c1 ZINC000005977627 568833402 /nfs/dbraw/zinc/83/34/02/568833402.db2.gz BEPDSQPFUPQHNQ-UHFFFAOYSA-N 0 0 404.388 4.426 50 30 HIEARN CCOC(=O)c1cnn(-c2ccccc2)c1/N=C/c1cc(Br)ccc1O ZINC000003017001 568838684 /nfs/dbraw/zinc/83/86/84/568838684.db2.gz BAPKYNXHZXLFJY-SRZZPIQSSA-N 0 0 414.259 4.268 50 30 HIEARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N(C)CCC#N ZINC000003285458 568851842 /nfs/dbraw/zinc/85/18/42/568851842.db2.gz QRBYMYPUEWCEJI-UHFFFAOYSA-N 0 0 421.884 4.393 50 30 HIEARN O=C1N/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000003658923 568866286 /nfs/dbraw/zinc/86/62/86/568866286.db2.gz HLGBMFXQMYTHIK-PQBRBNAQSA-N 0 0 421.265 4.496 50 30 HIEARN C=CCOc1ccc(Br)cc1/C=C1\NC(=S)N(C2CCCCC2)C1=O ZINC000003662919 568867015 /nfs/dbraw/zinc/86/70/15/568867015.db2.gz ZDHGVXPPBFJWEL-VBKFSLOCSA-N 0 0 421.360 4.404 50 30 HIEARN COc1cc(CC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc(OC)c1OC ZINC000003284642 568872124 /nfs/dbraw/zinc/87/21/24/568872124.db2.gz YJFYEGUTMFQDHR-UHFFFAOYSA-N 0 0 403.434 4.399 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2cccc(O)c2)CC(=O)O3)C1=O ZINC000263585506 568878754 /nfs/dbraw/zinc/87/87/54/568878754.db2.gz JKWDWVGZUYPALT-UMUMUWHJSA-N 0 0 414.413 4.458 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000004062369 568881565 /nfs/dbraw/zinc/88/15/65/568881565.db2.gz KSZICRVBQWJCOO-JOCHJYFZSA-N 0 0 413.514 4.405 50 30 HIEARN C=CCNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C ZINC000003484186 568908646 /nfs/dbraw/zinc/90/86/46/568908646.db2.gz SDLHXAFGOYQLIC-UHFFFAOYSA-N 0 0 422.554 4.461 50 30 HIEARN Cc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)c2ccccc2c1O ZINC000001306207 568913545 /nfs/dbraw/zinc/91/35/45/568913545.db2.gz NYQBPXRKTGJIGB-SSDVNMTOSA-N 0 0 408.255 4.208 50 30 HIEARN COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@H]2C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001389537 568923450 /nfs/dbraw/zinc/92/34/50/568923450.db2.gz DQHSSEBQPVXARH-FQPALTHISA-N 0 0 402.450 4.464 50 30 HIEARN CCCCC(=O)N[C@@](Nc1sc(C)c(CC)c1C#N)(C(=O)OCC)C(F)(F)F ZINC000003672421 568924614 /nfs/dbraw/zinc/92/46/14/568924614.db2.gz MMPQYKHFKHEWDQ-QGZVFWFLSA-N 0 0 419.469 4.031 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O3 ZINC000218065646 568925097 /nfs/dbraw/zinc/92/50/97/568925097.db2.gz WQGWGCKNLMFNTH-CPIUSTHESA-N 0 0 419.820 4.498 50 30 HIEARN O=[N+]([O-])c1cc(/C=N/OCc2ccc(C(F)(F)F)cc2)ccc1N1CCOCC1 ZINC000004052566 568936550 /nfs/dbraw/zinc/93/65/50/568936550.db2.gz XDBORIFNKIMPDS-FSJBWODESA-N 0 0 409.364 4.001 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(OCC)cc1 ZINC000004119644 568944524 /nfs/dbraw/zinc/94/45/24/568944524.db2.gz XVWGRZDCGXHLBR-HYBUGGRVSA-N 0 0 424.493 4.422 50 30 HIEARN Cc1csc(-c2ccc(OC(=O)C3CCN(c4ccc(C#N)cn4)CC3)cc2)n1 ZINC000084271403 568945599 /nfs/dbraw/zinc/94/55/99/568945599.db2.gz VBRNZXKFBSIPHQ-UHFFFAOYSA-N 0 0 404.495 4.207 50 30 HIEARN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229532561 568950217 /nfs/dbraw/zinc/95/02/17/568950217.db2.gz FMDNGMXJVQZKKB-ORAYPTAESA-N 0 0 404.297 4.266 50 30 HIEARN COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)sc2c1 ZINC000004273168 568957615 /nfs/dbraw/zinc/95/76/15/568957615.db2.gz RAVFWLLVEPRLME-UHFFFAOYSA-N 0 0 400.463 4.419 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000004312743 568961297 /nfs/dbraw/zinc/96/12/97/568961297.db2.gz OUUPSQVMZIDSRY-HXUWFJFHSA-N 0 0 400.390 4.378 50 30 HIEARN C=CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000008041745 568970696 /nfs/dbraw/zinc/97/06/96/568970696.db2.gz CSSIDKAWHAXEOX-UHFFFAOYSA-N 0 0 414.527 4.068 50 30 HIEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2c3ccccc3C[C@H]2C)c1C#N ZINC000008119051 568974495 /nfs/dbraw/zinc/97/44/95/568974495.db2.gz VIGQQBJPDWXIMP-OAHLLOKOSA-N 0 0 404.539 4.476 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1cccs1 ZINC000007991015 568976101 /nfs/dbraw/zinc/97/61/01/568976101.db2.gz ILLXCCMSWXWLFJ-OAHLLOKOSA-N 0 0 417.556 4.140 50 30 HIEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc2c(c1)OCO2 ZINC000008156473 568978077 /nfs/dbraw/zinc/97/80/77/568978077.db2.gz XDZWQLVCQZYUIB-CQSZACIVSA-N 0 0 411.527 4.076 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000009498789 568986560 /nfs/dbraw/zinc/98/65/60/568986560.db2.gz WNFSMFUVVJXXAY-UHFFFAOYSA-N 0 0 424.526 4.091 50 30 HIEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 ZINC000008292749 568988003 /nfs/dbraw/zinc/98/80/03/568988003.db2.gz RMHNCGFYMKRNRH-UHFFFAOYSA-N 0 0 411.461 4.370 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1cccs1 ZINC000010303403 568988416 /nfs/dbraw/zinc/98/84/16/568988416.db2.gz XPWWMBGRZIAPIX-UHFFFAOYSA-N 0 0 401.513 4.185 50 30 HIEARN COc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c(OC)c1 ZINC000012814647 568989179 /nfs/dbraw/zinc/98/91/79/568989179.db2.gz SGEASTILRDGIAM-UHFFFAOYSA-N 0 0 424.545 4.179 50 30 HIEARN C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)NC1=S ZINC000012343691 568994580 /nfs/dbraw/zinc/99/45/80/568994580.db2.gz CHGSIKFIUIMKIM-ATVHPVEESA-N 0 0 414.939 4.304 50 30 HIEARN C=CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1)c1nc2c(s1)CCCC2 ZINC000012797857 568996362 /nfs/dbraw/zinc/99/63/62/568996362.db2.gz UNSRHWCZESTXTO-QGZVFWFLSA-N 0 0 409.555 4.211 50 30 HIEARN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000008389017 568996602 /nfs/dbraw/zinc/99/66/02/568996602.db2.gz IQYUCCAEIFKJKU-GFCCVEGCSA-N 0 0 405.366 4.021 50 30 HIEARN C=CCN(C(=O)c1ccc(C)s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000013110257 568998162 /nfs/dbraw/zinc/99/81/62/568998162.db2.gz QTZNKKKLFXXKJU-UHFFFAOYSA-N 0 0 418.565 4.416 50 30 HIEARN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1O ZINC000013124551 568998471 /nfs/dbraw/zinc/99/84/71/568998471.db2.gz AATANFHXEWNWNX-UHFFFAOYSA-N 0 0 423.523 4.177 50 30 aggregator HIEARN C=CCc1ccc(OCCN2CCN(c3nsc4ccccc43)CC2)c(OC)c1 ZINC000013727824 569000698 /nfs/dbraw/zinc/00/06/98/569000698.db2.gz YGDFFDMCPVIFPD-UHFFFAOYSA-N 0 0 409.555 4.234 50 30 HIEARN N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 ZINC000008401979 569000897 /nfs/dbraw/zinc/00/08/97/569000897.db2.gz ZKYCVSZWPJNFGM-UHFFFAOYSA-N 0 0 412.478 4.079 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccc(F)cc1 ZINC000006095028 569001053 /nfs/dbraw/zinc/00/10/53/569001053.db2.gz UUDOMZXUXHREBV-UHFFFAOYSA-N 0 0 412.446 4.462 50 30 HIEARN COc1cc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OC)c1OC ZINC000006098505 569001456 /nfs/dbraw/zinc/00/14/56/569001456.db2.gz AREDPUUMQZEFFF-WOLRVDTOSA-N 0 0 412.511 4.422 50 30 HIEARN C=C(C)CN(CC)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000014196481 569002082 /nfs/dbraw/zinc/00/20/82/569002082.db2.gz JKXGOOMPHXTHPJ-UHFFFAOYSA-N 0 0 419.597 4.240 50 30 HIEARN C=CCn1c(C)cc(C(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1C ZINC000014244032 569002417 /nfs/dbraw/zinc/00/24/17/569002417.db2.gz YQIHQQJTIAPXOQ-UHFFFAOYSA-N 0 0 415.415 4.416 50 30 HIEARN C=CCNC(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1-c1cccs1 ZINC000014991407 569004139 /nfs/dbraw/zinc/00/41/39/569004139.db2.gz IEGNKLBRJYUIEL-UHFFFAOYSA-N 0 0 419.485 4.421 50 30 HIEARN C=CCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2OC)C1=O ZINC000000720205 569006006 /nfs/dbraw/zinc/00/60/06/569006006.db2.gz ICNRHSXEHSIYCI-VWLOTQADSA-N 0 0 411.461 4.153 50 30 HIEARN C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000000950760 569006143 /nfs/dbraw/zinc/00/61/43/569006143.db2.gz UAWOWYODOZLTMY-UHFFFAOYSA-N 0 0 412.536 4.212 50 30 HIEARN C=CCN1C(=S)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1 ZINC000001114125 569006439 /nfs/dbraw/zinc/00/64/39/569006439.db2.gz VOEVLEFUQLRVKX-GOSISDBHSA-N 0 0 413.930 4.165 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 ZINC000001454224 569006599 /nfs/dbraw/zinc/00/65/99/569006599.db2.gz IKTZPCXYSHOYND-UHFFFAOYSA-N 0 0 419.432 4.276 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(OC)c1 ZINC000002450292 569007266 /nfs/dbraw/zinc/00/72/66/569007266.db2.gz HDEDWKPDBPLGMU-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN Oc1ccc(Br)cc1/C=N/c1cc(Br)c2c(c1)OCCO2 ZINC000001508707 569007273 /nfs/dbraw/zinc/00/72/73/569007273.db2.gz NVHPAOJBGKBOAE-QGMBQPNBSA-N 0 0 413.065 4.439 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000002450577 569007372 /nfs/dbraw/zinc/00/73/72/569007372.db2.gz RYZLONLUVZGDAY-UHFFFAOYSA-N 0 0 408.527 4.391 50 30 HIEARN Cc1ccc(S(=O)(=O)NN=C[C@@]23[C@H]4c5ccccc5[C@@H]2c2ccccc2[C@H]43)cc1 ZINC000254705588 569013412 /nfs/dbraw/zinc/01/34/12/569013412.db2.gz COUAMXYFPQBXNB-WAPCQROESA-N 0 0 400.503 4.286 50 30 HIEARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N ZINC000012874523 569013497 /nfs/dbraw/zinc/01/34/97/569013497.db2.gz PUKVXHWGQLRSGR-QVKFZJNVSA-N 0 0 423.900 4.352 50 30 HIEARN C=CCn1c(SCC(=O)NC2CC2)nnc1[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000017092552 569016903 /nfs/dbraw/zinc/01/69/03/569016903.db2.gz VPQYMABUSWYDOF-CQSZACIVSA-N 0 0 420.966 4.245 50 30 HIEARN C=CCOc1ccc(/C=C2\N=C(c3ccc(OC(F)F)c(OC)c3)OC2=O)cc1 ZINC000012895408 569020557 /nfs/dbraw/zinc/02/05/57/569020557.db2.gz MEPSQNMALIYEID-WJDWOHSUSA-N 0 0 401.365 4.206 50 30 HIEARN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(C#N)cc2)cc1 ZINC000012924978 569023615 /nfs/dbraw/zinc/02/36/15/569023615.db2.gz ZVGYRHNNDWVPNZ-UHFFFAOYSA-N 0 0 422.481 4.291 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006265786 569036086 /nfs/dbraw/zinc/03/60/86/569036086.db2.gz RDKQEVFOKHOGDK-OAQYLSRUSA-N 0 0 418.449 4.337 50 30 HIEARN C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000006409148 569047116 /nfs/dbraw/zinc/04/71/16/569047116.db2.gz DWTAHXMYFRXGGO-MRXNPFEDSA-N 0 0 400.434 4.038 50 30 HIEARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000239274801 569054074 /nfs/dbraw/zinc/05/40/74/569054074.db2.gz ASAOGVYYVSTGTP-LMMKCTJWSA-N 0 0 405.546 4.168 50 30 HIEARN O=C1N/C(=N/N=C/c2ccc(F)cc2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000006472376 569058017 /nfs/dbraw/zinc/05/80/17/569058017.db2.gz QHWJRJPFMQBEOP-GTQIFZCBSA-N 0 0 409.458 4.305 50 30 HIEARN C=CCN1CCN(c2nn3c(nc(-c4cccc(C)c4)c3NC(C)(C)C)s2)CC1 ZINC000064452032 569062879 /nfs/dbraw/zinc/06/28/79/569062879.db2.gz NGONCJXFEKYWNV-UHFFFAOYSA-N 0 0 410.591 4.285 50 30 HIEARN CSc1nc(C2CC2)cc(C(=O)OCc2cc3c(c(Cl)c2)OCO3)c1C#N ZINC000026985715 569065201 /nfs/dbraw/zinc/06/52/01/569065201.db2.gz FBTRYNYHZSTNJG-UHFFFAOYSA-N 0 0 402.859 4.292 50 30 HIEARN C=CCN(CC(=O)Nc1c(C)cccc1CC)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000006561271 569066124 /nfs/dbraw/zinc/06/61/24/569066124.db2.gz WMUBRXGGCSHUKV-UHFFFAOYSA-N 0 0 414.571 4.298 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)CCC2 ZINC000005130862 569071699 /nfs/dbraw/zinc/07/16/99/569071699.db2.gz AJTBHHLBHXFEPM-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(O)c1 ZINC000005595909 569071981 /nfs/dbraw/zinc/07/19/81/569071981.db2.gz YXQNBXXFMQJFPV-IBGZPJMESA-N 0 0 409.825 4.417 50 30 HIEARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(C#N)cc2)cc1 ZINC000064798766 569096703 /nfs/dbraw/zinc/09/67/03/569096703.db2.gz QBPCAVLCMVGURK-KRWDZBQOSA-N 0 0 408.504 4.235 50 30 HIEARN CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2)C1=O ZINC000006711598 569096776 /nfs/dbraw/zinc/09/67/76/569096776.db2.gz KLGAKJSHRTZHIV-ROMGYVFFSA-N 0 0 414.534 4.487 50 30 HIEARN C/C(=N/OCc1nc2c3c(C)c(C)n(-c4ccccn4)c3ncn2n1)c1ccccc1 ZINC000006719172 569097744 /nfs/dbraw/zinc/09/77/44/569097744.db2.gz DCLMBBPBNVULQL-NTFVMDSBSA-N 0 0 411.469 4.021 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000006720737 569098913 /nfs/dbraw/zinc/09/89/13/569098913.db2.gz QHOTYGFTLCUHBP-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCC(C)C)nn32)c(OC)c1 ZINC000006728709 569102181 /nfs/dbraw/zinc/10/21/81/569102181.db2.gz GTSQGRUXVASPOR-IBGZPJMESA-N 0 0 414.531 4.065 50 30 HIEARN COc1cccc([C@@H]2C3C(=O)CCCC3=Nc3nc(-c4cccc(C)c4)nn32)c1OC ZINC000006732439 569103535 /nfs/dbraw/zinc/10/35/35/569103535.db2.gz UDMNPICOSPIVJI-OAQYLSRUSA-N 0 0 416.481 4.293 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(O)c4)nn32)cc1 ZINC000006732567 569103629 /nfs/dbraw/zinc/10/36/29/569103629.db2.gz RKPYDBSMGPGNOH-OAQYLSRUSA-N 0 0 416.481 4.317 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000006813681 569136952 /nfs/dbraw/zinc/13/69/52/569136952.db2.gz OSJQPTAIBQRBOX-DNVCBOLYSA-N 0 0 415.848 4.236 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006813931 569137257 /nfs/dbraw/zinc/13/72/57/569137257.db2.gz SXTHGNOVKHOEQK-HXUWFJFHSA-N 0 0 400.390 4.378 50 30 HIEARN CC[C@H](NC(=O)Cn1c(C)c(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987009 569145234 /nfs/dbraw/zinc/14/52/34/569145234.db2.gz SQIHZFATVQIVDJ-FQEVSTJZSA-N 0 0 403.482 4.250 50 30 HIEARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006879705 569165297 /nfs/dbraw/zinc/16/52/97/569165297.db2.gz FGTHDGKWUPPFPL-QGZVFWFLSA-N 0 0 411.461 4.368 50 30 HIEARN N#Cc1cccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1 ZINC000169780768 569174200 /nfs/dbraw/zinc/17/42/00/569174200.db2.gz BBGGAZBTMRGRPG-LJQANCHMSA-N 0 0 405.889 4.001 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccoc1C ZINC000006910896 569180708 /nfs/dbraw/zinc/18/07/08/569180708.db2.gz VQUZRGFXONJLIV-LJQANCHMSA-N 0 0 408.527 4.318 50 30 HIEARN Cc1ccc(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 ZINC000013139102 569211582 /nfs/dbraw/zinc/21/15/82/569211582.db2.gz XYTTUUGZACDZAR-PTGBLXJZSA-N 0 0 408.504 4.427 50 30 aggregator HIEARN C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C#N)c1 ZINC000007193468 569228075 /nfs/dbraw/zinc/22/80/75/569228075.db2.gz GZZZMAFUBDTPLU-GFCCVEGCSA-N 0 0 414.874 4.293 50 30 HIEARN N#Cc1c(Cl)nsc1N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000065512756 569233410 /nfs/dbraw/zinc/23/34/10/569233410.db2.gz XEMQSXHYMCLETN-UHFFFAOYSA-N 0 0 422.263 4.452 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000170618962 569248171 /nfs/dbraw/zinc/24/81/71/569248171.db2.gz ITUJWNKISUIQGX-NFBKMPQASA-N 0 0 410.466 4.032 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CCC2 ZINC000002520881 569288351 /nfs/dbraw/zinc/28/83/51/569288351.db2.gz PFXLFPKEGJFYHS-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN CSc1nn(-c2cc(Oc3ccc(F)cc3Cl)nc(SC)n2)c(N)c1C#N ZINC000002182892 569293608 /nfs/dbraw/zinc/29/36/08/569293608.db2.gz XIBNHCHEZLXOQU-UHFFFAOYSA-N 0 0 422.898 4.145 50 30 HIEARN CCOc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1O ZINC000252593680 569296176 /nfs/dbraw/zinc/29/61/76/569296176.db2.gz BLQGBIHTPTVHOZ-UHFFFAOYSA-N 0 0 416.646 4.495 50 30 HIEARN CCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 ZINC000252597068 569296541 /nfs/dbraw/zinc/29/65/41/569296541.db2.gz COTHVSZBIFBMQP-VUARGGTQSA-N 0 0 410.495 4.496 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)cc1 ZINC000252623221 569308354 /nfs/dbraw/zinc/30/83/54/569308354.db2.gz OMQLUFGBABSZOX-GNYMFXGWSA-N 0 0 416.886 4.456 50 30 HIEARN N#Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)NCC3CC3)c2)cc1 ZINC000037600650 569309163 /nfs/dbraw/zinc/30/91/63/569309163.db2.gz IPQPPMYZJDRLQY-UHFFFAOYSA-N 0 0 423.516 4.474 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007790781 569310958 /nfs/dbraw/zinc/31/09/58/569310958.db2.gz RUCKBIJKEPQJLE-PEBXRYMYSA-N 0 0 422.558 4.296 50 30 HIEARN COc1cc(C=Nn2cnc3sc(-c4ccccc4)cc3c2=O)cc(OC)c1OC ZINC000252628975 569311462 /nfs/dbraw/zinc/31/14/62/569311462.db2.gz TWAATWSGJHQTMY-UHFFFAOYSA-N 0 0 421.478 4.033 50 30 HIEARN C=CCOc1c(Cl)cc(C=c2sc3nc4ccccc4n3c2=O)cc1OCC ZINC000252677789 569319871 /nfs/dbraw/zinc/31/98/71/569319871.db2.gz ZUZVIDYCSXTAQL-UHFFFAOYSA-N 0 0 412.898 4.074 50 30 HIEARN C=CCSc1nnc2n1c(=O)c1c(n2CC=C)-c2ccccc2CC12CCCC2 ZINC000002245497 569324099 /nfs/dbraw/zinc/32/40/99/569324099.db2.gz BIKWFICKNPGCMV-UHFFFAOYSA-N 0 0 404.539 4.390 50 30 HIEARN O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1cccc(Cl)c1 ZINC000002271668 569327005 /nfs/dbraw/zinc/32/70/05/569327005.db2.gz NJFYISZKNWZJOA-ODCIPOBUSA-N 0 0 401.651 4.176 50 30 HIEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000032107465 569357792 /nfs/dbraw/zinc/35/77/92/569357792.db2.gz OREFKOOOKDLHJU-PBYMEHPDSA-N 0 0 416.558 4.234 50 30 HIEARN CC(C)(C)OC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)NCC#Cc1ccccc1 ZINC000253420036 569367842 /nfs/dbraw/zinc/36/78/42/569367842.db2.gz SSWZTSXEIRTDRI-NRFANRHFSA-N 0 0 406.526 4.447 50 30 HIEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CCC3 ZINC000002299642 569370030 /nfs/dbraw/zinc/37/00/30/569370030.db2.gz RFCMSCCUIARGGG-UHFFFAOYSA-N 0 0 424.551 4.260 50 30 HIEARN COC(=O)c1sc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1C ZINC000002312687 569374014 /nfs/dbraw/zinc/37/40/14/569374014.db2.gz VEWHMKRTUKTMFZ-UHFFFAOYSA-N 0 0 415.540 4.139 50 30 HIEARN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000000686783 569384070 /nfs/dbraw/zinc/38/40/70/569384070.db2.gz NAZHUQHMUFQPSE-YDZHTSKRSA-N 0 0 410.477 4.367 50 30 HIEARN Cc1sc(NC(=O)c2sc3nc4c(cc3c2N)N2CCC4CC2)c(C#N)c1C ZINC000008748532 569390288 /nfs/dbraw/zinc/39/02/88/569390288.db2.gz VFTNKCHNVQRLOG-UHFFFAOYSA-N 0 0 409.540 4.378 50 30 HIEARN N#CCCN(C(=O)CSc1n[nH]c(C=Cc2ccccc2)n1)c1ccc(F)cc1 ZINC000012834808 569403944 /nfs/dbraw/zinc/40/39/44/569403944.db2.gz LYIBNBBSOOFKOO-KPKJPENVSA-N 0 0 407.474 4.153 50 30 HIEARN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc(CCO)cc3)c(C)c12 ZINC000012894444 569404682 /nfs/dbraw/zinc/40/46/82/569404682.db2.gz XEMVAKKGRZYGLS-UHFFFAOYSA-N 0 0 421.493 4.081 50 30 HIEARN C[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000328592464 569415463 /nfs/dbraw/zinc/41/54/63/569415463.db2.gz RXQQZWNEWBXJIQ-HRAATJIYSA-N 0 0 420.440 4.442 50 30 HIEARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1c2c(nn1C)CCCC2 ZINC000328594196 569415758 /nfs/dbraw/zinc/41/57/58/569415758.db2.gz YLNMPVFYHIVSTC-IBGZPJMESA-N 0 0 402.926 4.438 50 30 HIEARN C[C@H]1C[C@H]1c1cc(NC(=O)C(=O)N2CCc3cc(F)ccc32)n(-c2ccccc2)n1 ZINC000328596535 569416162 /nfs/dbraw/zinc/41/61/62/569416162.db2.gz AUDWVXJLAGQHSV-KBXCAEBGSA-N 0 0 404.445 4.312 50 30 HIEARN CCOC(=O)[C@]1(CCSc2nc(C)cc(C(F)(F)F)c2C#N)CCCC1=O ZINC000078965608 569422113 /nfs/dbraw/zinc/42/21/13/569422113.db2.gz ODZLZJZQVXCRAZ-KRWDZBQOSA-N 0 0 400.422 4.065 50 30 HIEARN CC(=O)Nc1ccc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000019532392 569422262 /nfs/dbraw/zinc/42/22/62/569422262.db2.gz CJYPOBRYQDMLOC-UHFFFAOYSA-N 0 0 422.510 4.307 50 30 HIEARN C[C@]1(CCc2ccccc2)CCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000079050010 569425558 /nfs/dbraw/zinc/42/55/58/569425558.db2.gz BWHRACMMOFBWDK-VWLOTQADSA-N 0 0 402.542 4.041 50 30 HIEARN COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)cc2c1 ZINC000079112457 569428234 /nfs/dbraw/zinc/42/82/34/569428234.db2.gz LYBNKQYLVCVXQO-NRFANRHFSA-N 0 0 404.857 4.466 50 30 HIEARN C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000008705730 571103143 /nfs/dbraw/zinc/10/31/43/571103143.db2.gz PAWUZIUQRQBLRQ-IBGZPJMESA-N 0 0 413.474 4.417 50 30 HIEARN CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cc2ccccc2o1 ZINC000008784775 571119898 /nfs/dbraw/zinc/11/98/98/571119898.db2.gz MQZSCZTXJUZHPO-UHFFFAOYSA-N 0 0 403.467 4.314 50 30 HIEARN N#Cc1nc(-c2ccc(Cl)cc2Cl)oc1N1CCN(C(=O)c2ccco2)CC1 ZINC000008844475 571124927 /nfs/dbraw/zinc/12/49/27/571124927.db2.gz XMHQTBQRCNEJML-UHFFFAOYSA-N 0 0 417.252 4.075 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)CC2)nc1 ZINC000040117544 571174532 /nfs/dbraw/zinc/17/45/32/571174532.db2.gz CHIWTDGUMJZGRO-QHCPKHFHSA-N 0 0 406.505 4.356 50 30 HIEARN CSc1nccn1-c1cccc(C(=O)NCCSCc2ccccc2C#N)c1 ZINC000040135743 571188931 /nfs/dbraw/zinc/18/89/31/571188931.db2.gz DTSMEBLBFXDYPC-UHFFFAOYSA-N 0 0 408.552 4.129 50 30 HIEARN C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21 ZINC000009129413 571227372 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402.541 4.179 50 30 HIEARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000002793449 845008496 /nfs/dbraw/zinc/00/84/96/845008496.db2.gz GPJMNUBZZPJAFJ-RMKNXTFCSA-N 0 0 406.410 4.358 50 30 HIEARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000004407720 845055895 /nfs/dbraw/zinc/05/58/95/845055895.db2.gz FQFFWYTYBAHPIS-INIZCTEOSA-N 0 0 415.515 4.119 50 30 HIEARN Cn1c(C(C#N)=C(NS(=O)(=O)c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000005072490 845080334 /nfs/dbraw/zinc/08/03/34/845080334.db2.gz WLMYIFJNAZFHOH-MJOLOOBESA-N 0 0 414.490 4.059 50 30 HIEARN CCOC(=O)C(=Cc1ccc(C#N)cc1)C1=CSc2nnc(C3CCCCC3)n2N1 ZINC000008322253 845513062 /nfs/dbraw/zinc/51/30/62/845513062.db2.gz QBOIYNWVZKBOAE-PDGQHHTCSA-N 0 0 421.526 4.154 50 30 HIEARN COc1cc(/C=C/C(=O)c2ccc(I)cc2)ccc1OCC#N ZINC000009513617 845573582 /nfs/dbraw/zinc/57/35/82/845573582.db2.gz XFURDEOHYQGTOH-KRXBUXKQSA-N 0 0 419.218 4.098 50 30 HIEARN C=CCOc1ccccc1CN1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1 ZINC000014998520 845998119 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HIEARN COc1cc(C=NO[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc(Cl)c1OC ZINC000254294594 854209362 /nfs/dbraw/zinc/20/93/62/854209362.db2.gz KUYYZSGVSYJICD-KGLIPLIRSA-N 0 0 402.878 4.074 50 30 HIEARN CCc1ccc(-c2csc(=NC)n2N=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000254415228 854210963 /nfs/dbraw/zinc/21/09/63/854210963.db2.gz OJUFIXDAZMHLIZ-UHFFFAOYSA-N 0 0 406.555 4.028 50 30 HIEARN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=S)Nc1ccc(F)cc1 ZINC000254400691 854211090 /nfs/dbraw/zinc/21/10/90/854211090.db2.gz SWXRBPVGQRSUMH-UHFFFAOYSA-N 0 0 422.533 4.241 50 30 HIEARN COCCCN=c1scc(-c2ccc(OC)cc2)n1N=Cc1ccc(OC)cc1 ZINC000254699688 854213275 /nfs/dbraw/zinc/21/32/75/854213275.db2.gz TWAWFQSLVDMTBG-UHFFFAOYSA-N 0 0 411.527 4.053 50 30 HIEARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=Nn1cnc2sc(C)c(C)c2c1=O ZINC000254835056 854215294 /nfs/dbraw/zinc/21/52/94/854215294.db2.gz ZMPXHHZXWYWOKD-UHFFFAOYSA-N 0 0 415.881 4.244 50 30 HIEARN C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1Cl ZINC000014387188 132460267 /nfs/dbraw/zinc/46/02/67/132460267.db2.gz CYQKPLMTPOCXRH-CYBMUJFWSA-N 0 0 403.313 4.354 50 30 HIEARN C=C(C)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000020729492 518605339 /nfs/dbraw/zinc/60/53/39/518605339.db2.gz CDFMHSFNYMVJAG-XMMPIXPASA-N 0 0 419.525 4.066 50 30 HIEARN C=CCCC(=O)NC[C@H]1Cc2cc(-c3cc(OC)ccc3OC)cc(Cl)c2O1 ZINC000012217991 518693613 /nfs/dbraw/zinc/69/36/13/518693613.db2.gz RXKPOELUTDZFOL-QGZVFWFLSA-N 0 0 401.890 4.410 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccn2)c1 ZINC000024772164 518819163 /nfs/dbraw/zinc/81/91/63/518819163.db2.gz HONLKRJIJHKCQI-UHFFFAOYSA-N 0 0 407.495 4.024 50 30 HIEARN C=CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3)n2)SC1=S ZINC000096663129 518834343 /nfs/dbraw/zinc/83/43/43/518834343.db2.gz IKSWZLXVDFNTEV-XNTDXEJSSA-N 0 0 401.538 4.215 50 30 HIEARN C=CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C#N)cc2)c1 ZINC000037600517 518902008 /nfs/dbraw/zinc/90/20/08/518902008.db2.gz HRSSEQQSNUZWCI-UHFFFAOYSA-N 0 0 409.489 4.250 50 30 HIEARN C=CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(OC)c2)cc1 ZINC000037556123 518902067 /nfs/dbraw/zinc/90/20/67/518902067.db2.gz YERHCZYDISPDHH-UHFFFAOYSA-N 0 0 414.505 4.387 50 30 HIEARN C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(OC)cc1 ZINC000037542649 518934391 /nfs/dbraw/zinc/93/43/91/518934391.db2.gz LYOCVLSHRRXIOM-UHFFFAOYSA-N 0 0 405.317 4.438 50 30 HIEARN C=CCOc1cccc2c1cc(C(=O)N1CCC[C@H](C(=O)OCC)C1)n2C/C=C\C ZINC000035927732 519063849 /nfs/dbraw/zinc/06/38/49/519063849.db2.gz ZAFHVDMQXMGFLF-GINYUPMKSA-N 0 0 410.514 4.198 50 30 HIEARN C=CCc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000000682054 519123941 /nfs/dbraw/zinc/12/39/41/519123941.db2.gz BENCBYBVQRHWEO-XSFVSMFZSA-N 0 0 406.482 4.305 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c(OC)c1 ZINC000009126516 519135901 /nfs/dbraw/zinc/13/59/01/519135901.db2.gz ZMSDBPZFJSNWIG-UHFFFAOYSA-N 0 0 408.498 4.067 50 30 HIEARN C=CCn1c(C)cc(C(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)c1C ZINC000032893423 519170495 /nfs/dbraw/zinc/17/04/95/519170495.db2.gz AHWWSBCVFWNIIK-UHFFFAOYSA-N 0 0 410.543 4.027 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2sc(C)c(C)c2c1=O ZINC000000784818 519225894 /nfs/dbraw/zinc/22/58/94/519225894.db2.gz DUERKBXZKUKFCL-UHFFFAOYSA-N 0 0 415.540 4.000 50 30 HIEARN C=CCn1c(SCc2cc3c(cc2Br)OCCO3)nnc1C1CC1 ZINC000025431145 519238734 /nfs/dbraw/zinc/23/87/34/519238734.db2.gz RDMYIGYNOXEADH-UHFFFAOYSA-N 0 0 408.321 4.168 50 30 HIEARN C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 ZINC000033768349 519246442 /nfs/dbraw/zinc/24/64/42/519246442.db2.gz OMAYZWDDCYWYMS-UHFFFAOYSA-N 0 0 415.478 4.406 50 30 HIEARN CC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)N3CCCCC3)c2C#N)cc1 ZINC000020295405 519833737 /nfs/dbraw/zinc/83/37/37/519833737.db2.gz LKXRCCNLXMBJTG-UHFFFAOYSA-N 0 0 419.554 4.302 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)CCCN2C ZINC000100144322 520495682 /nfs/dbraw/zinc/49/56/82/520495682.db2.gz NOEJIIUDBRZBRY-QFIPXVFZSA-N 0 0 408.542 4.236 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000027533209 520531912 /nfs/dbraw/zinc/53/19/12/520531912.db2.gz PAKUCNMIPVLQEX-RXVVDRJESA-N 0 0 403.478 4.243 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cc(OC)ccc2O)C1=O ZINC000036258290 520537393 /nfs/dbraw/zinc/53/73/93/520537393.db2.gz ZAKVBSOOQNNLCN-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=CNCc2ccc(Cl)cc2)C1=O ZINC000100566603 520539281 /nfs/dbraw/zinc/53/92/81/520539281.db2.gz SSWMJNANLIGKGH-LGMDPLHJSA-N 0 0 414.914 4.474 50 30 HIEARN CCC[C@@H](C)Nc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032829263 520668226 /nfs/dbraw/zinc/66/82/26/520668226.db2.gz FGYVZIDPHMFQSJ-KUHUBIRLSA-N 0 0 412.490 4.408 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000027547709 520810030 /nfs/dbraw/zinc/81/00/30/520810030.db2.gz VMKNOCWQUGYDKB-NRFANRHFSA-N 0 0 421.428 4.341 50 30 HIEARN CCOc1ccc(-c2n[nH]c(=S)n2NN=Cc2cccc(Br)c2)cc1 ZINC000009332970 520812595 /nfs/dbraw/zinc/81/25/95/520812595.db2.gz CUSFNOJKMHXJHP-YBFXNURJSA-N 0 0 418.320 4.346 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019774610 520825580 /nfs/dbraw/zinc/82/55/80/520825580.db2.gz SSZYHSHBAAXNBH-DNVCBOLYSA-N 0 0 401.528 4.074 50 30 HIEARN CC1CCN(c2nc(SCC(=O)NCc3ccco3)c(C#N)c3c2CCCC3)CC1 ZINC000020573440 521046004 /nfs/dbraw/zinc/04/60/04/521046004.db2.gz MYJIFCZAQAXYLN-UHFFFAOYSA-N 0 0 424.570 4.070 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1c(OC)cccc1OC ZINC000328599768 521277295 /nfs/dbraw/zinc/27/72/95/521277295.db2.gz UACMOJRPRSYGOD-PGRDOPGGSA-N 0 0 410.466 4.032 50 30 HIEARN CCOc1cccc(C=C2SC(Nc3cccc(C)c3)=C(C(=O)OC)C2=O)c1O ZINC000036257326 521315004 /nfs/dbraw/zinc/31/50/04/521315004.db2.gz VXHHJSQAIPJUNQ-SFQUDFHCSA-N 0 0 411.479 4.253 50 30 HIEARN CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000021722926 521711749 /nfs/dbraw/zinc/71/17/49/521711749.db2.gz DIMVPSBABFPXKN-QFIPXVFZSA-N 0 0 409.486 4.396 50 30 HIEARN COc1cc(/C=C2/S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc(OC)c1OC ZINC000035647613 521951124 /nfs/dbraw/zinc/95/11/24/521951124.db2.gz YNZGSWUBDPQABV-LZYBPNLTSA-N 0 0 422.865 4.397 50 30 HIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3cc(OC)c(O)c(OC)c3)cc2c1C ZINC000040082000 522436174 /nfs/dbraw/zinc/43/61/74/522436174.db2.gz JVSLDIMWIUJKDH-AATRIKPKSA-N 0 0 413.451 4.010 50 30 HIEARN COCc1cc(C)nc(N=NCc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1C#N ZINC000009233786 522917291 /nfs/dbraw/zinc/91/72/91/522917291.db2.gz HDEOQMNVTWYBOP-KSEXSDGBSA-N 0 0 421.413 4.031 50 30 HIEARN COc1ccc(/C=C2/N=C(SCC#N)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000034689715 523410813 /nfs/dbraw/zinc/41/08/13/523410813.db2.gz KQAYBIVJHSRIEY-SFQUDFHCSA-N 0 0 415.421 4.297 50 30 HIEARN COc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1Br ZINC000033466945 523434396 /nfs/dbraw/zinc/43/43/96/523434396.db2.gz QLZPTTCGMIJJKF-WAPJZHGLSA-N 0 0 402.288 4.190 50 30 HIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000051366891 523606894 /nfs/dbraw/zinc/60/68/94/523606894.db2.gz JQMMNYZAOBYFHP-KVDJPTQJSA-N 0 0 415.490 4.087 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(F)c2)Nc2ccccc2)c1C ZINC000032973130 523634442 /nfs/dbraw/zinc/63/44/42/523634442.db2.gz FUFLYLOKPSCDSE-UHFFFAOYSA-N 0 0 407.493 4.100 50 30 HIEARN COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000021355878 523903745 /nfs/dbraw/zinc/90/37/45/523903745.db2.gz TTZUDYSAJHUKKF-NRFANRHFSA-N 0 0 409.486 4.252 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022884306 524035499 /nfs/dbraw/zinc/03/54/99/524035499.db2.gz CCEXAXGMVZISGX-LFVJCYFKSA-N 0 0 423.988 4.338 50 30 HIEARN COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)cc1 ZINC000020648817 524040272 /nfs/dbraw/zinc/04/02/72/524040272.db2.gz YIVYUYALIDTRJV-JJFYIABZSA-N 0 0 400.434 4.059 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2ccccc2C)NCc2c(C)nn(C)c2C)c1 ZINC000032972674 524071291 /nfs/dbraw/zinc/07/12/91/524071291.db2.gz JXWCXJBQEQGRNW-UHFFFAOYSA-N 0 0 403.530 4.306 50 30 HIEARN COc1ccc(Nc2nc(COC(=O)c3ccc(NC(=O)CC#N)cc3)cs2)cc1 ZINC000009874480 524718180 /nfs/dbraw/zinc/71/81/80/524718180.db2.gz QTAXMXVDMMCGSH-UHFFFAOYSA-N 0 0 422.466 4.104 50 30 HIEARN COc1ccc(OC)c(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c1 ZINC000036066001 524799972 /nfs/dbraw/zinc/79/99/72/524799972.db2.gz MOACJKZREYOZJW-NSMHLIOHSA-N 0 0 409.482 4.400 50 30 HIEARN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c1 ZINC000020648993 524800050 /nfs/dbraw/zinc/80/00/50/524800050.db2.gz RFWBWJSYZAQCRP-HMAPJEAMSA-N 0 0 409.482 4.402 50 30 HIEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(I)cc2)c1 ZINC000051318562 524803325 /nfs/dbraw/zinc/80/33/25/524803325.db2.gz JSZXPVIIGZMNBU-MDZDMXLPSA-N 0 0 409.223 4.117 50 30 HIEARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1 ZINC000006912468 525330273 /nfs/dbraw/zinc/33/02/73/525330273.db2.gz GOWWTQJSIQNYAP-CQSZACIVSA-N 0 0 401.561 4.413 50 30 HIEARN Cc1c(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)cccc1[N+](=O)[O-] ZINC000058147631 525515937 /nfs/dbraw/zinc/51/59/37/525515937.db2.gz LEYGRXUNPLBCHC-UHFFFAOYSA-N 0 0 402.208 4.087 50 30 HIEARN COc1cccc(/C=C2/S/C(=N\c3cccc(Br)c3)NC2=O)c1OC ZINC000001261908 525766370 /nfs/dbraw/zinc/76/63/70/525766370.db2.gz XJGYQTXUIGMQGO-OQLLNIDSSA-N 0 0 419.300 4.358 50 30 HIEARN COc1cccc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c1O ZINC000033330239 525776223 /nfs/dbraw/zinc/77/62/23/525776223.db2.gz JUVNZBWRLANMRB-SSDVNMTOSA-N 0 0 402.516 4.156 50 30 HIEARN C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000007814808 525894358 /nfs/dbraw/zinc/89/43/58/525894358.db2.gz VLKRSPKMHMDPAY-INIZCTEOSA-N 0 0 409.511 4.121 50 30 HIEARN Cc1ccc(-n2cnc3c(c4nc5ccccc5nc4n3/N=C/c3ccco3)c2=O)cc1 ZINC000009215727 525917792 /nfs/dbraw/zinc/91/77/92/525917792.db2.gz HGUCUYVTCXHVBO-LGJNPRDNSA-N 0 0 420.432 4.067 50 30 HIEARN COc1cccc(CN/C=C2/Nc3ccc(Br)c(Cl)c3C2=O)c1OC ZINC000100442644 525926822 /nfs/dbraw/zinc/92/68/22/525926822.db2.gz ZMEQHBKZRTUOJN-UKTHLTGXSA-N 0 0 423.694 4.359 50 30 HIEARN N#CCCn1cc(/C=C/C(=O)NCCc2cnn(-c3ccccc3)c2)c2ccccc21 ZINC000011163702 526466480 /nfs/dbraw/zinc/46/64/80/526466480.db2.gz OUBBBEPTBZOXRO-VAWYXSNFSA-N 0 0 409.493 4.113 50 30 HIEARN N#Cc1c(SCC(=O)Nc2nccs2)nc(N2CCCCC2)c2c1CCCC2 ZINC000020573258 526530950 /nfs/dbraw/zinc/53/09/50/526530950.db2.gz DVRCAWRDNGGOLM-UHFFFAOYSA-N 0 0 413.572 4.010 50 30 HIEARN N#Cc1cccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 ZINC000032850677 526711363 /nfs/dbraw/zinc/71/13/63/526711363.db2.gz FFLPZKJKQJQABQ-UHFFFAOYSA-N 0 0 403.887 4.042 50 30 HIEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000044165928 526776043 /nfs/dbraw/zinc/77/60/43/526776043.db2.gz MNODCOGXNVDFDF-UHFFFAOYSA-N 0 0 422.891 4.432 50 30 HIEARN O=C1C(Cl)=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C1Cl ZINC000012561061 526958618 /nfs/dbraw/zinc/95/86/18/526958618.db2.gz NSDJMXAUHUTUIA-FCDQGJHFSA-N 0 0 419.289 4.091 50 30 HIEARN Nc1oc(-c2ccco2)nc1-c1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)F)o1 ZINC000101412463 527581641 /nfs/dbraw/zinc/58/16/41/527581641.db2.gz QKBKYMCXIQIEIG-UHFFFAOYSA-N 0 0 418.200 4.194 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(F)c1)Nc1cccc(C)c1C ZINC000032972659 527627862 /nfs/dbraw/zinc/62/78/62/527627862.db2.gz IBRWSVIMAIQLJX-UHFFFAOYSA-N 0 0 421.520 4.499 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccc(C)cc1 ZINC000032972348 527629265 /nfs/dbraw/zinc/62/92/65/527629265.db2.gz TUMIQQUBANSHFQ-UHFFFAOYSA-N 0 0 409.921 4.397 50 30 HIEARN COc1ccc(-c2nc(-c3cccc(Cl)c3)nc(N3CCN(C)CC3)c2C#N)cc1 ZINC000003104948 536504742 /nfs/dbraw/zinc/50/47/42/536504742.db2.gz XVWOCZWZKFITPZ-UHFFFAOYSA-N 0 0 419.916 4.096 50 30 HIEARN COc1ccc(-c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1OC ZINC000002424880 536507599 /nfs/dbraw/zinc/50/75/99/536507599.db2.gz UJXQSKAFPILBCA-UHFFFAOYSA-N 0 0 424.888 4.210 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000755761 557076787 /nfs/dbraw/zinc/07/67/87/557076787.db2.gz UTOXLYZDXFZTAD-HNNXBMFYSA-N 0 0 410.297 4.484 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000781156 557078809 /nfs/dbraw/zinc/07/88/09/557078809.db2.gz QGJZULCMKPJIBW-SZNDQCEHSA-N 0 0 423.490 4.011 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000814114 557088688 /nfs/dbraw/zinc/08/86/88/557088688.db2.gz LGPOVHSMRMOZCI-NRFANRHFSA-N 0 0 405.473 4.463 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000814113 557088741 /nfs/dbraw/zinc/08/87/41/557088741.db2.gz LGPOVHSMRMOZCI-OAQYLSRUSA-N 0 0 405.473 4.463 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1Cl ZINC000001032291 557147572 /nfs/dbraw/zinc/14/75/72/557147572.db2.gz PHZYKEDYNNVSJT-LJQANCHMSA-N 0 0 402.922 4.183 50 30 HIEARN COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(Cl)cc2C)cc1OC ZINC000001045140 557155822 /nfs/dbraw/zinc/15/58/22/557155822.db2.gz KGLTYTXONXLISO-XDOYNYLZSA-N 0 0 404.919 4.471 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1ccco1 ZINC000001074763 557172254 /nfs/dbraw/zinc/17/22/54/557172254.db2.gz OMGVMLPELGFZNJ-OSPHWJPCSA-N 0 0 420.509 4.270 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001107225 557180709 /nfs/dbraw/zinc/18/07/09/557180709.db2.gz IVBIIYKBHXZVET-VLIAUNLRSA-N 0 0 424.478 4.191 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001107226 557180781 /nfs/dbraw/zinc/18/07/81/557180781.db2.gz IVBIIYKBHXZVET-VBKZILBWSA-N 0 0 424.478 4.191 50 30 HIEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CCCC3 ZINC000001191477 557236332 /nfs/dbraw/zinc/23/63/32/557236332.db2.gz ALXVFCIKWAZWMG-FOKLQQMPSA-N 0 0 420.450 4.387 50 30 HIEARN CCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CCCC3=O)s1 ZINC000001445793 557266102 /nfs/dbraw/zinc/26/61/02/557266102.db2.gz WRPXTMXNGOJXBO-CYBMUJFWSA-N 0 0 403.504 4.317 50 30 HIEARN Cc1ccc(C(=O)NC(NNc2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000002050390 557300574 /nfs/dbraw/zinc/30/05/74/557300574.db2.gz FYKJMUGHVYYWCK-UHFFFAOYSA-N 0 0 409.305 4.302 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002055463 557302791 /nfs/dbraw/zinc/30/27/91/557302791.db2.gz FMLMEWSKSKOPBH-QFIPXVFZSA-N 0 0 411.498 4.313 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1coc2ccccc2c1=O ZINC000002088213 557312031 /nfs/dbraw/zinc/31/20/31/557312031.db2.gz JMXOYGFQQPQNEQ-JOCHJYFZSA-N 0 0 421.493 4.494 50 30 biogenic HIEARN O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccc2c(c1)OCCO2 ZINC000002323087 557337219 /nfs/dbraw/zinc/33/72/19/557337219.db2.gz BWZTUCLEQOOEHR-ZEQRLZLVSA-N 0 0 406.409 4.499 50 30 HIEARN COc1ccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)cc1OC ZINC000002326222 557337437 /nfs/dbraw/zinc/33/74/37/557337437.db2.gz MFZVNKLIKIFAKN-ZNGUSHDYSA-N 0 0 400.891 4.365 50 30 HIEARN COc1cc(/C=C2/S/C(=N\c3ccccc3Br)NC2=O)ccc1O ZINC000002423901 557346465 /nfs/dbraw/zinc/34/64/65/557346465.db2.gz SXQCFGHYESQTLV-OQLLNIDSSA-N 0 0 405.273 4.055 50 30 HIEARN C=CCOc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(F)cc1 ZINC000002506364 557353427 /nfs/dbraw/zinc/35/34/27/557353427.db2.gz YXRHGBRSRVMFIX-RGVLZGJSSA-N 0 0 408.296 4.474 50 30 HIEARN Cc1ccc(NC(=S)N/C(=N/CS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000002686670 557367808 /nfs/dbraw/zinc/36/78/08/557367808.db2.gz CDRUQTZDODYZCB-UHFFFAOYSA-N 0 0 423.563 4.160 50 30 HIEARN CCOC(=O)N[C@@]1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863669 557411387 /nfs/dbraw/zinc/41/13/87/557411387.db2.gz VMPPTVBGSWERLM-HXUWFJFHSA-N 0 0 424.419 4.032 50 30 HIEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 ZINC000003098452 557446296 /nfs/dbraw/zinc/44/62/96/557446296.db2.gz BXJHGDJDSVBNKR-QFIPXVFZSA-N 0 0 411.498 4.158 50 30 HIEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)c1 ZINC000004114993 557515626 /nfs/dbraw/zinc/51/56/26/557515626.db2.gz OKAULENVERXBAP-OAQYLSRUSA-N 0 0 409.482 4.009 50 30 HIEARN Cc1[nH]c2ccccc2c1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000004199556 557528143 /nfs/dbraw/zinc/52/81/43/557528143.db2.gz JQQLCKJYGSZBKT-LFVJCYFKSA-N 0 0 418.549 4.088 50 30 HIEARN COc1cccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)C(F)(F)F)s2)c1 ZINC000004390823 557551173 /nfs/dbraw/zinc/55/11/73/557551173.db2.gz AARKOBXZJDLMOQ-UHFFFAOYSA-N 0 0 403.279 4.088 50 30 HIEARN Cc1nc(C(=N)NOC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cs1 ZINC000004394489 557551571 /nfs/dbraw/zinc/55/15/71/557551571.db2.gz OYBVHYJAJSWUIT-UHFFFAOYSA-N 0 0 411.270 4.199 50 30 HIEARN Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O ZINC000004416670 557553505 /nfs/dbraw/zinc/55/35/05/557553505.db2.gz MGUKYHHAGPFJMC-UHFFFAOYSA-N 0 0 410.491 4.342 50 30 HIEARN O=C(/C=C/c1ccc(Br)cc1)c1cc(Br)ccc(=O)c1O ZINC000004667472 557579082 /nfs/dbraw/zinc/57/90/82/557579082.db2.gz QFPKXPFHEOFKSV-XVNBXDOJSA-N 0 0 410.061 4.174 50 30 HIEARN CC(=O)N(c1cccc(Cl)c1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000004725434 557587256 /nfs/dbraw/zinc/58/72/56/557587256.db2.gz KQYSNNZAXNFTEO-UHFFFAOYSA-N 0 0 408.885 4.470 50 30 HIEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc1 ZINC000004914276 557613414 /nfs/dbraw/zinc/61/34/14/557613414.db2.gz MFVZCQOGOXURSR-JXFKEZNVSA-N 0 0 421.493 4.107 50 30 HIEARN O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914831 557613627 /nfs/dbraw/zinc/61/36/27/557613627.db2.gz DBANAICKNHJXGV-BLLLJJGKSA-N 0 0 414.820 4.392 50 30 HIEARN O=S(=O)(NC(=NC(=S)OC1CCCCC1)c1ccccc1)c1ccccc1 ZINC000005278383 557643429 /nfs/dbraw/zinc/64/34/29/557643429.db2.gz JXXWKKXISQUARZ-UHFFFAOYSA-N 0 0 402.541 4.046 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005489260 557657190 /nfs/dbraw/zinc/65/71/90/557657190.db2.gz RFYVGVDTYHBHNK-QHCPKHFHSA-N 0 0 417.509 4.395 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000005593358 557663775 /nfs/dbraw/zinc/66/37/75/557663775.db2.gz KUVUWFUREVHHGK-NRFANRHFSA-N 0 0 400.434 4.182 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000005691045 557669067 /nfs/dbraw/zinc/66/90/67/557669067.db2.gz BRPYMQXBKFKNIF-QUCCMNQESA-N 0 0 411.885 4.406 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000006786154 557721142 /nfs/dbraw/zinc/72/11/42/557721142.db2.gz GLHVAOAWINDMLT-QGZVFWFLSA-N 0 0 406.265 4.218 50 30 HIEARN O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000006813820 557724557 /nfs/dbraw/zinc/72/45/57/557724557.db2.gz PPCQBUJMFULQIZ-DGXIYAMASA-N 0 0 400.409 4.403 50 30 HIEARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000003024577 557782030 /nfs/dbraw/zinc/78/20/30/557782030.db2.gz BVMWXOOEDAFBND-GJZGRUSLSA-N 0 0 420.506 4.137 50 30 HIEARN CCOc1ccc2nc(N=C3NC(=O)C[C@@H](c4ccc(OC)cc4)N3)nc(C)c2c1 ZINC000008686432 557800234 /nfs/dbraw/zinc/80/02/34/557800234.db2.gz KQAQQNMXXWWOOB-IBGZPJMESA-N 0 0 405.458 4.024 50 30 aggregator HIEARN C[C@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cc(F)cc(F)c1 ZINC000009011959 557819072 /nfs/dbraw/zinc/81/90/72/557819072.db2.gz GOWUHNYZJLEMQE-BIBXISHDSA-N 0 0 408.408 4.472 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1OC ZINC000009353719 557838584 /nfs/dbraw/zinc/83/85/84/557838584.db2.gz BYYDVPYABWSHKW-QFIPXVFZSA-N 0 0 415.445 4.487 50 30 HIEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000019731689 558259560 /nfs/dbraw/zinc/25/95/60/558259560.db2.gz YABZYBXDMKEBAG-NRFANRHFSA-N 0 0 410.470 4.439 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019770231 558279311 /nfs/dbraw/zinc/27/93/11/558279311.db2.gz XKYPLGHGIXQHAK-DYESRHJHSA-N 0 0 413.489 4.152 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019772338 558280295 /nfs/dbraw/zinc/28/02/95/558280295.db2.gz MCZUECQATIWKAX-VBKZILBWSA-N 0 0 401.528 4.074 50 30 HIEARN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000019818054 558288115 /nfs/dbraw/zinc/28/81/15/558288115.db2.gz TZOBFGSXBGYAFI-GIFXNVAJSA-N 0 0 402.457 4.491 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000019818188 558288450 /nfs/dbraw/zinc/28/84/50/558288450.db2.gz NGXKMAGKQDPYPY-QHCPKHFHSA-N 0 0 403.478 4.407 50 30 HIEARN COc1cc(CN=Nc2nn3cnnc3c3ccccc32)ccc1OCc1ccccc1 ZINC000011859664 558289783 /nfs/dbraw/zinc/28/97/83/558289783.db2.gz VURNCZBHAUVBEM-AFUMVMLFSA-N 0 0 424.464 4.311 50 30 HIEARN C/C(=N/OC(=O)c1ccc(C)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000012447635 558414915 /nfs/dbraw/zinc/41/49/15/558414915.db2.gz GKZDMJOBRMXDFM-REWPVUQQSA-N 0 0 404.466 4.256 50 30 HIEARN N#Cc1cccc(COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 ZINC000010732329 558433102 /nfs/dbraw/zinc/43/31/02/558433102.db2.gz GZTXMMHPITYFPA-UHFFFAOYSA-N 0 0 401.805 4.344 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000010866532 558515580 /nfs/dbraw/zinc/51/55/80/558515580.db2.gz SJZNXSOYMZWCRT-UHFFFAOYSA-N 0 0 417.581 4.016 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)c(OC)c1 ZINC000013127045 558518873 /nfs/dbraw/zinc/51/88/73/558518873.db2.gz MBXMRLIGVHEUNK-NPMXOYFQSA-N 0 0 416.481 4.019 50 30 HIEARN Cc1ccc(N/N=C(/Sc2nnnn2-c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000013142384 558522434 /nfs/dbraw/zinc/52/24/34/558522434.db2.gz PJDKOAHSAXFFTC-DARPEHSRSA-N 0 0 414.494 4.371 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 ZINC000013161755 558524551 /nfs/dbraw/zinc/52/45/51/558524551.db2.gz QCFVKESBIREDPN-FQEVSTJZSA-N 0 0 407.397 4.206 50 30 HIEARN CCCc1cc(=O)[nH]c(NN=Cc2ccc(OCc3ccccc3C)c(OC)c2)n1 ZINC000004422810 558534011 /nfs/dbraw/zinc/53/40/11/558534011.db2.gz HGGFNZXYTSUXAO-ZVHZXABRSA-N 0 0 406.486 4.064 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c3nc(COc4ccccc4)nn3cnc1O2 ZINC000013574608 558543252 /nfs/dbraw/zinc/54/32/52/558543252.db2.gz RHIAJEBIOJPIQN-NRFANRHFSA-N 0 0 424.460 4.235 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1OC ZINC000004435902 558559230 /nfs/dbraw/zinc/55/92/30/558559230.db2.gz AEBJVLGJEBEUDA-QMHKHESXSA-N 0 0 416.481 4.019 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(CC)cc1 ZINC000013843738 558597541 /nfs/dbraw/zinc/59/75/41/558597541.db2.gz YMRPGHAEIFMDGJ-HGRLKPHYSA-N 0 0 412.536 4.096 50 30 HIEARN C#CCOc1c(Cl)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC ZINC000004498550 558612299 /nfs/dbraw/zinc/61/22/99/558612299.db2.gz MNLFFKLOGJMAIE-ATVHPVEESA-N 0 0 418.946 4.093 50 30 HIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1 ZINC000016732448 558802357 /nfs/dbraw/zinc/80/23/57/558802357.db2.gz QFOYKUIBJIQMIW-IRLDBZIGSA-N 0 0 419.477 4.009 50 30 HIEARN C=CCc1cc(/C=C2\C(=N)N3N=C(CCCCC)SC3=NC2=O)cc(OC)c1O ZINC000004599589 558835327 /nfs/dbraw/zinc/83/53/27/558835327.db2.gz CMLXNYFORKFYGQ-AJKGDLJRSA-N 0 0 412.515 4.329 50 30 HIEARN Cc1onc(C(=O)Nc2sc(C)c(C)c2C#N)c1COc1ccc([N+](=O)[O-])cc1 ZINC000013641405 558849189 /nfs/dbraw/zinc/84/91/89/558849189.db2.gz ISLVTZRHSZUCRP-UHFFFAOYSA-N 0 0 412.427 4.273 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000013654487 558851042 /nfs/dbraw/zinc/85/10/42/558851042.db2.gz PQNULEWZBCSFOT-ZOJNTWNKSA-N 0 0 421.493 4.273 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccccn2)CO3)C1=O ZINC000013723959 558860289 /nfs/dbraw/zinc/86/02/89/558860289.db2.gz GEZACIURJQLMHW-UUYOSTAYSA-N 0 0 400.434 4.059 50 30 HIEARN CCOC(=O)c1ccc(/N=C2\S/C(=C/c3ccccc3OC)C(=O)N2CC)cc1 ZINC000004649338 558865781 /nfs/dbraw/zinc/86/57/81/558865781.db2.gz SOMPOGAGBTWHLV-XGHAMVSDSA-N 0 0 410.495 4.496 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000019314963 558866932 /nfs/dbraw/zinc/86/69/32/558866932.db2.gz XSHYUDFDGFSOLX-GOSISDBHSA-N 0 0 419.905 4.221 50 30 HIEARN COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)o1 ZINC000058154776 558902900 /nfs/dbraw/zinc/90/29/00/558902900.db2.gz GTTVOLDLPOZECU-PKNBQFBNSA-N 0 0 417.461 4.466 50 30 HIEARN COc1cccc(C=NN2C(=O)CSC2=S)c1OCc1ccc(Cl)cc1 ZINC000004700010 558907860 /nfs/dbraw/zinc/90/78/60/558907860.db2.gz LCGSCZJWERKHSJ-UKWGHVSLSA-N 0 0 406.916 4.122 50 30 HIEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000058230843 558913858 /nfs/dbraw/zinc/91/38/58/558913858.db2.gz BKFCVMQBQBLGBP-ZRDIBKRKSA-N 0 0 412.423 4.122 50 30 HIEARN Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccc(F)c4)CC3)o2)cc1 ZINC000021799531 558951771 /nfs/dbraw/zinc/95/17/71/558951771.db2.gz KKAJAGCJQUSEBF-MDZDMXLPSA-N 0 0 416.456 4.127 50 30 HIEARN C=CCN(C(=O)/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCCC1 ZINC000097210965 559012182 /nfs/dbraw/zinc/01/21/82/559012182.db2.gz AHNWPLRYDDAOEF-SSZFMOIBSA-N 0 0 416.587 4.222 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1OC ZINC000004736370 559035768 /nfs/dbraw/zinc/03/57/68/559035768.db2.gz PVCGECASBJOHHL-ZDUSSCGKSA-N 0 0 415.544 4.024 50 30 HIEARN CC(N=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccc(Cl)cc1 ZINC000004754317 559050851 /nfs/dbraw/zinc/05/08/51/559050851.db2.gz MNNQWFUTBVZXNE-WGOQTCKBSA-N 0 0 413.957 4.342 50 30 HIEARN O=[N+]([O-])c1ccc(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000015777259 559061820 /nfs/dbraw/zinc/06/18/20/559061820.db2.gz WNHRRIUCAWPOLD-UHFFFAOYSA-N 0 0 415.858 4.496 50 30 HIEARN Cc1nc(SCC(=O)N(C)Cc2ccc(OC(F)F)cc2)c(C#N)c(C)c1C ZINC000023223940 559062199 /nfs/dbraw/zinc/06/21/99/559062199.db2.gz PAWXMEIQCRBGJH-UHFFFAOYSA-N 0 0 405.470 4.231 50 30 HIEARN CCOC(=O)C1=C(C)NC(SCc2ccccc2C#N)=N[C@@H]1c1ccccc1OC ZINC000098086307 559064777 /nfs/dbraw/zinc/06/47/77/559064777.db2.gz RWWWOVJNVDEFSY-OAQYLSRUSA-N 0 0 421.522 4.338 50 30 HIEARN Cc1cc(C)n(-c2ccc3cccc(Nc4cc(C#N)c(C#N)cc4[N+](=O)[O-])c3n2)n1 ZINC000004819458 559068979 /nfs/dbraw/zinc/06/89/79/559068979.db2.gz BFRMKQOBSUNXLL-UHFFFAOYSA-N 0 0 409.409 4.433 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccccc1C ZINC000004816190 559088184 /nfs/dbraw/zinc/08/81/84/559088184.db2.gz IPKBOVXUOOHOQZ-UHFFFAOYSA-N 0 0 421.526 4.129 50 30 HIEARN CC1(C)CC(=O)C(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006901 559128539 /nfs/dbraw/zinc/12/85/39/559128539.db2.gz BOKLYDRAFNRXJR-LJQANCHMSA-N 0 0 413.470 4.454 50 30 HIEARN COc1ccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)c(OC)c1OC ZINC000100417729 559135029 /nfs/dbraw/zinc/13/50/29/559135029.db2.gz GGJMUSFOFDDDQC-LJQANCHMSA-N 0 0 417.461 4.014 50 30 HIEARN C=CCC1=C[C@@](OC)(/C(C)=C/c2cc(OC)c(OC)c(OC)c2)C(OC)=CC1=O ZINC000014658194 559143895 /nfs/dbraw/zinc/14/38/95/559143895.db2.gz LNCSXXRCEFAYFK-WIJYMUHASA-N 0 0 400.471 4.116 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000102406957 559150245 /nfs/dbraw/zinc/15/02/45/559150245.db2.gz XHFDQQMDVYSVSK-OLRQPGBRSA-N 0 0 417.918 4.329 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1C ZINC000103786147 559157014 /nfs/dbraw/zinc/15/70/14/559157014.db2.gz GUIYNSUCQRIVOU-NKWDDMGQSA-N 0 0 424.482 4.050 50 30 HIEARN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000100129393 559162143 /nfs/dbraw/zinc/16/21/43/559162143.db2.gz YJJUWHCQQJXVDG-UYAOXDASSA-N 0 0 402.494 4.285 50 30 HIEARN CN(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)C1(C#N)CCCCC1 ZINC000004871104 559194349 /nfs/dbraw/zinc/19/43/49/559194349.db2.gz MHWVAMAQTXEFCH-UHFFFAOYSA-N 0 0 417.465 4.336 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000100331845 559195448 /nfs/dbraw/zinc/19/54/48/559195448.db2.gz OVYZTXLUOHRVAB-HOGKFDNTSA-N 0 0 415.445 4.330 50 30 HIEARN O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000004894812 559198852 /nfs/dbraw/zinc/19/88/52/559198852.db2.gz RHUGTLOWCCMJCV-FYJGNVAPSA-N 0 0 406.354 4.168 50 30 HIEARN O=C(C=CNc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000100430572 559199744 /nfs/dbraw/zinc/19/97/44/559199744.db2.gz UJTQTIBMTJKERB-SEYXRHQNSA-N 0 0 422.462 4.025 50 30 HIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2OC)CC1=O ZINC000004910417 559202097 /nfs/dbraw/zinc/20/20/97/559202097.db2.gz YSPDCKCOBOJXJC-SFHVURJKSA-N 0 0 405.498 4.016 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000004919318 559204730 /nfs/dbraw/zinc/20/47/30/559204730.db2.gz VIDAJWHJCDKWMS-OFNKIYASSA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1cc2c(nc1SCCS(=O)(=O)Cc1ccc(Cl)cc1)CCCC2 ZINC000004978217 559220311 /nfs/dbraw/zinc/22/03/11/559220311.db2.gz PIPXFFBVYZHJGR-UHFFFAOYSA-N 0 0 406.960 4.193 50 30 HIEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000005045117 559236461 /nfs/dbraw/zinc/23/64/61/559236461.db2.gz NKHSNUGAZYYLQY-JOCHJYFZSA-N 0 0 421.493 4.175 50 30 HIEARN CC[C@H](C)NC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000005100888 559245412 /nfs/dbraw/zinc/24/54/12/559245412.db2.gz SVTUXIJCKSMVCC-XIXVAHAYSA-N 0 0 420.904 4.231 50 30 HIEARN Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000005108765 559246506 /nfs/dbraw/zinc/24/65/06/559246506.db2.gz WLTBTBJIKUBUGQ-FQEVSTJZSA-N 0 0 402.450 4.078 50 30 HIEARN COC(=O)[C@@H](/N=C/c1ccc(Br)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC000005125439 559248187 /nfs/dbraw/zinc/24/81/87/559248187.db2.gz MEZFDHCMRLSACB-NJLCCJRQSA-N 0 0 406.320 4.332 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000019760620 559286658 /nfs/dbraw/zinc/28/66/58/559286658.db2.gz XQSTWVIBYHXLDF-JXFKEZNVSA-N 0 0 401.890 4.030 50 30 HIEARN C[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000005309644 560563815 /nfs/dbraw/zinc/56/38/15/560563815.db2.gz OFPJBCCYVIPWCM-KRWDZBQOSA-N 0 0 408.523 4.408 50 30 HIEARN N#Cc1ccc(COCC2CCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000206599500 560573015 /nfs/dbraw/zinc/57/30/15/560573015.db2.gz VNNPCOZRUCWPMH-UHFFFAOYSA-N 0 0 413.315 4.390 50 30 HIEARN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000005458268 560591650 /nfs/dbraw/zinc/59/16/50/560591650.db2.gz AGRNIVVLHVMIHH-QFIPXVFZSA-N 0 0 412.445 4.428 50 30 HIEARN Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1C ZINC000005546255 560607646 /nfs/dbraw/zinc/60/76/46/560607646.db2.gz IYLBJUCKKPNJMH-NNLCKWJRSA-N 0 0 418.522 4.368 50 30 HIEARN C=CCn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000005619125 560630779 /nfs/dbraw/zinc/63/07/79/560630779.db2.gz QIJGJWOKNHEZKC-UHFFFAOYSA-N 0 0 422.554 4.339 50 30 HIEARN C#CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100875912 560761762 /nfs/dbraw/zinc/76/17/62/560761762.db2.gz APEXWNAZBUPJOY-VZCXRCSSSA-N 0 0 415.312 4.238 50 30 HIEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(N(C)C)cc2)c1 ZINC000018130816 560779484 /nfs/dbraw/zinc/77/94/84/560779484.db2.gz WUCRHOSHDFLBKT-QHCPKHFHSA-N 0 0 416.525 4.063 50 30 HIEARN C=CCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000101211466 560789997 /nfs/dbraw/zinc/78/99/97/560789997.db2.gz DBGSKOMEUCCSNO-HXUWFJFHSA-N 0 0 407.539 4.074 50 30 HIEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313987 560791517 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C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)cc1OC ZINC000012111611 560889353 /nfs/dbraw/zinc/88/93/53/560889353.db2.gz RBCBNKLCDGOCHL-QFIPXVFZSA-N 0 0 417.461 4.406 50 30 HIEARN COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000012192138 560891527 /nfs/dbraw/zinc/89/15/27/560891527.db2.gz PLXYNRAXHIJMSD-CNPYVQQSSA-N 0 0 421.494 4.174 50 30 HIEARN O=C(Oc1ccc(/C=N/c2ccccc2O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003168855 560893336 /nfs/dbraw/zinc/89/33/36/560893336.db2.gz VIYQTAYCCLEHIB-CIAFOILYSA-N 0 0 407.338 4.178 50 30 HIEARN CCCCOc1ccc(C(=O)C=CNc2cc(C(=O)OC)ccc2C(=O)OC)cc1 ZINC000044843067 560897641 /nfs/dbraw/zinc/89/76/41/560897641.db2.gz DYNYWIJCNQCKCH-OUKQBFOZSA-N 0 0 411.454 4.247 50 30 HIEARN COc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000009363678 568415607 /nfs/dbraw/zinc/41/56/07/568415607.db2.gz PFJDADSLLGBQOU-VXHGTMSESA-N 0 0 421.444 4.268 50 30 HIEARN CN(C)/C=C(/C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccc(Cl)cc1 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406.408 4.183 50 30 HIEARN N#Cc1cc2c(nc1NC(=O)COc1ccc(Oc3ccccn3)cc1)CCCC2 ZINC000095986326 568676412 /nfs/dbraw/zinc/67/64/12/568676412.db2.gz ASENLKLHIMIBRQ-UHFFFAOYSA-N 0 0 400.438 4.037 50 30 HIEARN N#Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1 ZINC000021357205 568688228 /nfs/dbraw/zinc/68/82/28/568688228.db2.gz OGUDJOUDYXTVBE-UHFFFAOYSA-N 0 0 402.479 4.021 50 30 HIEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000853312 568712594 /nfs/dbraw/zinc/71/25/94/568712594.db2.gz VEJGGVUCASXAFC-HYARGMPZSA-N 0 0 420.450 4.135 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)sc2C1 ZINC000000869851 568714007 /nfs/dbraw/zinc/71/40/07/568714007.db2.gz UBTOSYANHRASGA-JTQLQIEISA-N 0 0 408.449 4.087 50 30 HIEARN Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccccc4C)CC3)o2)cc1 ZINC000012418573 568718970 /nfs/dbraw/zinc/71/89/70/568718970.db2.gz SAUPUMGJLDRCSY-VAWYXSNFSA-N 0 0 412.493 4.296 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cc(C(=O)OC)n3c4ccccc4sc23)SC1=S ZINC000685944238 568722526 /nfs/dbraw/zinc/72/25/26/568722526.db2.gz FVOGRVQCUNONJY-GDNBJRDFSA-N 0 0 414.533 4.328 50 30 HIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000000870252 568726442 /nfs/dbraw/zinc/72/64/42/568726442.db2.gz KSIOYGAFZBWCEH-DVCONVQISA-N 0 0 417.918 4.329 50 30 HIEARN COc1ccc(N2CCN(c3oc([C@@H]4C[C@H]4c4ccccc4)nc3C#N)CC2)cc1 ZINC000096346445 568737619 /nfs/dbraw/zinc/73/76/19/568737619.db2.gz CMHGXSCJMDQPOY-LEWJYISDSA-N 0 0 400.482 4.153 50 30 HIEARN Cc1ccc(N=C([C@H](c2ccccc2)N2CCOCC2)n2nnc3ccccc32)cc1 ZINC000252586195 568752270 /nfs/dbraw/zinc/75/22/70/568752270.db2.gz OBUUYWWUWWEPIX-DEOSSOPVSA-N 0 0 411.509 4.392 50 30 HIEARN COc1cc([C@H]2C(C(C)=O)C(C)=Nc3ncnn32)ccc1OCc1ccccc1C ZINC000000940395 568753088 /nfs/dbraw/zinc/75/30/88/568753088.db2.gz TYWBKDCWHKWBTG-QFIPXVFZSA-N 0 0 404.470 4.052 50 30 HIEARN CCOc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCCCC4)C2=O)cc1 ZINC000001009847 568762543 /nfs/dbraw/zinc/76/25/43/568762543.db2.gz MNWSGMYCORYXGU-HXUWFJFHSA-N 0 0 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C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000002616297 568785571 /nfs/dbraw/zinc/78/55/71/568785571.db2.gz AKPPLHNAUVUROI-UHFFFAOYSA-N 0 0 409.902 4.387 50 30 HIEARN Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nnc2-c2cccc(C)c2)cc1 ZINC000002625931 568789236 /nfs/dbraw/zinc/78/92/36/568789236.db2.gz NSBHFKNBJQLDQC-UHFFFAOYSA-N 0 0 405.527 4.015 50 30 HIEARN C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000002629546 568790224 /nfs/dbraw/zinc/79/02/24/568790224.db2.gz WTUIDEJLLQDJCX-UHFFFAOYSA-N 0 0 416.909 4.332 50 30 HIEARN N#CCOc1ccccc1/C=C1/S/C(=N\c2ccc(Br)cc2)NC1=O ZINC000002773343 568807983 /nfs/dbraw/zinc/80/79/83/568807983.db2.gz CWOMRBWPPGEFJD-LFIBNONCSA-N 0 0 414.284 4.243 50 30 HIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(Cl)cc3)o2)cnn1C ZINC000002798126 568810505 /nfs/dbraw/zinc/81/05/05/568810505.db2.gz NZUVQWFAIZRIMB-FOKLQQMPSA-N 0 0 400.866 4.136 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 ZINC000005847402 568825720 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HIEARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2cccc(C#N)c2)c1 ZINC000057486304 568842138 /nfs/dbraw/zinc/84/21/38/568842138.db2.gz BVGBINQIJRFZTP-UHFFFAOYSA-N 0 0 418.522 4.249 50 30 HIEARN N#Cc1ccsc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000003287982 568852305 /nfs/dbraw/zinc/85/23/05/568852305.db2.gz HJVZXQJKLCHPGL-UHFFFAOYSA-N 0 0 405.479 4.232 50 30 HIEARN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1C#N ZINC000003223243 568863677 /nfs/dbraw/zinc/86/36/77/568863677.db2.gz GHAGTYITWKAOLQ-UHFFFAOYSA-N 0 0 410.426 4.230 50 30 HIEARN COC(=O)C(C(=O)CSc1cc(C)c2ccccc2n1)=C1Nc2ccccc2N1 ZINC000012586672 568867007 /nfs/dbraw/zinc/86/70/07/568867007.db2.gz GJQQPZSSQLTZRX-UHFFFAOYSA-N 0 0 405.479 4.127 50 30 HIEARN CN(C)C(=S)Sc1nc(Cl)c(C#N)c(SC(=S)N(C)C)c1Cl ZINC000003770987 568868229 /nfs/dbraw/zinc/86/82/29/568868229.db2.gz JXDUSQODLLAHBX-UHFFFAOYSA-N 0 0 411.430 4.137 50 30 HIEARN N#Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c4ccccc34)s2)cc1 ZINC000003341138 568883654 /nfs/dbraw/zinc/88/36/54/568883654.db2.gz JVBOITXZYHCELO-UHFFFAOYSA-N 0 0 405.508 4.365 50 30 HIEARN N#Cc1ccsc1NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000003451402 568905806 /nfs/dbraw/zinc/90/58/06/568905806.db2.gz NMJIMOQHGJVGPV-UHFFFAOYSA-N 0 0 415.323 4.342 50 30 HIEARN C=CCn1c(SCC(=O)NCCC2=CCCCC2)nc2sc(C)c(C)c2c1=O ZINC000003470430 568907862 /nfs/dbraw/zinc/90/78/62/568907862.db2.gz VPBPOOPKEKIXIG-UHFFFAOYSA-N 0 0 417.600 4.360 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1 ZINC000003557855 568915464 /nfs/dbraw/zinc/91/54/64/568915464.db2.gz XDSLOLZETPKHKR-UHFFFAOYSA-N 0 0 412.536 4.059 50 30 HIEARN CCCCC(=O)N[C@](Nc1sc(C)c(CC)c1C#N)(C(=O)OCC)C(F)(F)F ZINC000003672422 568924612 /nfs/dbraw/zinc/92/46/12/568924612.db2.gz MMPQYKHFKHEWDQ-KRWDZBQOSA-N 0 0 419.469 4.031 50 30 HIEARN Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000084093842 568937368 /nfs/dbraw/zinc/93/73/68/568937368.db2.gz RWAAKMMVPGVOQO-FQEVSTJZSA-N 0 0 424.501 4.312 50 30 HIEARN C=CCOC(=O)c1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)ccc1Cl ZINC000004181223 568949438 /nfs/dbraw/zinc/94/94/38/568949438.db2.gz XKOWSQXADKFMIL-DHDCSXOGSA-N 0 0 405.884 4.432 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1-c1cccc(Cl)c1 ZINC000004187033 568950103 /nfs/dbraw/zinc/95/01/03/568950103.db2.gz NKJAFBIPPSIVBX-UHFFFAOYSA-N 0 0 414.918 4.473 50 30 HIEARN CCCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)cc1 ZINC000004275203 568958044 /nfs/dbraw/zinc/95/80/44/568958044.db2.gz WTHANZIQHCOUQY-UHFFFAOYSA-N 0 0 411.527 4.346 50 30 HIEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004145253 568963420 /nfs/dbraw/zinc/96/34/20/568963420.db2.gz AHAPDGBSVPBDSR-GOSISDBHSA-N 0 0 400.519 4.344 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1 ZINC000004285411 568963430 /nfs/dbraw/zinc/96/34/30/568963430.db2.gz GDEGPYVEMDSRDM-UHFFFAOYSA-N 0 0 409.471 4.079 50 30 HIEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004437067 568963724 /nfs/dbraw/zinc/96/37/24/568963724.db2.gz SWOYQDHQVQHZOF-UHFFFAOYSA-N 0 0 406.916 4.271 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cccc(OC)c1 ZINC000005501390 568965461 /nfs/dbraw/zinc/96/54/61/568965461.db2.gz XWESVRXHCVMDJI-UHFFFAOYSA-N 0 0 408.527 4.433 50 30 HIEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000005631479 568965534 /nfs/dbraw/zinc/96/55/34/568965534.db2.gz ZGQDLXXLYAXCJY-UHFFFAOYSA-N 0 0 407.514 4.249 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccccc1OC ZINC000009204982 568986020 /nfs/dbraw/zinc/98/60/20/568986020.db2.gz WSTYOYPSIFKZCT-UHFFFAOYSA-N 0 0 424.526 4.269 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccccc1OC ZINC000006076844 568992870 /nfs/dbraw/zinc/99/28/70/568992870.db2.gz HXENPOBQESGYAJ-INIZCTEOSA-N 0 0 420.538 4.210 50 30 HIEARN C=C(C)CN(CC)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000012280654 568994212 /nfs/dbraw/zinc/99/42/12/568994212.db2.gz URTLZGTVKCWJLH-HSZRJFAPSA-N 0 0 416.949 4.094 50 30 HIEARN C=CCOc1cccc(-c2nn3c(nnc3-c3cncc(Br)c3)s2)c1 ZINC000013722010 569000619 /nfs/dbraw/zinc/00/06/19/569000619.db2.gz FWKGKQYBYHTEIP-UHFFFAOYSA-N 0 0 414.288 4.242 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(-c3ccc(C#N)cc3)cc2)nc1 ZINC000006101713 569002536 /nfs/dbraw/zinc/00/25/36/569002536.db2.gz SPSJWNMIJBRYLK-UHFFFAOYSA-N 0 0 407.495 4.443 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nc2sccc2c1=O ZINC000012820733 569004892 /nfs/dbraw/zinc/00/48/92/569004892.db2.gz ALVXEWKDYZKLKK-KGLIPLIRSA-N 0 0 411.552 4.102 50 30 HIEARN C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1OC ZINC000000673336 569005945 /nfs/dbraw/zinc/00/59/45/569005945.db2.gz BJMHLVHKAJTVMW-UHFFFAOYSA-N 0 0 423.542 4.124 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nc2sc(C)c(C)c2c1=O ZINC000000784821 569006058 /nfs/dbraw/zinc/00/60/58/569006058.db2.gz YUBNCYQVAVTWCQ-UHFFFAOYSA-N 0 0 403.504 4.131 50 30 HIEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1OCC ZINC000001058063 569006260 /nfs/dbraw/zinc/00/62/60/569006260.db2.gz PKZLOINHTSNMBU-UHFFFAOYSA-N 0 0 414.556 4.246 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S ZINC000001144560 569006328 /nfs/dbraw/zinc/00/63/28/569006328.db2.gz VRQYZBIDHFATET-YBEGLDIGSA-N 0 0 402.453 4.251 50 30 HIEARN C=CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(CC)cc2)C1=O ZINC000001164088 569006347 /nfs/dbraw/zinc/00/63/47/569006347.db2.gz LPYFRJLXXBHCAP-NRFANRHFSA-N 0 0 414.299 4.005 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OC)N(C(C)=O)c1ccccc1-2 ZINC000002113619 569006996 /nfs/dbraw/zinc/00/69/96/569006996.db2.gz CGPAWSQWLCQJTQ-OAQYLSRUSA-N 0 0 420.494 4.269 50 30 HIEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000002211839 569007093 /nfs/dbraw/zinc/00/70/93/569007093.db2.gz UGWXZNZKMRRHMW-UHFFFAOYSA-N 0 0 402.520 4.295 50 30 HIEARN C=C(C)Cn1c(SC(C)C)nc2ccc(I)cc2c1=O ZINC000002221525 569007121 /nfs/dbraw/zinc/00/71/21/569007121.db2.gz PESDKBOFQMQOAH-UHFFFAOYSA-N 0 0 400.285 4.078 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(C)c1 ZINC000002213470 569007150 /nfs/dbraw/zinc/00/71/50/569007150.db2.gz ADWVEQFYCPYYNO-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000002451023 569007409 /nfs/dbraw/zinc/00/74/09/569007409.db2.gz PFWVXLVWJIFFJZ-UHFFFAOYSA-N 0 0 408.527 4.391 50 30 HIEARN C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)N(CCC#N)c1ccccc1 ZINC000006141020 569014296 /nfs/dbraw/zinc/01/42/96/569014296.db2.gz IVGSTKPFHBEGBG-QGZVFWFLSA-N 0 0 421.522 4.498 50 30 HIEARN O=C(c1ccncc1)C1=C2NC(=O)c3c4c(sc3N2Cc2ccccc21)CCCC4 ZINC000001806950 569053521 /nfs/dbraw/zinc/05/35/21/569053521.db2.gz BZWRZDXRHLJVPA-UHFFFAOYSA-N 0 0 413.502 4.337 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1cccc2cccc(Cl)c21 ZINC000006485995 569059484 /nfs/dbraw/zinc/05/94/84/569059484.db2.gz LZFJYKUCTFOCKI-HXUWFJFHSA-N 0 0 404.919 4.183 50 30 HIEARN COc1ccc2c(c1)ncc(C#N)c2N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000064473636 569063790 /nfs/dbraw/zinc/06/37/90/569063790.db2.gz HLJOYTXIGWTMJH-UHFFFAOYSA-N 0 0 404.445 4.109 50 30 HIEARN COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(F)c4)CC3)c2c1 ZINC000064473569 569063802 /nfs/dbraw/zinc/06/38/02/569063802.db2.gz LFHSGSSKHUTVJM-UHFFFAOYSA-N 0 0 404.445 4.109 50 30 HIEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000064473751 569063870 /nfs/dbraw/zinc/06/38/70/569063870.db2.gz HTDWMGWUGCIELU-UHFFFAOYSA-N 0 0 410.399 4.379 50 30 HIEARN N#CCCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 ZINC000006549862 569064881 /nfs/dbraw/zinc/06/48/81/569064881.db2.gz IMRJGYLACJOUDH-UHFFFAOYSA-N 0 0 403.511 4.184 50 30 HIEARN CCCCCCCCCn1c(SC/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000002055036 569072403 /nfs/dbraw/zinc/07/24/03/569072403.db2.gz ZOGZERLMROOTPZ-KAMYIIQDSA-N 0 0 412.987 4.409 50 30 HIEARN N#C[C@H](c1nc2ccccc2s1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl ZINC000006662729 569085893 /nfs/dbraw/zinc/08/58/93/569085893.db2.gz ZNAMNHGEHUMSTG-AWEZNQCLSA-N 0 0 410.861 4.349 50 30 HIEARN C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1ccccc1F)CC2 ZINC000064754504 569089583 /nfs/dbraw/zinc/08/95/83/569089583.db2.gz FHPDTEJYHDEZOA-UHFFFAOYSA-N 0 0 404.441 4.224 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccc(O)cc4)nn32)cc1 ZINC000006732564 569103596 /nfs/dbraw/zinc/10/35/96/569103596.db2.gz JLZQMBWAQTURLU-OAQYLSRUSA-N 0 0 416.481 4.317 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 ZINC000006784000 569120590 /nfs/dbraw/zinc/12/05/90/569120590.db2.gz MHGUBNIZXBMTRT-SFHVURJKSA-N 0 0 406.463 4.325 50 30 HIEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006783462 569120698 /nfs/dbraw/zinc/12/06/98/569120698.db2.gz OLLAJVGPNJFVBV-OAQYLSRUSA-N 0 0 418.449 4.242 50 30 HIEARN CC(C)c1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C3CC3)s2)cc1 ZINC000006787157 569121970 /nfs/dbraw/zinc/12/19/70/569121970.db2.gz HULXTBQLPSEMKE-LJQANCHMSA-N 0 0 401.561 4.306 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000006786783 569121871 /nfs/dbraw/zinc/12/18/71/569121871.db2.gz YKDIIOPGLDFYDA-NRFANRHFSA-N 0 0 419.433 4.075 50 30 HIEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(C#N)c4)CC3)c2c1 ZINC000065034392 569158159 /nfs/dbraw/zinc/15/81/59/569158159.db2.gz DIRABTLXBZEJFV-UHFFFAOYSA-N 0 0 413.456 4.281 50 30 HIEARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000007007823 569200736 /nfs/dbraw/zinc/20/07/36/569200736.db2.gz BZXIFVXFYJHNMH-JOCHJYFZSA-N 0 0 400.434 4.412 50 30 HIEARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C#N ZINC000007299154 569232561 /nfs/dbraw/zinc/23/25/61/569232561.db2.gz PMVVMDWDKGRIDA-LLVKDONJSA-N 0 0 413.503 4.472 50 30 HIEARN N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccccc2)sc2c1CCCCC2 ZINC000010218311 569253653 /nfs/dbraw/zinc/25/36/53/569253653.db2.gz SUIVOCKLLGNYDG-UHFFFAOYSA-N 0 0 402.541 4.081 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000001481097 569277556 /nfs/dbraw/zinc/27/75/56/569277556.db2.gz JABQEEWIEIJIPT-JOCHJYFZSA-N 0 0 414.461 4.490 50 30 HIEARN C=CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC ZINC000002108676 569283741 /nfs/dbraw/zinc/28/37/41/569283741.db2.gz LYYNZZYEUHLQJL-OSVJCPFSSA-N 0 0 404.510 4.287 50 30 biogenic HIEARN O=S(=O)(c1ccc(N=Cc2ccc(Br)cc2)cc1)N1CCCCC1 ZINC000252460126 569286567 /nfs/dbraw/zinc/28/65/67/569286567.db2.gz BXBFUMHRFZUAPJ-UHFFFAOYSA-N 0 0 407.333 4.374 50 30 HIEARN COc1cc(C=NN2CN=NC2=S)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000252477245 569288315 /nfs/dbraw/zinc/28/83/15/569288315.db2.gz KPSBBRHTJYEFTR-UHFFFAOYSA-N 0 0 409.298 4.343 50 30 HIEARN O=C(ON=C1CCCc2c1sc1nc3n(c(=O)c21)CCCCC3)c1ccccc1 ZINC000252598029 569296536 /nfs/dbraw/zinc/29/65/36/569296536.db2.gz CXIYBFADLSLZGN-UHFFFAOYSA-N 0 0 407.495 4.082 50 30 HIEARN Cc1cccc(NC(=O)C(N=Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2)c1 ZINC000252598773 569296620 /nfs/dbraw/zinc/29/66/20/569296620.db2.gz DDTAVQMIIPRWJN-UHFFFAOYSA-N 0 0 401.422 4.013 50 30 HIEARN CCc1ccc(OCC(=O)N=C(Nc2ccccc2)Nc2nc(C)cc(C)n2)cc1 ZINC000002206482 569296651 /nfs/dbraw/zinc/29/66/51/569296651.db2.gz LVVVGIGBPCCMNS-UHFFFAOYSA-N 0 0 403.486 4.141 50 30 HIEARN CN(C)c1ccc(-c2nc3ccccn3c2N=Cc2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000252611785 569300414 /nfs/dbraw/zinc/30/04/14/569300414.db2.gz INTPDHWXOMFHRY-UHFFFAOYSA-N 0 0 401.426 4.432 50 30 HIEARN Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccco1 ZINC000007698888 569301120 /nfs/dbraw/zinc/30/11/20/569301120.db2.gz GJLFABUFLRFSQO-UHFFFAOYSA-N 0 0 413.528 4.008 50 30 HIEARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c(C)n1-c1ccc(F)cc1 ZINC000007706480 569301506 /nfs/dbraw/zinc/30/15/06/569301506.db2.gz WIUDVFWJODCZIP-MRXNPFEDSA-N 0 0 405.429 4.289 50 30 HIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007759235 569307312 /nfs/dbraw/zinc/30/73/12/569307312.db2.gz NTAKFVGVNKSEFZ-UHFFFAOYSA-N 0 0 403.891 4.075 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@H]2c1ccccc1 ZINC000002211536 569307553 /nfs/dbraw/zinc/30/75/53/569307553.db2.gz RBXXALBHMDCCMU-IBGZPJMESA-N 0 0 423.476 4.354 50 30 HIEARN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)cc1 ZINC000252626799 569310774 /nfs/dbraw/zinc/31/07/74/569310774.db2.gz RFVPYXZNJFCFLP-VUARGGTQSA-N 0 0 408.479 4.272 50 30 HIEARN C=C(C)Cn1c(SCCC)nc2ccc(I)cc2c1=O ZINC000002222910 569313293 /nfs/dbraw/zinc/31/32/93/569313293.db2.gz UGNNMXWMISKORX-UHFFFAOYSA-N 0 0 400.285 4.079 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(OC)c(C)c3)C(=O)N2C)cc1 ZINC000252632035 569313380 /nfs/dbraw/zinc/31/33/80/569313380.db2.gz VOTVNHHVHSHUDN-YDOFSLMMSA-N 0 0 410.495 4.414 50 30 HIEARN Cc1cc(C)nc(N=C(NCc2ccc(Cl)cc2)NC(=O)NC2CCCCC2)n1 ZINC000002277084 569327845 /nfs/dbraw/zinc/32/78/45/569327845.db2.gz HIWMZPNPNDXAMP-UHFFFAOYSA-N 0 0 414.941 4.156 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)N(CCO)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O ZINC000002279266 569328002 /nfs/dbraw/zinc/32/80/02/569328002.db2.gz DVUYLAXSPISAPZ-UHFFFAOYSA-N 0 0 409.526 4.070 50 30 HIEARN C=CC#CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000048547087 569358678 /nfs/dbraw/zinc/35/86/78/569358678.db2.gz SZFBAVHAKXZMTI-RTPHCNJMSA-N 0 0 410.554 4.371 50 30 HIEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000048547083 569358694 /nfs/dbraw/zinc/35/86/94/569358694.db2.gz OREFKOOOKDLHJU-KMVKGXBRSA-N 0 0 416.558 4.234 50 30 HIEARN CCCCCOc1ccc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019893208 569363332 /nfs/dbraw/zinc/36/33/32/569363332.db2.gz BZUJFTXIYGKPFR-LJQANCHMSA-N 0 0 413.514 4.356 50 30 HIEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1O ZINC000253414391 569367032 /nfs/dbraw/zinc/36/70/32/569367032.db2.gz XISVKSLWTDFDQU-HNIBHBHRSA-N 0 0 404.374 4.051 50 30 HIEARN O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccc(Cl)cc1 ZINC000002322712 569375217 /nfs/dbraw/zinc/37/52/17/569375217.db2.gz FSGVYQJWGQQKOT-ODCIPOBUSA-N 0 0 401.651 4.176 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1OC(F)(F)F)CCCC2 ZINC000000663173 569384006 /nfs/dbraw/zinc/38/40/06/569384006.db2.gz GVAAHALKINLMHW-UHFFFAOYSA-N 0 0 407.417 4.461 50 30 HIEARN COc1cccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000006928898 569387765 /nfs/dbraw/zinc/38/77/65/569387765.db2.gz BIBYNZTTWCEZSP-ZHACJKMWSA-N 0 0 410.495 4.092 50 30 HIEARN C#CCOc1ccc(-c2nnc(Nc3ccc(C(=O)NC)cc3)c3ccccc32)cc1 ZINC000002368606 569388495 /nfs/dbraw/zinc/38/84/95/569388495.db2.gz ZWNCFGGIQHBLSX-UHFFFAOYSA-N 0 0 408.461 4.412 50 30 HIEARN Cc1cccc(/C=N/n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)c1 ZINC000002379068 569389741 /nfs/dbraw/zinc/38/97/41/569389741.db2.gz GAOFWHKVGIJRIS-VULFUBBASA-N 0 0 412.497 4.030 50 30 HIEARN N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000011095997 569397693 /nfs/dbraw/zinc/39/76/93/569397693.db2.gz SRUKRJHMELMHPU-UHFFFAOYSA-N 0 0 402.281 4.356 50 30 HIEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1OC ZINC000002446218 569401278 /nfs/dbraw/zinc/40/12/78/569401278.db2.gz SVVAUVQKAWSCKC-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(OC)cc1 ZINC000002450869 569403933 /nfs/dbraw/zinc/40/39/33/569403933.db2.gz NWOBVGUYLZACDY-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)c1ccccc1C#N ZINC000012982714 569405688 /nfs/dbraw/zinc/40/56/88/569405688.db2.gz AJCPSIYEXMFMGM-QGZVFWFLSA-N 0 0 419.506 4.192 50 30 HIEARN CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCCC3)c2CO1 ZINC000013116104 569409121 /nfs/dbraw/zinc/40/91/21/569409121.db2.gz VSIQRRPVGRMJLL-UHFFFAOYSA-N 0 0 407.539 4.380 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)COC(=O)c2ccc(Cl)s2)c1C#N ZINC000013108164 569409148 /nfs/dbraw/zinc/40/91/48/569409148.db2.gz RSKPDCHNOJFWNZ-UHFFFAOYSA-N 0 0 417.874 4.128 50 30 HIEARN O=[N+]([O-])c1ccc2c(c1)[C@H](C#Cc1ccccc1)[C@H]1CCCC[C@@]1(N1CCOCC1)O2 ZINC000019770720 569429698 /nfs/dbraw/zinc/42/96/98/569429698.db2.gz SKBBHBNUUXAXJS-QQKQFIJSSA-N 0 0 418.493 4.341 50 30 HIEARN N#Cc1ccccc1Cn1c2ccccc2nc1SCC(=O)NCc1ccccc1 ZINC000008609156 571093830 /nfs/dbraw/zinc/09/38/30/571093830.db2.gz LWYBQSJNMRIDFP-UHFFFAOYSA-N 0 0 412.518 4.365 50 30 HIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000039978526 571135948 /nfs/dbraw/zinc/13/59/48/571135948.db2.gz WESCNSBODGZWRI-UHFFFAOYSA-N 0 0 411.552 4.148 50 30 HIEARN C=CCN1c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000008958717 571181842 /nfs/dbraw/zinc/18/18/42/571181842.db2.gz ZLSCIYNIFIPRBM-UHFFFAOYSA-N 0 0 414.889 4.295 50 30 HIEARN C=CCN1c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000008959534 571183055 /nfs/dbraw/zinc/18/30/55/571183055.db2.gz JWCKNWKMAZWKGT-UHFFFAOYSA-N 0 0 414.889 4.295 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000009108559 571222178 /nfs/dbraw/zinc/22/21/78/571222178.db2.gz DOYPQUVEUMDIHR-OAQYLSRUSA-N 0 0 401.418 4.184 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009272840 571244496 /nfs/dbraw/zinc/24/44/96/571244496.db2.gz CWAZOYCPMKGXHG-FQEVSTJZSA-N 0 0 418.405 4.275 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2ccncc2)CO3)C1=O ZINC000009423042 571257490 /nfs/dbraw/zinc/25/74/90/571257490.db2.gz KTYYWFCORLZGOS-UUYOSTAYSA-N 0 0 400.434 4.059 50 30 HIEARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000009477410 571261815 /nfs/dbraw/zinc/26/18/15/571261815.db2.gz GMTQPRDXKVTATL-OAQYLSRUSA-N 0 0 418.522 4.004 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1Cl ZINC000009507372 571263678 /nfs/dbraw/zinc/26/36/78/571263678.db2.gz VNKPZRWRPLZAHM-UHFFFAOYSA-N 0 0 412.689 4.292 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1ccccc1C ZINC000009569620 571268710 /nfs/dbraw/zinc/26/87/10/571268710.db2.gz FRBCNPAFYBSZMW-QGZVFWFLSA-N 0 0 411.527 4.141 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2ccc3c(c2)OCCO3)c1C#N ZINC000009586949 571271407 /nfs/dbraw/zinc/27/14/07/571271407.db2.gz CMRRIFRRNHDETI-UHFFFAOYSA-N 0 0 423.494 4.120 50 30 HIEARN CN(C(=O)c1ccccc1C(=O)OCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000009703197 571280523 /nfs/dbraw/zinc/28/05/23/571280523.db2.gz XRRFLLHRSGQJLF-UHFFFAOYSA-N 0 0 400.434 4.071 50 30 HIEARN COCc1ccc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000010408679 571302082 /nfs/dbraw/zinc/30/20/82/571302082.db2.gz GKPZLAITZXHJGV-UHFFFAOYSA-N 0 0 409.486 4.034 50 30 HIEARN C/C(=N\OCC(=O)Nc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000006237984 571304430 /nfs/dbraw/zinc/30/44/30/571304430.db2.gz SMWBEMMQNCZCNT-SRZZPIQSSA-N 0 0 404.289 4.438 50 30 HIEARN COc1ccc(/C=C/C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000002659193 845008731 /nfs/dbraw/zinc/00/87/31/845008731.db2.gz IXPABNTYTZXIRF-DHZHZOJOSA-N 0 0 408.508 4.363 50 30 HIEARN O=[N+]([O-])c1ccccc1C=NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000003254126 845010975 /nfs/dbraw/zinc/01/09/75/845010975.db2.gz FPDFRETVBQEJKH-REQFKVSCSA-N 0 0 416.481 4.463 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCc3sccc3[C@@H]2C)c1C#N ZINC000007878908 845438313 /nfs/dbraw/zinc/43/83/13/845438313.db2.gz MOROBFUTIWVRKD-INIZCTEOSA-N 0 0 408.527 4.237 50 30 HIEARN CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)C#N ZINC000012379256 845869018 /nfs/dbraw/zinc/86/90/18/845869018.db2.gz DZRQZSALJWHWRV-OALUTQOASA-N 0 0 417.362 4.435 50 30 HIEARN CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)C#N ZINC000012379258 845869166 /nfs/dbraw/zinc/86/91/66/845869166.db2.gz DZRQZSALJWHWRV-RBUKOAKNSA-N 0 0 417.362 4.435 50 30 HIEARN O=C(/C=C\c1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033502476 848136527 /nfs/dbraw/zinc/13/65/27/848136527.db2.gz PDAVQGICOMLHTM-NVNXTCNLSA-N 0 0 424.566 4.358 50 30 HIEARN Cc1cc(/C=C\C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c(C)n1Cc1ccco1 ZINC000096447562 852548505 /nfs/dbraw/zinc/54/85/05/852548505.db2.gz GWJMSIFFJHUEMI-HJCTWCACSA-N 0 0 417.465 4.202 50 30 HIEARN N#Cc1ccccc1CSCCNC(=O)/C=C\c1ccc(Br)cc1 ZINC000096871631 852557023 /nfs/dbraw/zinc/55/70/23/852557023.db2.gz MPWUGAADECXBDU-YFHOEESVSA-N 0 0 401.329 4.384 50 30 HIEARN O=C(/C=C\c1ccc(OC(F)F)cc1OC(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000096889715 852557168 /nfs/dbraw/zinc/55/71/68/852557168.db2.gz WCOCJATWJVCXHH-DJWKRKHSSA-N 0 0 411.307 4.116 50 30 HIEARN C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000098001932 852649059 /nfs/dbraw/zinc/64/90/59/852649059.db2.gz ALRLCSNGZXYZGZ-XYELWLDHSA-N 0 0 420.509 4.151 50 30 HIEARN C=CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C\C(=O)OC)cc2OC)cc1OC ZINC000098004239 852649991 /nfs/dbraw/zinc/64/99/91/852649991.db2.gz WRXGBFYNFMMUOY-JMVBYTIWSA-N 0 0 424.449 4.074 50 30 HIEARN O=C1C(Cl)=CC(=N/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)C=C1Cl ZINC000102967714 852666205 /nfs/dbraw/zinc/66/62/05/852666205.db2.gz NSDJMXAUHUTUIA-NMWGTECJSA-N 0 0 419.289 4.091 50 30 HIEARN CCOC(=O)c1c(C)oc2c1C(=CNc1nc(C)cc(C)n1)C(=O)c1ccccc1-2 ZINC000102955570 852666403 /nfs/dbraw/zinc/66/64/03/852666403.db2.gz ZYQVUOSGBPQPOK-GZTJUZNOSA-N 0 0 403.438 4.488 50 30 HIEARN N#CC(=C(NS(=O)(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000105888688 852736408 /nfs/dbraw/zinc/73/64/08/852736408.db2.gz CHIOGLDLLODXAU-LECRTAGSSA-N 0 0 400.463 4.048 50 30 HIEARN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3C[C@@]21C ZINC000214463449 853830864 /nfs/dbraw/zinc/83/08/64/853830864.db2.gz CZIVBXRTZPPALG-WHVTUKPPSA-N 0 0 402.918 4.218 50 30 HIEARN C[C@H](NC(=O)CON=Cc1ccccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000254371878 854210266 /nfs/dbraw/zinc/21/02/66/854210266.db2.gz GYRZMUFVHMMPTP-HIGJEIRPSA-N 0 0 406.473 4.360 50 30 HIEARN CN1CCN(N=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CC1 ZINC000254439798 854210938 /nfs/dbraw/zinc/21/09/38/854210938.db2.gz WKSRGCPTKOPSBC-UHFFFAOYSA-N 0 0 415.537 4.426 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(N=NC=C(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000254442700 854211064 /nfs/dbraw/zinc/21/10/64/854211064.db2.gz XRVPNVYZSALNFC-JEOXZBAYSA-N 0 0 416.503 4.127 50 30 HIEARN CCCCn1nc(C(=O)N2CCCSC2=Nc2ccccc2)c2ccccc2c1=O ZINC000254399007 854211106 /nfs/dbraw/zinc/21/11/06/854211106.db2.gz SGQDUEXZCRORLF-UHFFFAOYSA-N 0 0 420.538 4.463 50 30 HIEARN O=C(CON=Cc1nc2cc(Cl)ccc2o1)Nc1cccc(Br)c1 ZINC000254704027 854213248 /nfs/dbraw/zinc/21/32/48/854213248.db2.gz CNAQJRMGMFXSAU-UHFFFAOYSA-N 0 0 408.639 4.233 50 30 HIEARN Cc1c(N=Cc2ccc(OC(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000254737031 854213270 /nfs/dbraw/zinc/21/32/70/854213270.db2.gz WGOHGFIEEWGSQV-UHFFFAOYSA-N 0 0 401.422 4.047 50 30 HIEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000254702668 854213626 /nfs/dbraw/zinc/21/36/26/854213626.db2.gz CDGXNEFBZCLINS-UHFFFAOYSA-N 0 0 420.538 4.324 50 30 HIEARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=CC(Cl)=Cc2ccccc2)C1=O ZINC000254758821 854214440 /nfs/dbraw/zinc/21/44/40/854214440.db2.gz LXLHQYKWGXSXTH-IOBBUQJSSA-N 0 0 419.815 4.321 50 30 HIEARN CC(N=Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000254849289 854216162 /nfs/dbraw/zinc/21/61/62/854216162.db2.gz OKOKHCHLCNISMZ-UHFFFAOYSA-N 0 0 410.455 4.232 50 30 HIEARN Cc1ccc(N=C2SCCCN2C(=O)[C@H]2COc3ccccc3O2)cc1Cl ZINC000254876317 854216250 /nfs/dbraw/zinc/21/62/50/854216250.db2.gz HUIACRKRWLGKDP-GOSISDBHSA-N 0 0 402.903 4.441 50 30 HIEARN O=C(Nc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)c1ccccc1 ZINC000001124472 132238222 /nfs/dbraw/zinc/23/82/22/132238222.db2.gz VCDUUNMJRRMLSG-UHFFFAOYSA-N 0 0 403.457 4.424 50 30 HIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)ccn2)CC1 ZINC000004869552 132291135 /nfs/dbraw/zinc/29/11/35/132291135.db2.gz QUGUPISXZBBDOM-UHFFFAOYSA-N 0 0 410.525 4.260 50 30 HIEARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(c1cccc(C#N)c1)C(=O)C2 ZINC000006742746 132314454 /nfs/dbraw/zinc/31/44/54/132314454.db2.gz CKCVFHRWXPTGPQ-DEOSSOPVSA-N 0 0 402.425 4.393 50 30 HIEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2CCCc3ccccc32)c1C#N ZINC000008119069 132327460 /nfs/dbraw/zinc/32/74/60/132327460.db2.gz YWHZMNIUYFYEGN-UHFFFAOYSA-N 0 0 404.539 4.478 50 30 HIEARN C#Cc1cccc(NC(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 ZINC000040145311 518362482 /nfs/dbraw/zinc/36/24/82/518362482.db2.gz SYDCGLHXFNFJRX-UHFFFAOYSA-N 0 0 423.266 4.457 50 30 HIEARN C#Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 ZINC000106901440 518364483 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COC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cc(OC)ccc2OC)C1=O ZINC000036257319 522894664 /nfs/dbraw/zinc/89/46/64/522894664.db2.gz XUNJPHRLDXVBQE-LDADJPATSA-N 0 0 411.479 4.166 50 30 HIEARN COc1cc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCC(C)C ZINC000020763047 522960555 /nfs/dbraw/zinc/96/05/55/522960555.db2.gz MPRRNXRRGLPWSV-QGZVFWFLSA-N 0 0 406.434 4.094 50 30 HIEARN COc1ccc(/C=C2\COc3ccc(Br)cc3C2=O)c(OC)c1OC ZINC000024992777 523420131 /nfs/dbraw/zinc/42/01/31/523420131.db2.gz HPRVUMDSOAVOHC-XYOKQWHBSA-N 0 0 405.244 4.134 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)cc1OC ZINC000020663593 523420805 /nfs/dbraw/zinc/42/08/05/523420805.db2.gz DTRFCBACBIMUGG-HMAPJEAMSA-N 0 0 409.482 4.402 50 30 HIEARN COc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1Br ZINC000001513176 523453359 /nfs/dbraw/zinc/45/33/59/523453359.db2.gz MLMLSZJYYJWFIQ-CIAFOILYSA-N 0 0 400.276 4.006 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1 ZINC000008914993 523565363 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CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Br)cc1 ZINC000009846340 523723773 /nfs/dbraw/zinc/72/37/73/523723773.db2.gz KXEFEMMWMJDIHH-XAIYEJPOSA-N 0 0 418.316 4.039 50 30 HIEARN Cc1cc(C)cc(-n2c(SCC#N)nc3cc(C(=O)NCC(C)C)ccc3c2=O)c1 ZINC000033077686 524356765 /nfs/dbraw/zinc/35/67/65/524356765.db2.gz QTJMKXAFEIOJQS-UHFFFAOYSA-N 0 0 420.538 4.004 50 30 HIEARN COc1ccc(NC(=NC(=O)Nc2ccc(F)cc2)Nc2nc(C)cc(C)n2)cc1 ZINC000008974814 524377484 /nfs/dbraw/zinc/37/74/84/524377484.db2.gz PBGNEVIOVQFMII-UHFFFAOYSA-N 0 0 408.437 4.353 50 30 HIEARN COc1ccc(NC(=NC(=O)c2cc(C)cc(C)c2)NCc2c(C)nn(C)c2C)cc1 ZINC000032972561 524378115 /nfs/dbraw/zinc/37/81/15/524378115.db2.gz HYDZHHZSGGUASL-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027532882 525384515 /nfs/dbraw/zinc/38/45/15/525384515.db2.gz HAOJSADPIJLJOJ-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN COc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)c(OC)c1OC ZINC000018196820 525442567 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O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3)C12 ZINC000013124500 527024127 /nfs/dbraw/zinc/02/41/27/527024127.db2.gz BJKOCRSVLPCKDM-YVEFUNNKSA-N 0 0 400.360 4.306 50 30 HIEARN Cn1c(SCC(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1 ZINC000032865352 527083398 /nfs/dbraw/zinc/08/33/98/527083398.db2.gz XGTAFTGAWYKTRL-CQSZACIVSA-N 0 0 421.507 4.167 50 30 HIEARN O=C1c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2O/C1=C\c1cccc(F)c1 ZINC000013656548 527124445 /nfs/dbraw/zinc/12/44/45/527124445.db2.gz FPOTYJKMKKFGHY-JAIQZWGSSA-N 0 0 414.385 4.349 50 30 HIEARN O=S(=O)(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000030860413 527203273 /nfs/dbraw/zinc/20/32/73/527203273.db2.gz KTZAGMLIVUCEDH-OYKKKHCWSA-N 0 0 407.470 4.141 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(F)c1)Nc1cccc(C)c1C ZINC000032972593 527629254 /nfs/dbraw/zinc/62/92/54/527629254.db2.gz NYJKVDHJXHOBQG-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000677317 557053816 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HIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000009483289 557843977 /nfs/dbraw/zinc/84/39/77/557843977.db2.gz LRDHJVUYCMLYJT-XMMPIXPASA-N 0 0 419.525 4.058 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000019731268 558259524 /nfs/dbraw/zinc/25/95/24/558259524.db2.gz SDMMNAOPODVPPE-XMMPIXPASA-N 0 0 416.521 4.464 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019770490 558279370 /nfs/dbraw/zinc/27/93/70/558279370.db2.gz ZODWQFAIAWXTOV-MHECFPHRSA-N 0 0 402.494 4.395 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770493 558279481 /nfs/dbraw/zinc/27/94/81/558279481.db2.gz ZODWQFAIAWXTOV-KOSHJBKYSA-N 0 0 402.494 4.395 50 30 HIEARN Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019771423 558279950 /nfs/dbraw/zinc/27/99/50/558279950.db2.gz AFTWKQIYGDIQGK-PCLIKHOPSA-N 0 0 407.949 4.294 50 30 HIEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 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C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016742393 558804193 /nfs/dbraw/zinc/80/41/93/558804193.db2.gz YDTPOVHKPPEPSK-OAQYLSRUSA-N 0 0 407.466 4.248 50 30 HIEARN C=CCOc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004593335 558831228 /nfs/dbraw/zinc/83/12/28/558831228.db2.gz OPUNSNHLLOEPNQ-IFMALSPDSA-N 0 0 416.521 4.445 50 30 HIEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2oc1=O ZINC000004598236 558834142 /nfs/dbraw/zinc/83/41/42/558834142.db2.gz DAXBKKRKMQZGHF-GQCTYLIASA-N 0 0 400.184 4.360 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000013653585 558850906 /nfs/dbraw/zinc/85/09/06/558850906.db2.gz CGJFEVFJSCQNMC-QZDMBBGESA-N 0 0 409.482 4.400 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000004663364 558875115 /nfs/dbraw/zinc/87/51/15/558875115.db2.gz OXUIYWIHYXSISL-ATVHPVEESA-N 0 0 410.451 4.447 50 30 HIEARN C#CCOc1c(I)cc(CNc2ccccc2)cc1OCC ZINC000004676867 558888821 /nfs/dbraw/zinc/88/88/21/558888821.db2.gz BGKOBDCOINGHBB-UHFFFAOYSA-N 0 0 407.251 4.314 50 30 HIEARN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 ZINC000071770713 558911265 /nfs/dbraw/zinc/91/12/65/558911265.db2.gz AGGGBONICNATMR-PFHSXZKRSA-N 0 0 400.515 4.136 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1 ZINC000097105062 558993867 /nfs/dbraw/zinc/99/38/67/558993867.db2.gz IMRLHTULDNGDLI-REWPJTCUSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000013959873 559014425 /nfs/dbraw/zinc/01/44/25/559014425.db2.gz GPJMNUBZZPJAFJ-TWGQIWQCSA-N 0 0 406.410 4.358 50 30 HIEARN CCOC(=O)c1ccc(C[C@H]2S/C(=N/N=C/c3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000004754375 559050914 /nfs/dbraw/zinc/05/09/14/559050914.db2.gz UIHUWLVNFSZAGV-LSCMLXDISA-N 0 0 423.538 4.151 50 30 HIEARN CC(C)OC(=NC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc2c(c1)OCO2 ZINC000004795675 559066437 /nfs/dbraw/zinc/06/64/37/559066437.db2.gz HNKATABHULQLIA-UHFFFAOYSA-N 0 0 408.376 4.145 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102573361 559151275 /nfs/dbraw/zinc/15/12/75/559151275.db2.gz DPTPWRPUJXZMNS-GHNGSUTGSA-N 0 0 414.845 4.470 50 30 HIEARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CSc2ccc3c(c2)CCC3)c1C#N ZINC000014202186 559156270 /nfs/dbraw/zinc/15/62/70/559156270.db2.gz JVDNHZCIVGPWLO-IBGZPJMESA-N 0 0 409.555 4.375 50 30 HIEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]Cc1ccc(OC)cc1 ZINC000100163121 559167446 /nfs/dbraw/zinc/16/74/46/559167446.db2.gz QXUHIYCUWQWESL-UCQKPKSFSA-N 0 0 406.511 4.356 50 30 HIEARN O=[N+]([O-])c1ccc(N=NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc1 ZINC000100191444 559176454 /nfs/dbraw/zinc/17/64/54/559176454.db2.gz ZYWRCULWWOOINP-KEBDBYFISA-N 0 0 424.329 4.045 50 30 HIEARN N#Cc1ccccc1-c1ccc(COC(=O)CCCn2cnc3ccccc3c2=O)cc1 ZINC000023497117 559176520 /nfs/dbraw/zinc/17/65/20/559176520.db2.gz LWMNKURUYLACSL-UHFFFAOYSA-N 0 0 423.472 4.459 50 30 HIEARN S=C(N=C(NCc1ccccc1)c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000004845268 559185758 /nfs/dbraw/zinc/18/57/58/559185758.db2.gz KOVUSLVQUKPPPF-UHFFFAOYSA-N 0 0 408.354 4.147 50 30 HIEARN COc1ccc(NS(=O)(=O)c2ccc(N=NC3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004865437 559193825 /nfs/dbraw/zinc/19/38/25/559193825.db2.gz PEZYOGDKZWROQL-UHFFFAOYSA-N 0 0 418.475 4.136 50 30 HIEARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004871477 559194386 /nfs/dbraw/zinc/19/43/86/559194386.db2.gz FDDWDDCGOIXFAD-OAQYLSRUSA-N 0 0 414.513 4.183 50 30 HIEARN CCCCCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CCCC1=N2 ZINC000004879106 559195970 /nfs/dbraw/zinc/19/59/70/559195970.db2.gz YLAIOMXMFXHWKJ-GOSISDBHSA-N 0 0 413.503 4.491 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000100439851 559200885 /nfs/dbraw/zinc/20/08/85/559200885.db2.gz DZXYUBRZKZNJAO-YDJIHCHBSA-N 0 0 400.390 4.221 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCc1cccs1 ZINC000004917796 559204445 /nfs/dbraw/zinc/20/44/45/559204445.db2.gz BMVVIMJYHBISDH-UHFFFAOYSA-N 0 0 408.504 4.244 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1OC ZINC000004919286 559204726 /nfs/dbraw/zinc/20/47/26/559204726.db2.gz FFSVXIKTDLQMPE-UGKGYDQZSA-N 0 0 410.466 4.032 50 30 HIEARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 ZINC000005092001 559243881 /nfs/dbraw/zinc/24/38/81/559243881.db2.gz HLIJUTRTSWJLDG-QWFCFKBJSA-N 0 0 414.509 4.463 50 30 HIEARN N#C[C@@H]1N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CCC[C@@]12CCCCO2 ZINC000252550141 559278194 /nfs/dbraw/zinc/27/81/94/559278194.db2.gz SALCTFOVNQOFPB-LPHOPBHVSA-N 0 0 406.408 4.183 50 30 HIEARN CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)NCC#Cc1ccccc1 ZINC000253420047 559280539 /nfs/dbraw/zinc/28/05/39/559280539.db2.gz SSWZTSXEIRTDRI-OAQYLSRUSA-N 0 0 406.526 4.447 50 30 HIEARN C=CCNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000005237103 560548551 /nfs/dbraw/zinc/54/85/51/560548551.db2.gz GXWFIHRXPGMLFN-YDZHTSKRSA-N 0 0 403.935 4.302 50 30 HIEARN C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)NC1(C#N)CCCCC1 ZINC000005305092 560563177 /nfs/dbraw/zinc/56/31/77/560563177.db2.gz BMXKWQUREKJVRH-AWEZNQCLSA-N 0 0 410.495 4.195 50 30 HIEARN COc1ccc([C@H]2c3c4nc(-c5ccccc5)nn4cnc3OC(C)=C2C(C)=O)cc1 ZINC000005348394 560571025 /nfs/dbraw/zinc/57/10/25/560571025.db2.gz QNMHABXSEQJSCB-HXUWFJFHSA-N 0 0 412.449 4.187 50 30 HIEARN CCc1sc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1Br ZINC000005399956 560583317 /nfs/dbraw/zinc/58/33/17/560583317.db2.gz VJOONURAUUCORG-KRWDZBQOSA-N 0 0 410.333 4.214 50 30 HIEARN Cc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000005426534 560585569 /nfs/dbraw/zinc/58/55/69/560585569.db2.gz NAZHUQHMUFQPSE-QRVIBDJDSA-N 0 0 410.477 4.367 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(C)cc1 ZINC000005478575 560595441 /nfs/dbraw/zinc/59/54/41/560595441.db2.gz BPIFQFFOLFPKMG-UHFFFAOYSA-N 0 0 400.454 4.449 50 30 HIEARN N#CC1(NC(=O)CSc2nc3ccccc3c(Nc3ccccc3)n2)CCCC1 ZINC000004891405 560615445 /nfs/dbraw/zinc/61/54/45/560615445.db2.gz QVTCSIFRQBBLEY-UHFFFAOYSA-N 0 0 403.511 4.418 50 30 HIEARN C=CCOc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 ZINC000005079520 560623300 /nfs/dbraw/zinc/62/33/00/560623300.db2.gz ITDOFTCMHQASME-RUCTVCJSSA-N 0 0 423.509 4.288 50 30 HIEARN COc1ccc(CCNc2nc(SC)nc(-c3ccccc3)c2C#N)cc1OC ZINC000005607382 560629985 /nfs/dbraw/zinc/62/99/85/560629985.db2.gz AHMKWQCBMZFOJP-UHFFFAOYSA-N 0 0 406.511 4.409 50 30 HIEARN CCOc1ccc(/C=C/C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)cc1OC ZINC000007586394 560635717 /nfs/dbraw/zinc/63/57/17/560635717.db2.gz YXNRGOFEOAWEJZ-UXBLZVDNSA-N 0 0 412.505 4.271 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)c1 ZINC000017251664 560705124 /nfs/dbraw/zinc/70/51/24/560705124.db2.gz JDLOKLRSGOCTMR-FQEVSTJZSA-N 0 0 404.397 4.012 50 30 HIEARN O=C1[C@H](c2ccccc2)S/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1 ZINC000100842617 560759755 /nfs/dbraw/zinc/75/97/55/560759755.db2.gz GXJKSVVWQRWBMW-XQDODVJUSA-N 0 0 408.504 4.380 50 30 HIEARN O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1cccc(Cl)c1 ZINC000100899686 560762198 /nfs/dbraw/zinc/76/21/98/560762198.db2.gz GLCMUQSYLPWCII-UHFFFAOYSA-N 0 0 400.825 4.445 50 30 HIEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000100930498 560763350 /nfs/dbraw/zinc/76/33/50/560763350.db2.gz UEFUBRXXQCFROU-ZVHZXABRSA-N 0 0 405.889 4.383 50 30 HIEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000018057395 560774169 /nfs/dbraw/zinc/77/41/69/560774169.db2.gz JEUQWKMUBZMGTB-HSZRJFAPSA-N 0 0 416.477 4.330 50 30 HIEARN CCCCN1C(=O)[C@](O)(CC(=O)C=Cc2ccco2)c2cc(Br)ccc21 ZINC000101789306 560801330 /nfs/dbraw/zinc/80/13/30/560801330.db2.gz RYKGEGBUIHNFRG-AQWUKCDYSA-N 0 0 418.287 4.049 50 30 HIEARN COc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000102578338 560816821 /nfs/dbraw/zinc/81/68/21/560816821.db2.gz CZPQGGPVVSKTJT-FQEVSTJZSA-N 0 0 415.493 4.375 50 30 HIEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102799193 560828194 /nfs/dbraw/zinc/82/81/94/560828194.db2.gz CSRLOLDGDZTGPH-JBCNATCCSA-N 0 0 409.482 4.403 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875930 560830667 /nfs/dbraw/zinc/83/06/67/560830667.db2.gz JBSITHXZPKMWGY-NHFXJNLRSA-N 0 0 421.884 4.049 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000102859072 560831330 /nfs/dbraw/zinc/83/13/30/560831330.db2.gz WUNRLHRFXVRCJF-WOOAAIBNSA-N 0 0 406.463 4.086 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102876792 560833380 /nfs/dbraw/zinc/83/33/80/560833380.db2.gz LPPAWBSGQKRXBI-YDJIHCHBSA-N 0 0 407.397 4.049 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102931972 560835605 /nfs/dbraw/zinc/83/56/05/560835605.db2.gz OXHIPGCTTURWAC-AYWGPLOBSA-N 0 0 413.473 4.360 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O ZINC000103356496 560840883 /nfs/dbraw/zinc/84/08/83/560840883.db2.gz MMURDXBMNQFPOY-JKIFEVAISA-N 0 0 419.978 4.269 50 30 HIEARN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(F)c(F)c1 ZINC000044858940 560897536 /nfs/dbraw/zinc/89/75/36/560897536.db2.gz YOWWVXMCGDWTMH-NRFANRHFSA-N 0 0 420.419 4.436 50 30 HIEARN COc1cccc(C(=O)N/C(=N/c2cc(Cl)ccc2C)NCc2ccncc2)c1 ZINC000045940607 568421798 /nfs/dbraw/zinc/42/17/98/568421798.db2.gz OQTHQHZOXPBMLT-UHFFFAOYSA-N 0 0 408.889 4.259 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(CC)cc2)NCc2ccccn2)cc1 ZINC000046125239 568428371 /nfs/dbraw/zinc/42/83/71/568428371.db2.gz XTWUOZIJZSIVDO-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)cc2Cl)c1 ZINC000046126424 568428588 /nfs/dbraw/zinc/42/85/88/568428588.db2.gz NJLWKZQVQHWTSE-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CCc1ccc(NC(=NC(=O)c2cccc(N(C)C)c2)NCc2ccccn2)cc1 ZINC000046126969 568428794 /nfs/dbraw/zinc/42/87/94/568428794.db2.gz XGCXXUUVWVNLFK-UHFFFAOYSA-N 0 0 401.514 4.108 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(F)c(Cl)c2)c1 ZINC000046128122 568428943 /nfs/dbraw/zinc/42/89/43/568428943.db2.gz VQZAWBCGDQTXLQ-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc1Cl ZINC000046131388 568429423 /nfs/dbraw/zinc/42/94/23/568429423.db2.gz GTAVBCGGJBBEME-KRWDZBQOSA-N 0 0 401.894 4.034 50 30 HIEARN O=C(N=C(NC[C@@H]1CCCO1)Nc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000046131817 568429520 /nfs/dbraw/zinc/42/95/20/568429520.db2.gz VZQYWGJDKKGIRQ-KRWDZBQOSA-N 0 0 409.383 4.221 50 30 HIEARN COc1ccc(N2C(=O)[C@@H](Oc3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000048324972 568438364 /nfs/dbraw/zinc/43/83/64/568438364.db2.gz IBWJODXSBJOKOW-GOTSBHOMSA-N 0 0 400.434 4.111 50 30 HIEARN CCc1nc(SCC(=O)NCc2ccc(F)cc2)c(C#N)c(C(F)(F)F)c1C ZINC000000663938 568460344 /nfs/dbraw/zinc/46/03/44/568460344.db2.gz HNPYVOBIZXILBI-UHFFFAOYSA-N 0 0 411.424 4.391 50 30 HIEARN Cc1coc(NC(=O)CSc2nc(-c3ccncc3)cc(C(F)(F)F)c2C#N)n1 ZINC000000804190 568486508 /nfs/dbraw/zinc/48/65/08/568486508.db2.gz 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ZINC000095477729 568631324 /nfs/dbraw/zinc/63/13/24/568631324.db2.gz VIAKLRZLWUPXGH-UHFFFAOYSA-N 0 0 403.486 4.359 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccc(OC)c1 ZINC000225509478 568644885 /nfs/dbraw/zinc/64/48/85/568644885.db2.gz GLUPCKMNGBAEEO-NZQKXSOJSA-N 0 0 410.466 4.032 50 30 HIEARN N#CCCSc1ccccc1NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000095944770 568663056 /nfs/dbraw/zinc/66/30/56/568663056.db2.gz LGDYNTUNABOUDT-UHFFFAOYSA-N 0 0 414.552 4.418 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000229412779 568713872 /nfs/dbraw/zinc/71/38/72/568713872.db2.gz RBGVQGZNNOUQAA-MTJIALIYSA-N 0 0 418.588 4.458 50 30 HIEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000005787850 568733225 /nfs/dbraw/zinc/73/32/25/568733225.db2.gz LJQHGEDNPQKBDF-MRXNPFEDSA-N 0 0 406.225 4.412 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 ZINC000000937264 568751860 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50 30 HIEARN N#Cc1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000002622717 568788095 /nfs/dbraw/zinc/78/80/95/568788095.db2.gz JXQBCYMSBXGBSB-UHFFFAOYSA-N 0 0 404.426 4.387 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccccc1F ZINC000002625687 568789205 /nfs/dbraw/zinc/78/92/05/568789205.db2.gz XQQXBYHHZLPIAI-RLFYNMQTSA-N 0 0 402.539 4.303 50 30 HIEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(C)cc(C)c1C#N ZINC000002889019 568814324 /nfs/dbraw/zinc/81/43/24/568814324.db2.gz PUGKNKUDNONTIO-UHFFFAOYSA-N 0 0 403.529 4.156 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@](C)(OC(C)=O)[C@]4(C)CC[C@@H]32)C1 ZINC000257358559 568818197 /nfs/dbraw/zinc/81/81/97/568818197.db2.gz VDMRSWDDYYBJOQ-MNAJKQBRSA-N 0 0 402.531 4.382 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 ZINC000005847409 568825636 /nfs/dbraw/zinc/82/56/36/568825636.db2.gz RGMVPNVBTGQDMB-OAQYLSRUSA-N 0 0 416.433 4.018 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)c1 ZINC000005883684 568828027 /nfs/dbraw/zinc/82/80/27/568828027.db2.gz MAAGFYBKIVHAHJ-HXUWFJFHSA-N 0 0 404.422 4.083 50 30 HIEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cc(Br)ccn1 ZINC000005881561 568828074 /nfs/dbraw/zinc/82/80/74/568828074.db2.gz GKSQAJIBNKPPQV-AUEPDCJTSA-N 0 0 406.243 4.281 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005931434 568830182 /nfs/dbraw/zinc/83/01/82/568830182.db2.gz CSQCQABMFKLXLP-UGSOOPFHSA-N 0 0 424.570 4.291 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1F ZINC000006025314 568835680 /nfs/dbraw/zinc/83/56/80/568835680.db2.gz MPXXBBAHXNFOIV-FQEVSTJZSA-N 0 0 407.397 4.211 50 30 HIEARN CCCCCCCNC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F ZINC000003020925 568840201 /nfs/dbraw/zinc/84/02/01/568840201.db2.gz YLOBVWYYQFHRPC-UHFFFAOYSA-N 0 0 418.534 4.277 50 30 HIEARN NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1c1ccccc1 ZINC000003176727 568859872 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CCOC(C(=O)OCC(=O)Nc1ccccc1C#N)(c1ccccc1)c1ccccc1 ZINC000003355176 568886475 /nfs/dbraw/zinc/88/64/75/568886475.db2.gz BYSJIYAOYRRJRZ-UHFFFAOYSA-N 0 0 414.461 4.020 50 30 HIEARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(C#N)cc1 ZINC000003359411 568887415 /nfs/dbraw/zinc/88/74/15/568887415.db2.gz IWPHXYYRMDDULE-JTQLQIEISA-N 0 0 424.092 4.489 50 30 HIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 ZINC000003385574 568893418 /nfs/dbraw/zinc/89/34/18/568893418.db2.gz CBSXDCRABBIPKY-UHFFFAOYSA-N 0 0 405.527 4.138 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1ccccc1F ZINC000003395358 568895198 /nfs/dbraw/zinc/89/51/98/568895198.db2.gz VLUDJDRINVACHU-UHFFFAOYSA-N 0 0 408.502 4.490 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000003516205 568911767 /nfs/dbraw/zinc/91/17/67/568911767.db2.gz XPWIMULDDMVFMA-ZDUSSCGKSA-N 0 0 417.600 4.062 50 30 HIEARN C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4)c1cccs1 ZINC000001296363 568913021 /nfs/dbraw/zinc/91/30/21/568913021.db2.gz 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C=CCc1ccc(OC(=O)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)c(OC)c1 ZINC000004028136 568934137 /nfs/dbraw/zinc/93/41/37/568934137.db2.gz CFRODJHXEPRBME-UHFFFAOYSA-N 0 0 414.413 4.124 50 30 biogenic HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1F ZINC000016731074 568937306 /nfs/dbraw/zinc/93/73/06/568937306.db2.gz AXUQCVACFPAJMX-OAQYLSRUSA-N 0 0 418.424 4.013 50 30 HIEARN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000084350474 568947078 /nfs/dbraw/zinc/94/70/78/568947078.db2.gz LYKJLRHCAFSPQI-UHFFFAOYSA-N 0 0 416.680 4.317 50 30 HIEARN CC(=O)c1ccc(N(Cc2ccccc2C#N)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000015551553 568949097 /nfs/dbraw/zinc/94/90/97/568949097.db2.gz XHOMRWMGKNGEJK-UHFFFAOYSA-N 0 0 404.491 4.465 50 30 HIEARN C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2C1=O ZINC000015595980 568953028 /nfs/dbraw/zinc/95/30/28/568953028.db2.gz ZNJUAZPJKKHRGE-GOSISDBHSA-N 0 0 417.490 4.056 50 30 HIEARN Cc1cc(SCC(=O)N2CCc3ccccc3C2)n2c3ccccc3nc2c1C#N ZINC000004270011 568956547 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HIEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccc2c(c1)OCO2 ZINC000008156472 568978028 /nfs/dbraw/zinc/97/80/28/568978028.db2.gz XDZWQLVCQZYUIB-AWEZNQCLSA-N 0 0 411.527 4.076 50 30 HIEARN C=CCSc1nnc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1CC ZINC000085393006 568984607 /nfs/dbraw/zinc/98/46/07/568984607.db2.gz SVNAHMGNLDJBHJ-UHFFFAOYSA-N 0 0 424.551 4.435 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000009569623 568986986 /nfs/dbraw/zinc/98/69/86/568986986.db2.gz TYKPQBTZOBAFOS-QGZVFWFLSA-N 0 0 411.527 4.141 50 30 HIEARN COc1cc([C@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001466055 568990952 /nfs/dbraw/zinc/99/09/52/568990952.db2.gz JFFDEQPKASGQDI-FQEVSTJZSA-N 0 0 413.514 4.347 50 30 HIEARN C#CCN(Cc1ccco1)C(=O)c1cc(COc2ccc(OC)c3ccccc23)on1 ZINC000012431744 568994835 /nfs/dbraw/zinc/99/48/35/568994835.db2.gz LNMNMOHZTJBUMG-UHFFFAOYSA-N 0 0 416.433 4.284 50 30 HIEARN C=CCOc1ccccc1C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000012981089 568997471 /nfs/dbraw/zinc/99/74/71/568997471.db2.gz FVHXGRULVHRWMD-UHFFFAOYSA-N 0 0 415.515 4.253 50 30 HIEARN CC1(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)C(=O)OC2(CCCCC2)OC1=O ZINC000328579174 569002658 /nfs/dbraw/zinc/00/26/58/569002658.db2.gz XZOHIXYQGCQJFM-UHFFFAOYSA-N 0 0 414.273 4.280 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccn1 ZINC000016755554 569005451 /nfs/dbraw/zinc/00/54/51/569005451.db2.gz XUZYYHQRTQPBBQ-UHFFFAOYSA-N 0 0 403.870 4.049 50 30 HIEARN COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(C#CC(C)(C)O)cc2)cc1 ZINC000001101467 569006399 /nfs/dbraw/zinc/00/63/99/569006399.db2.gz ZPMMELRRZIQEGJ-HXUWFJFHSA-N 0 0 412.580 4.262 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccc(Cl)c1 ZINC000001270317 569006478 /nfs/dbraw/zinc/00/64/78/569006478.db2.gz DZTFRDMOGLIUFL-UHFFFAOYSA-N 0 0 401.875 4.171 50 30 HIEARN O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000001506018 569006785 /nfs/dbraw/zinc/00/67/85/569006785.db2.gz FTDSEZIAMKBRFG-NFJKTXFASA-N 0 0 413.860 4.090 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccn1)N(C(=O)CC)c1ccccc1-2 ZINC000002463704 569007326 /nfs/dbraw/zinc/00/73/26/569007326.db2.gz ZSPNRRADTKYJMX-FQEVSTJZSA-N 0 0 405.483 4.046 50 30 HIEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000019227850 569007843 /nfs/dbraw/zinc/00/78/43/569007843.db2.gz UHYSLNZBZAGVNZ-NRFANRHFSA-N 0 0 413.514 4.259 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000019314739 569009587 /nfs/dbraw/zinc/00/95/87/569009587.db2.gz ZHIJKDDTEPLFKW-QGZVFWFLSA-N 0 0 404.304 4.226 50 30 HIEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000019227904 569009607 /nfs/dbraw/zinc/00/96/07/569009607.db2.gz RYEXRWJWKORFFP-NRFANRHFSA-N 0 0 413.514 4.259 50 30 HIEARN COc1ccc(O[C@@H](NOC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003137410 569012509 /nfs/dbraw/zinc/01/25/09/569012509.db2.gz YTXUNNKEGODGGE-MRXNPFEDSA-N 0 0 404.677 4.061 50 30 HIEARN C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1[C@H]1COc2ccccc2O1 ZINC000012876182 569013629 /nfs/dbraw/zinc/01/36/29/569013629.db2.gz XHWJEUDZOHYBMJ-XJKSGUPXSA-N 0 0 413.503 4.336 50 30 HIEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000006160154 569015528 /nfs/dbraw/zinc/01/55/28/569015528.db2.gz GMWVZMSSJHEUJF-MOBKVPTQSA-N 0 0 406.526 4.067 50 30 HIEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000012881009 569018251 /nfs/dbraw/zinc/01/82/51/569018251.db2.gz ZVBSOUYZBQSXEW-FQEVSTJZSA-N 0 0 424.476 4.111 50 30 HIEARN C=CCn1c2ccc(C)cc2cc(CN2CCN(c3ccccc3Cl)CC2)c1=O ZINC000020271817 569018744 /nfs/dbraw/zinc/01/87/44/569018744.db2.gz QOQXTDOYSLUMPR-UHFFFAOYSA-N 0 0 407.945 4.472 50 30 HIEARN C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Br ZINC000012889559 569019848 /nfs/dbraw/zinc/01/98/48/569019848.db2.gz AWQIVYZHJQIWRS-JTQLQIEISA-N 0 0 424.092 4.489 50 30 HIEARN C=CCn1c(SCc2nc(CC(C)C)no2)nc2sc3c(c2c1=O)CCC3 ZINC000012898062 569020433 /nfs/dbraw/zinc/02/04/33/569020433.db2.gz RQQVXDTYKWUOBF-UHFFFAOYSA-N 0 0 402.545 4.007 50 30 HIEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)C(C(=O)OC)=C1C ZINC000016291396 569030427 /nfs/dbraw/zinc/03/04/27/569030427.db2.gz UUDSWHOLHMQSRO-ZHZULCJRSA-N 0 0 420.509 4.270 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006382580 569046227 /nfs/dbraw/zinc/04/62/27/569046227.db2.gz FYTLKZOOHNWGGB-HXUWFJFHSA-N 0 0 404.422 4.083 50 30 HIEARN CCOc1cc(C#N)cc(I)c1OCc1cccc([N+](=O)[O-])c1 ZINC000016426266 569048253 /nfs/dbraw/zinc/04/82/53/569048253.db2.gz DOXPASIHIFJRLZ-UHFFFAOYSA-N 0 0 424.194 4.049 50 30 HIEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccccc4)CC3)c2c1 ZINC000064473954 569063612 /nfs/dbraw/zinc/06/36/12/569063612.db2.gz SYTGQIOLVZKTAF-UHFFFAOYSA-N 0 0 400.482 4.360 50 30 HIEARN COc1ccc(CCNC(=NC(=O)c2ccccc2Cl)OCC(C)C)cc1OC ZINC000006563735 569066140 /nfs/dbraw/zinc/06/61/40/569066140.db2.gz NCGWKPCIKASYPD-UHFFFAOYSA-N 0 0 418.921 4.358 50 30 HIEARN Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1nc3ccccc3[nH]1)[C@H]1CCCCN21 ZINC000006589980 569068181 /nfs/dbraw/zinc/06/81/81/569068181.db2.gz WLMYTEBZMUDKGB-RCZVLFRGSA-N 0 0 408.509 4.434 50 30 HIEARN COc1ccccc1N1C[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1=O ZINC000006602241 569069990 /nfs/dbraw/zinc/06/99/90/569069990.db2.gz PQOFSKHCVPZOBG-HXUWFJFHSA-N 0 0 412.445 4.192 50 30 HIEARN COc1cc(/C=C2\Oc3cc(OC(=O)C(C)C)cc(C)c3C2=O)cc(OC)c1OC ZINC000006624105 569075494 /nfs/dbraw/zinc/07/54/94/569075494.db2.gz ZKXINNJWQYZLCZ-IUXPMGMMSA-N 0 0 412.438 4.198 50 30 biogenic HIEARN N#CCCN(C(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)c1ccccc1F ZINC000006625511 569075769 /nfs/dbraw/zinc/07/57/69/569075769.db2.gz DNRBXIOYZKFRHQ-SFHVURJKSA-N 0 0 407.474 4.239 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000006654558 569082864 /nfs/dbraw/zinc/08/28/64/569082864.db2.gz PHWDORWKBBQQIH-QGZVFWFLSA-N 0 0 402.475 4.279 50 30 HIEARN COc1cc(OC)cc(C(=O)Oc2cc3c(c(C)c2)C(=O)/C(=C/c2ccncc2)O3)c1 ZINC000006661942 569085472 /nfs/dbraw/zinc/08/54/72/569085472.db2.gz 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COc1ccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3)n2)cc1 ZINC000065147951 569184364 /nfs/dbraw/zinc/18/43/64/569184364.db2.gz JRGMNGCIICEVGU-LJQANCHMSA-N 0 0 413.481 4.120 50 30 HIEARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007538030 569247024 /nfs/dbraw/zinc/24/70/24/569247024.db2.gz HXVQBNZFAALFCA-MRXNPFEDSA-N 0 0 409.559 4.310 50 30 HIEARN C=CCn1c(S[C@@H](C(=O)OCC)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000009883732 569251555 /nfs/dbraw/zinc/25/15/55/569251555.db2.gz RFCROXZUAILQAD-GOSISDBHSA-N 0 0 424.482 4.436 50 30 HIEARN N#CN=C(Nc1ccccc1Cl)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000013574483 569256115 /nfs/dbraw/zinc/25/61/15/569256115.db2.gz SIBFSTYSNKEHNJ-HNNXBMFYSA-N 0 0 419.293 4.117 50 30 HIEARN COc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(C#N)cc3)nccn2n1 ZINC000016842074 569263774 /nfs/dbraw/zinc/26/37/74/569263774.db2.gz COQOYESZOIQRHN-UHFFFAOYSA-N 0 0 415.478 4.007 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1ccco1 ZINC000017147655 569275736 /nfs/dbraw/zinc/27/57/36/569275736.db2.gz QTIXVPFSMICETH-OAQYLSRUSA-N 0 0 403.434 4.375 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1ccccn1 ZINC000002544574 569288455 /nfs/dbraw/zinc/28/84/55/569288455.db2.gz UXVVXZCHAQDQLE-UHFFFAOYSA-N 0 0 422.558 4.103 50 30 HIEARN Cc1ccc(S(=O)(=O)NN=C2[C@H](C)CC[C@]3(O)[C@H](C)CC[C@@H](C(C)C)[C@@H]23)cc1 ZINC000252516657 569292278 /nfs/dbraw/zinc/29/22/78/569292278.db2.gz VUGGHMZYUWKQCY-AQFHFAHGSA-N 0 0 406.592 4.109 50 30 HIEARN O=S(=O)(NN=Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000252616668 569301324 /nfs/dbraw/zinc/30/13/24/569301324.db2.gz KDGJYZVEUXIQAK-UHFFFAOYSA-N 0 0 408.104 4.068 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(C)cc1C ZINC000007759957 569307300 /nfs/dbraw/zinc/30/73/00/569307300.db2.gz LJICXXZMSKGJDI-UHFFFAOYSA-N 0 0 407.470 4.199 50 30 HIEARN COc1ccccc1N=C1S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N1C ZINC000252629956 569311554 /nfs/dbraw/zinc/31/15/54/569311554.db2.gz UREUWHZXGYJBAP-QGZVFWFLSA-N 0 0 417.918 4.247 50 30 HIEARN C=CCn1c(SCC(=O)NCCc2cccs2)nnc1-c1ccc(Cl)cc1 ZINC000007834291 569313974 /nfs/dbraw/zinc/31/39/74/569313974.db2.gz AQLVBUYXXHDIMM-UHFFFAOYSA-N 0 0 418.975 4.297 50 30 HIEARN CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OCC)cc1 ZINC000066091531 569314525 /nfs/dbraw/zinc/31/45/25/569314525.db2.gz YGZWJRJWARSQSN-NRFANRHFSA-N 0 0 409.482 4.090 50 30 HIEARN CCN(Cc1ccc(Br)s1)C(=O)COc1ccc(C#N)cc1Cl ZINC000007857539 569314813 /nfs/dbraw/zinc/31/48/13/569314813.db2.gz WMIYVRJNTKEUHX-UHFFFAOYSA-N 0 0 413.724 4.463 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000252637841 569317520 /nfs/dbraw/zinc/31/75/20/569317520.db2.gz XXIAUQLGBJCRQD-MRXNPFEDSA-N 0 0 405.882 4.459 50 30 HIEARN Cc1ccc([N+](=O)[O-])cc1N=C(c1cccc(Br)c1)N1CCOCC1 ZINC000252641291 569318663 /nfs/dbraw/zinc/31/86/63/569318663.db2.gz ZBBZTCYLSMZUBS-UHFFFAOYSA-N 0 0 404.264 4.076 50 30 HIEARN O=C1[C@H](c2ccccc2)S/C(=N/S(=O)(=O)c2cccs2)N1c1ccccc1 ZINC000002637934 569320442 /nfs/dbraw/zinc/32/04/42/569320442.db2.gz MAGWHHLITARTQY-NRTINQSCSA-N 0 0 414.533 4.314 50 30 HIEARN C=CCNC(=O)c1c(N)n(-c2ccc(OCCCC)cc2)c2nc3ccccc3nc21 ZINC000002291749 569369147 /nfs/dbraw/zinc/36/91/47/569369147.db2.gz NTWCOQTXHXRLRN-UHFFFAOYSA-N 0 0 415.497 4.251 50 30 HIEARN C=CCOC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc21 ZINC000002304455 569372258 /nfs/dbraw/zinc/37/22/58/569372258.db2.gz CHWMQTOIJVJGNH-UHFFFAOYSA-N 0 0 423.270 4.261 50 30 HIEARN CSc1nn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000632450 569383866 /nfs/dbraw/zinc/38/38/66/569383866.db2.gz BEJWMNUUNLCUID-UHFFFAOYSA-N 0 0 400.467 4.297 50 30 HIEARN N#Cc1cnc(Sc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)nc1N ZINC000008637007 569389960 /nfs/dbraw/zinc/38/99/60/569389960.db2.gz DRHUSZUZYNQHLT-UHFFFAOYSA-N 0 0 419.901 4.042 50 30 HIEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)c1 ZINC000008879564 569390850 /nfs/dbraw/zinc/39/08/50/569390850.db2.gz AZVQAIZQUIVFMO-YVNNLAQVSA-N 0 0 416.385 4.259 50 30 HIEARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1CCC(=O)Nc1cccc(Cl)c1 ZINC000009546900 569393550 /nfs/dbraw/zinc/39/35/50/569393550.db2.gz HCJMJIRXIDACQZ-UHFFFAOYSA-N 0 0 404.857 4.186 50 30 HIEARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OCc3ccc(C#N)cc3)cc2)cc1 ZINC000010149042 569395284 /nfs/dbraw/zinc/39/52/84/569395284.db2.gz FDWIETJEUXMVCL-UHFFFAOYSA-N 0 0 420.490 4.049 50 30 HIEARN COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c(OC)c1 ZINC000012662365 569402728 /nfs/dbraw/zinc/40/27/28/569402728.db2.gz GOYPZAGURHFCIH-JMIUGGIZSA-N 0 0 412.438 4.041 50 30 HIEARN COc1cccc(/C=C/c2nc(C#N)c(NCCc3ccc(OC)c(OC)c3)o2)c1 ZINC000008494525 571061442 /nfs/dbraw/zinc/06/14/42/571061442.db2.gz AQOACMRTGKAEKT-CSKARUKUSA-N 0 0 405.454 4.397 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000008740790 571110205 /nfs/dbraw/zinc/11/02/05/571110205.db2.gz UWYUDRQIIBYNID-OAQYLSRUSA-N 0 0 416.433 4.331 50 30 HIEARN C=CCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)n1 ZINC000008917382 571153469 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CCCNc1c2ccccc2oc(=O)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000028049001 520127526 /nfs/dbraw/zinc/12/75/26/520127526.db2.gz URPREMMUDTYHTO-OAHLLOKOSA-N 0 0 405.454 4.256 50 30 HIEARN CCCCCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032828650 520228377 /nfs/dbraw/zinc/22/83/77/520228377.db2.gz FRDRRYWOBDUAPG-LJQANCHMSA-N 0 0 412.490 4.410 50 30 HIEARN CCCCN(C)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032682605 520439237 /nfs/dbraw/zinc/43/92/37/520439237.db2.gz KANBHARSQWPVEJ-LJQANCHMSA-N 0 0 412.490 4.044 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1Br ZINC000025695327 520495779 /nfs/dbraw/zinc/49/57/79/520495779.db2.gz FKHZPEZWYAHEQO-KRWDZBQOSA-N 0 0 419.319 4.011 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2ccccc2O)C1=O ZINC000036301355 520535070 /nfs/dbraw/zinc/53/50/70/520535070.db2.gz OHPUKOODKDEXRM-QGOAFFKASA-N 0 0 411.479 4.335 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000001175977 520805122 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ZINC000002776174 557385481 /nfs/dbraw/zinc/38/54/81/557385481.db2.gz HCSOTTWQJMKTSE-NRFANRHFSA-N 0 0 409.507 4.338 50 30 HIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000002801341 557390781 /nfs/dbraw/zinc/39/07/81/557390781.db2.gz GSCPYAPYBLAJLN-FQEVSTJZSA-N 0 0 417.889 4.380 50 30 HIEARN C=CCOc1c(Br)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC ZINC000002850205 557404111 /nfs/dbraw/zinc/40/41/11/557404111.db2.gz JDMLKOZAZPCRMF-LCYFTJDESA-N 0 0 420.284 4.429 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Br ZINC000002981097 557435368 /nfs/dbraw/zinc/43/53/68/557435368.db2.gz OUHONBWMSRSLLW-GOSISDBHSA-N 0 0 404.304 4.370 50 30 HIEARN CC(C)c1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000004199550 557528112 /nfs/dbraw/zinc/52/81/12/557528112.db2.gz JUONALDFJZGCQV-JJIBRWJFSA-N 0 0 407.566 4.422 50 30 HIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1OC ZINC000004371094 557548028 /nfs/dbraw/zinc/54/80/28/557548028.db2.gz ABBIMKFXFFWGJT-AWQFTUOYSA-N 0 0 409.298 4.440 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COc1ccccc1N1CCN(/N=C\c2cccc(OCc3ccccc3)c2)CC1 ZINC000005052910 557630705 /nfs/dbraw/zinc/63/07/05/557630705.db2.gz GYUUIHLDVIQPSI-XHPQRKPJSA-N 0 0 401.510 4.430 50 30 HIEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccnc2)n1 ZINC000005092843 557634986 /nfs/dbraw/zinc/63/49/86/557634986.db2.gz BNVUUIZZMVDLSB-NRFANRHFSA-N 0 0 402.498 4.028 50 30 HIEARN CCCOc1ccccc1C=Nn1cnnc1N=NCc1ccccc1OCCC ZINC000005247000 557641615 /nfs/dbraw/zinc/64/16/15/557641615.db2.gz JOGFORAEYZADBP-VZCAVXRFSA-N 0 0 406.490 4.184 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000005578230 557662980 /nfs/dbraw/zinc/66/29/80/557662980.db2.gz APJDYQGFJNZSKG-QFIPXVFZSA-N 0 0 415.445 4.487 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 ZINC000005583904 557663377 /nfs/dbraw/zinc/66/33/77/557663377.db2.gz YBPCCROFNYOOMT-NRFANRHFSA-N 0 0 402.425 4.308 50 30 HIEARN C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=N\N=C\c1ccco1 ZINC000006142416 557690461 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/nfs/dbraw/zinc/82/08/85/557820885.db2.gz QSZFWEFCOAYFHS-AREMUKBSSA-N 0 0 424.548 4.364 50 30 HIEARN Cc1ccc(Nc2nc(CN3CCN(Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000022785861 557820926 /nfs/dbraw/zinc/82/09/26/557820926.db2.gz DVJDLYFJKJYVEF-UHFFFAOYSA-N 0 0 403.555 4.385 50 30 HIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000009483287 557844001 /nfs/dbraw/zinc/84/40/01/557844001.db2.gz LRDHJVUYCMLYJT-DEOSSOPVSA-N 0 0 419.525 4.058 50 30 HIEARN O=C1c2ccccc2C2=Nc3ccccc3S(=O)(=O)[C@@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000009553937 557845461 /nfs/dbraw/zinc/84/54/61/557845461.db2.gz LJYYHZMACCBZER-QFIPXVFZSA-N 0 0 418.430 4.143 50 30 HIEARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(I)c(C)c1 ZINC000009971497 557852883 /nfs/dbraw/zinc/85/28/83/557852883.db2.gz AYBDFTZKCJQOPF-YODDIOPGSA-N 0 0 417.250 4.341 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000019770272 558279176 /nfs/dbraw/zinc/27/91/76/558279176.db2.gz JIAZCSREDLLJMN-BTYIYWSLSA-N 0 0 413.489 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COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)CC(C)C)cc1)=C2 ZINC000062001433 560565836 /nfs/dbraw/zinc/56/58/36/560565836.db2.gz TTWUPOBTIZMVJU-UHFFFAOYSA-N 0 0 422.525 4.400 50 30 HIEARN CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 ZINC000005429156 560586370 /nfs/dbraw/zinc/58/63/70/560586370.db2.gz HFVWKGIHYSVSGS-VZMFNRANSA-N 0 0 410.499 4.102 50 30 HIEARN C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1OC ZINC000002664960 560587349 /nfs/dbraw/zinc/58/73/49/560587349.db2.gz KOLTYLMMPOWCID-UHFFFAOYSA-N 0 0 405.483 4.482 50 30 HIEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000003271516 560591078 /nfs/dbraw/zinc/59/10/78/560591078.db2.gz GTSLLJOPRPNOTK-UHFFFAOYSA-N 0 0 416.591 4.343 50 30 HIEARN Cc1ccc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000005612331 560630195 /nfs/dbraw/zinc/63/01/95/560630195.db2.gz SVAFRVTYBHUWQC-UFFVCSGVSA-N 0 0 409.298 4.004 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000008990599 560640713 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N#Cc1ccccc1OCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000018110532 560775934 /nfs/dbraw/zinc/77/59/34/560775934.db2.gz DSCNQBSUGMYUHV-UHFFFAOYSA-N 0 0 408.461 4.106 50 30 HIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cc(Cl)ccc1O ZINC000018195870 560782410 /nfs/dbraw/zinc/78/24/10/560782410.db2.gz SJBJUHKQTOIASJ-SFHVURJKSA-N 0 0 407.857 4.089 50 30 HIEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccc(OC(F)(F)F)cc3)C12 ZINC000018200768 560783067 /nfs/dbraw/zinc/78/30/67/560783067.db2.gz RTODCIKGLYGBPH-XIKOKIGWSA-N 0 0 416.359 4.185 50 30 HIEARN C[C@@H](NC1=C(NC(=O)c2cccs2)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000102138152 560808136 /nfs/dbraw/zinc/80/81/36/560808136.db2.gz AYQUKOFPYCPBLV-CQSZACIVSA-N 0 0 402.475 4.120 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102535722 560813717 /nfs/dbraw/zinc/81/37/17/560813717.db2.gz AXXKTTZSGHFJKN-YDJIHCHBSA-N 0 0 406.413 4.311 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000102539864 560813996 /nfs/dbraw/zinc/81/39/96/560813996.db2.gz SSAQPQIWTNVZDH-MOBKVPTQSA-N 0 0 415.445 4.330 50 30 HIEARN CCOc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000102577456 560816867 /nfs/dbraw/zinc/81/68/67/560816867.db2.gz JBCZOOCWUOIERW-HXUWFJFHSA-N 0 0 401.466 4.129 50 30 HIEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102700700 560820219 /nfs/dbraw/zinc/82/02/19/560820219.db2.gz GXTXOFZTLRSQPY-JBCNATCCSA-N 0 0 418.449 4.398 50 30 HIEARN CCSC1(SCC)NC(=N)[C@]2(C#N)[C@@H](c3ccccc3)NC(C)=C(C)[C@]12C#N ZINC000102684175 560821285 /nfs/dbraw/zinc/82/12/85/560821285.db2.gz LAPWMKGSGLMNJI-HOJAQTOUSA-N 0 0 411.600 4.176 50 30 aggregator HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000102803664 560826576 /nfs/dbraw/zinc/82/65/76/560826576.db2.gz KCVOQTAHJOFIBZ-YDJIHCHBSA-N 0 0 420.852 4.370 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102803897 560826680 /nfs/dbraw/zinc/82/66/80/560826680.db2.gz XYDZDLMUDOLCBJ-YDJIHCHBSA-N 0 0 404.422 4.008 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102880490 560833796 /nfs/dbraw/zinc/83/37/96/560833796.db2.gz RRPFNDADZWPQMQ-YDJIHCHBSA-N 0 0 421.884 4.049 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102880984 560833801 /nfs/dbraw/zinc/83/38/01/560833801.db2.gz QZASJCFAWQUTBM-UDOZCRMJSA-N 0 0 411.885 4.249 50 30 HIEARN CCN=C(Nc1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000005715741 560840681 /nfs/dbraw/zinc/84/06/81/560840681.db2.gz GRQLQCMTHXYJIV-KRWDZBQOSA-N 0 0 417.918 4.011 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)cc1 ZINC000104095140 560847972 /nfs/dbraw/zinc/84/79/72/560847972.db2.gz MXVGDJPJQOROKD-JBCNATCCSA-N 0 0 403.409 4.461 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000104134767 560848524 /nfs/dbraw/zinc/84/85/24/560848524.db2.gz PYJWPROGNOWYIL-HOGKFDNTSA-N 0 0 401.437 4.490 50 30 HIEARN CSc1cccc(NC(=NCc2ccncc2)NC(=O)c2ccc(C)c(F)c2)c1 ZINC000045940059 568421681 /nfs/dbraw/zinc/42/16/81/568421681.db2.gz GJAJLZZOPYKCPY-UHFFFAOYSA-N 0 0 408.502 4.458 50 30 HIEARN O=C(N=C(NCc1ccccn1)Nc1cccc(Br)c1)c1ccccc1 ZINC000046126745 568428689 /nfs/dbraw/zinc/42/86/89/568428689.db2.gz WFTFOQMNHXWPDK-UHFFFAOYSA-N 0 0 409.287 4.242 50 30 HIEARN O=C(N=C(NCc1cccnc1)Nc1ccc(Br)cc1)c1ccccc1 ZINC000046127254 568428805 /nfs/dbraw/zinc/42/88/05/568428805.db2.gz UHQVEGNHOOAOOJ-UHFFFAOYSA-N 0 0 409.287 4.242 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1cccc(F)c1)NCc1cccnc1 ZINC000046127426 568428817 /nfs/dbraw/zinc/42/88/17/568428817.db2.gz WTLNWNGHYIHIPR-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN O=C(N=C(NCc1cccnc1)Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000046128705 568429031 /nfs/dbraw/zinc/42/90/31/568429031.db2.gz UCDSYMYLFPVFNY-UHFFFAOYSA-N 0 0 402.351 4.036 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000046129074 568429089 /nfs/dbraw/zinc/42/90/89/568429089.db2.gz RAOVZCCVNIFXGH-QGZVFWFLSA-N 0 0 401.894 4.116 50 30 HIEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(Cl)ccc2OC)cc1 ZINC000046129860 568429232 /nfs/dbraw/zinc/42/92/32/568429232.db2.gz GVSBODHTWKNKDN-GOSISDBHSA-N 0 0 415.921 4.288 50 30 HIEARN Cc1cccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NC[C@@H]2CCCO2)c1 ZINC000046130448 568429306 /nfs/dbraw/zinc/42/93/06/568429306.db2.gz RYYBMLIZCGXKGJ-SFHVURJKSA-N 0 0 405.420 4.391 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@@H]2CCCO2)cc1Cl ZINC000046131325 568429437 /nfs/dbraw/zinc/42/94/37/568429437.db2.gz LEBPNQMDLSTWJG-SFHVURJKSA-N 0 0 415.921 4.342 50 30 HIEARN COc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCC2 ZINC000000663990 568460359 /nfs/dbraw/zinc/46/03/59/568460359.db2.gz WBINCXVGNXFSTA-UHFFFAOYSA-N 0 0 407.417 4.200 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccccn3)c(=O)oc2c1C ZINC000012296917 568462607 /nfs/dbraw/zinc/46/26/07/568462607.db2.gz IRJYPWFRZKVSBM-UHFFFAOYSA-N 0 0 406.482 4.009 50 30 HIEARN N#Cc1cccc(-c2cccc3ccc(N4CCN(C(=O)c5ccco5)CC4)nc32)c1 ZINC000024895231 568479190 /nfs/dbraw/zinc/47/91/90/568479190.db2.gz ZIFWORHXWBGSRW-UHFFFAOYSA-N 0 0 408.461 4.329 50 30 HIEARN CC1(C)CC(=O)C=C(OC(=O)c2c3ccccn3c3c2C(=O)c2ccccc2C3=O)C1 ZINC000000810834 568491563 /nfs/dbraw/zinc/49/15/63/568491563.db2.gz KWHZAHRLTCQJOY-UHFFFAOYSA-N 0 0 413.429 4.145 50 30 HIEARN COc1ccc(-c2csc(NC(=O)CSc3nc4c(cc3C#N)CCC4)n2)cc1 ZINC000033317868 568513942 /nfs/dbraw/zinc/51/39/42/568513942.db2.gz CGZDBUPTMPIKNG-UHFFFAOYSA-N 0 0 422.535 4.305 50 30 HIEARN COc1cc(-c2cc(N=C(NCc3ccco3)SC)[nH]n2)cc(OC)c1OC ZINC000020440336 568607414 /nfs/dbraw/zinc/60/74/14/568607414.db2.gz GVPIHONOTIXLGB-UHFFFAOYSA-N 0 0 402.476 4.027 50 30 HIEARN N#Cc1c(N)sc2c1CCN(CC(=O)Nc1ccccc1Sc1ccccc1)C2 ZINC000095446658 568611951 /nfs/dbraw/zinc/61/19/51/568611951.db2.gz YJXOXWNLLKGZMT-UHFFFAOYSA-N 0 0 420.563 4.350 50 30 HIEARN CCCCc1nc(OCC(=O)Nc2cccc(OC)c2)c(C#N)c2c1COC(C)(C)C2 ZINC000095474132 568629175 /nfs/dbraw/zinc/62/91/75/568629175.db2.gz XGWWMBXYPCNJRH-UHFFFAOYSA-N 0 0 423.513 4.173 50 30 HIEARN N#Cc1cnn2c1N(C(=O)CCc1ccc(F)cc1)[C@@H](C1CC1)C[C@@H]2C(F)(F)F ZINC000020607957 568636119 /nfs/dbraw/zinc/63/61/19/568636119.db2.gz DMUQJKGFZQOSHR-IAGOWNOFSA-N 0 0 406.383 4.145 50 30 HIEARN N#Cc1c2c(c(-c3ccccc3)nc1N1CCN(C(=O)c3ccccc3)CC1)CCCC2 ZINC000020827475 568644352 /nfs/dbraw/zinc/64/43/52/568644352.db2.gz VKFKKVREXJDUAG-UHFFFAOYSA-N 0 0 422.532 4.461 50 30 HIEARN COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccccc2SCCC#N)CC1=O ZINC000095953581 568668166 /nfs/dbraw/zinc/66/81/66/568668166.db2.gz OOGNDVVYFHAUDF-MRXNPFEDSA-N 0 0 409.511 4.001 50 30 HIEARN N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021358892 568689761 /nfs/dbraw/zinc/68/97/61/568689761.db2.gz LUJCTUYXPDSAOD-UHFFFAOYSA-N 0 0 402.435 4.076 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccccc3F)C2)cc1 ZINC000012389374 568691263 /nfs/dbraw/zinc/69/12/63/568691263.db2.gz JSILQWHOQBESMV-RNODOKPDSA-N 0 0 406.417 4.197 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000012407373 568711948 /nfs/dbraw/zinc/71/19/48/568711948.db2.gz XFKLBKDCJYFOQF-YCRPNKLZSA-N 0 0 418.453 4.066 50 30 HIEARN C=CCn1c(SCc2ccccc2C(=O)N2CCCC2)nnc1-c1cccnc1 ZINC000096289910 568720251 /nfs/dbraw/zinc/72/02/51/568720251.db2.gz KWMOJLDIUWDHHV-UHFFFAOYSA-N 0 0 405.527 4.054 50 30 HIEARN CC(C)[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)N1C(=O)c2ccccc2C1=O ZINC000000947419 568752899 /nfs/dbraw/zinc/75/28/99/568752899.db2.gz CNJOSRYWLDLZFC-YJYMSZOUSA-N 0 0 421.522 4.004 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C2\[C@H](C)CC[C@]3(O)[C@H](C)CC[C@@H](C(C)C)[C@H]23)cc1 ZINC000253407266 568753994 /nfs/dbraw/zinc/75/39/94/568753994.db2.gz VUGGHMZYUWKQCY-KBECSNENSA-N 0 0 406.592 4.109 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C2\[C@H](C)CC[C@]3(O)[C@H](C)CC[C@H](C(C)C)[C@@H]23)cc1 ZINC000253407265 568754004 /nfs/dbraw/zinc/75/40/04/568754004.db2.gz VUGGHMZYUWKQCY-HUZFGZIFSA-N 0 0 406.592 4.109 50 30 HIEARN N#Cc1c(Cl)nsc1NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000052426907 568765821 /nfs/dbraw/zinc/76/58/21/568765821.db2.gz VXRPKFWWKWSXGV-UHFFFAOYSA-N 0 0 402.829 4.136 50 30 HIEARN Cc1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)c1 ZINC000001146800 568772574 /nfs/dbraw/zinc/77/25/74/568772574.db2.gz MXEUXHWEOXZQML-UHFFFAOYSA-N 0 0 423.567 4.333 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002495346 568776455 /nfs/dbraw/zinc/77/64/55/568776455.db2.gz AOYQZVRZKFNQRS-BEFAXECRSA-N 0 0 409.869 4.198 50 30 HIEARN Cc1ccc(-n2c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1 ZINC000002634047 568791448 /nfs/dbraw/zinc/79/14/48/568791448.db2.gz BLOKGUSJRMGKBP-QHCPKHFHSA-N 0 0 419.554 4.389 50 30 HIEARN N#CCCN(C(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 ZINC000002665100 568800199 /nfs/dbraw/zinc/80/01/99/568800199.db2.gz OYTYGXJWRJTRNX-UHFFFAOYSA-N 0 0 412.445 4.021 50 30 HIEARN CCCCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2cccc(OC)c2)S1 ZINC000002670986 568800546 /nfs/dbraw/zinc/80/05/46/568800546.db2.gz KBSOEXZZTLVCTA-VRMLFSPKSA-N 0 0 411.527 4.038 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccn(COc4ccccc4F)n3)sc2C1 ZINC000002797725 568809697 /nfs/dbraw/zinc/80/96/97/568809697.db2.gz KLRNUHNBQTXOKB-ZDUSSCGKSA-N 0 0 410.474 4.369 50 30 HIEARN CCCCCOc1ccc(/N=C2/c3ccccc3N(CN3CCOCC3)C2=O)cc1 ZINC000015188179 568818651 /nfs/dbraw/zinc/81/86/51/568818651.db2.gz ALZVPWYGTWJSLY-BZZOAKBMSA-N 0 0 407.514 4.013 50 30 HIEARN CC[C@H](C)[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C(=O)c2ccccc2C1=O ZINC000001196825 568822583 /nfs/dbraw/zinc/82/25/83/568822583.db2.gz JLKZSNDEWBYHLO-ORAYPTAESA-N 0 0 421.522 4.148 50 30 HIEARN N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)c1 ZINC000005938489 568830689 /nfs/dbraw/zinc/83/06/89/568830689.db2.gz JIAOUJFAPSZPSF-NRFANRHFSA-N 0 0 403.869 4.191 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C)cc1 ZINC000005988406 568834402 /nfs/dbraw/zinc/83/44/02/568834402.db2.gz SUVUKSVMLGSVJN-OAQYLSRUSA-N 0 0 409.482 4.007 50 30 HIEARN CC(C)CCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccsc2c1=O ZINC000057426067 568834996 /nfs/dbraw/zinc/83/49/96/568834996.db2.gz ADGPIUGLGNUNCB-UHFFFAOYSA-N 0 0 412.540 4.107 50 30 HIEARN CCCCCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003025290 568841246 /nfs/dbraw/zinc/84/12/46/568841246.db2.gz ALKHPSALXOLFBU-UHFFFAOYSA-N 0 0 406.523 4.004 50 30 HIEARN N#Cc1cccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c1 ZINC000057505672 568846630 /nfs/dbraw/zinc/84/66/30/568846630.db2.gz TZONQRRBDACIBG-UHFFFAOYSA-N 0 0 409.902 4.345 50 30 HIEARN Cc1ccc(OCc2ccc(C#N)cc2)c(C(=O)c2cc(C#N)c(=O)n(C3CC3)c2)c1 ZINC000003324462 568880917 /nfs/dbraw/zinc/88/09/17/568880917.db2.gz VKXADNPRVJJZHT-UHFFFAOYSA-N 0 0 409.445 4.045 50 30 HIEARN N#Cc1ccc(NC(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000078564782 568885651 /nfs/dbraw/zinc/88/56/51/568885651.db2.gz PGEYFHXCHILILR-AWEZNQCLSA-N 0 0 414.391 4.031 50 30 HIEARN C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2ccc(Cl)cc2c1=O ZINC000003370017 568889644 /nfs/dbraw/zinc/88/96/44/568889644.db2.gz BYOKAFNXPHZGQW-UHFFFAOYSA-N 0 0 400.887 4.315 50 30 HIEARN C=CCn1c(SCc2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccccc1 ZINC000058152126 568892931 /nfs/dbraw/zinc/89/29/31/568892931.db2.gz ZRNIEHPAGNOGCS-UHFFFAOYSA-N 0 0 409.540 4.338 50 30 HIEARN C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000003592511 568918122 /nfs/dbraw/zinc/91/81/22/568918122.db2.gz DRLUYBMHXNXYOD-GJZGRUSLSA-N 0 0 404.967 4.381 50 30 HIEARN COc1cccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000004171295 568921502 /nfs/dbraw/zinc/92/15/02/568921502.db2.gz VDMDBLGRFQCHFD-GOSISDBHSA-N 0 0 416.271 4.255 50 30 HIEARN C=CCn1c2ccccc2c2nnc(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])nc21 ZINC000001428237 568939514 /nfs/dbraw/zinc/93/95/14/568939514.db2.gz WNWZJHJLBQVNFM-UHFFFAOYSA-N 0 0 405.439 4.428 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000004119623 568944454 /nfs/dbraw/zinc/94/44/54/568944454.db2.gz YOVHEWKELBMXQL-NFBKMPQASA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000084357909 568947312 /nfs/dbraw/zinc/94/73/12/568947312.db2.gz PZWJDKZQASFYBM-QGZVFWFLSA-N 0 0 404.301 4.219 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2ccc(O)cc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000004170985 568948287 /nfs/dbraw/zinc/94/82/87/568948287.db2.gz SUMNRIOHKCTGNC-QFIPXVFZSA-N 0 0 417.436 4.352 50 30 HIEARN C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc([C@@H](C)c2ccccc2)n1 ZINC000004949111 568952163 /nfs/dbraw/zinc/95/21/63/568952163.db2.gz XAAYPQPXZNITKH-JTQLQIEISA-N 0 0 406.330 4.493 50 30 HIEARN Cc1cc(SCC(=O)OCC(=O)N(CCC#N)c2ccccc2)nc2ccccc12 ZINC000004297470 568959898 /nfs/dbraw/zinc/95/98/98/568959898.db2.gz YMGBDGFQBHGTNB-UHFFFAOYSA-N 0 0 419.506 4.125 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000004311225 568960849 /nfs/dbraw/zinc/96/08/49/568960849.db2.gz VLIYBGURZLQGJA-NRFANRHFSA-N 0 0 402.425 4.308 50 30 HIEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1ccc3[nH]c4c(c3c1)CCCC4)CCC2 ZINC000007982032 568963835 /nfs/dbraw/zinc/96/38/35/568963835.db2.gz KHKGTQWSZIORQW-UHFFFAOYSA-N 0 0 419.506 4.264 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1OC ZINC000005478574 568965304 /nfs/dbraw/zinc/96/53/04/568965304.db2.gz JYHFEHCNEXZHER-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 ZINC000009463699 568986570 /nfs/dbraw/zinc/98/65/70/568986570.db2.gz AWYQYZBEZPQUQV-UHFFFAOYSA-N 0 0 419.432 4.276 50 30 HIEARN C=CCOc1cccc(C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)c1 ZINC000012160016 568993608 /nfs/dbraw/zinc/99/36/08/568993608.db2.gz LPBAEUYTMRXCBJ-LJQANCHMSA-N 0 0 421.884 4.095 50 30 HIEARN C=CCOc1cccc(C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)c1 ZINC000012160012 568993707 /nfs/dbraw/zinc/99/37/07/568993707.db2.gz LPBAEUYTMRXCBJ-IBGZPJMESA-N 0 0 421.884 4.095 50 30 HIEARN O=C(C#Cc1ccccc1)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012314265 568994561 /nfs/dbraw/zinc/99/45/61/568994561.db2.gz XXIHEUVEHWRUGP-HSZRJFAPSA-N 0 0 422.528 4.374 50 30 HIEARN C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl ZINC000012342708 568994575 /nfs/dbraw/zinc/99/45/75/568994575.db2.gz BZXGYHLAFZYWDV-LICLKQGHSA-N 0 0 419.239 4.237 50 30 HIEARN C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 ZINC000012343772 568994661 /nfs/dbraw/zinc/99/46/61/568994661.db2.gz MKVMRDISVLAERA-SFQUDFHCSA-N 0 0 419.706 4.176 50 30 HIEARN C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000012799923 568996261 /nfs/dbraw/zinc/99/62/61/568996261.db2.gz IITUARXNGRPMTQ-UHFFFAOYSA-N 0 0 406.935 4.203 50 30 HIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC000014197909 569002072 /nfs/dbraw/zinc/00/20/72/569002072.db2.gz JJCBKXYYEITYBZ-UHFFFAOYSA-N 0 0 417.893 4.223 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2sc(CC)cc2c1=O ZINC000000909627 569006183 /nfs/dbraw/zinc/00/61/83/569006183.db2.gz KLCYGANLLHXMOC-UHFFFAOYSA-N 0 0 403.504 4.076 50 30 HIEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccc(OC)c1 ZINC000002447322 569007396 /nfs/dbraw/zinc/00/73/96/569007396.db2.gz PFMQZRQRSVMALN-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN COc1cccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000001009941 569009542 /nfs/dbraw/zinc/00/95/42/569009542.db2.gz ZQKMCRJYZKHNBE-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)c1 ZINC000006134343 569014209 /nfs/dbraw/zinc/01/42/09/569014209.db2.gz SYZPAHNAZRRPKG-FQEVSTJZSA-N 0 0 420.490 4.320 50 30 HIEARN CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000015859783 569015418 /nfs/dbraw/zinc/01/54/18/569015418.db2.gz OUJRUTLHUPPAQE-UHFFFAOYSA-N 0 0 405.502 4.203 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000006158411 569015524 /nfs/dbraw/zinc/01/55/24/569015524.db2.gz RUPKWNUFGNEYGW-UHFFFAOYSA-N 0 0 406.457 4.276 50 30 HIEARN COc1cc(/C=N/c2ccc3c(c2)nc(CO)n3C)ccc1OCc1ccccc1 ZINC000006161109 569015919 /nfs/dbraw/zinc/01/59/19/569015919.db2.gz QTWVOWYXUABRIA-AFUMVMLFSA-N 0 0 401.466 4.404 50 30 HIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(OC)cc3OC)c2)c1 ZINC000012889359 569019863 /nfs/dbraw/zinc/01/98/63/569019863.db2.gz RQALPANTPBYQCE-UHFFFAOYSA-N 0 0 415.445 4.143 50 30 HIEARN C=CCN1C(=O)[C@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 ZINC000016041461 569028180 /nfs/dbraw/zinc/02/81/80/569028180.db2.gz HCKWLIFVKPDIEV-FGJSELGCSA-N 0 0 402.494 4.332 50 30 HIEARN CCOC(=NC(=O)c1ccc(C(F)(F)F)cc1)NCCc1ccc(OC)c(OC)c1 ZINC000016531108 569058451 /nfs/dbraw/zinc/05/84/51/569058451.db2.gz ZPJPLHTYGPADPW-UHFFFAOYSA-N 0 0 424.419 4.088 50 30 HIEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000006499319 569061439 /nfs/dbraw/zinc/06/14/39/569061439.db2.gz WZWZTOFQORFDPZ-OAQYLSRUSA-N 0 0 419.433 4.075 50 30 HIEARN CCOC(=O)c1sc(NC(=O)CCCOc2ccccc2OCC)c(C#N)c1C ZINC000006578718 569066965 /nfs/dbraw/zinc/06/69/65/569066965.db2.gz GREIAZHHYGNWTG-UHFFFAOYSA-N 0 0 416.499 4.301 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)OC)nc2sc(-c3ccccc3)c(C)c2c1=O ZINC000006582995 569068009 /nfs/dbraw/zinc/06/80/09/569068009.db2.gz KUIYVZDFNNSHHE-CYBMUJFWSA-N 0 0 400.525 4.273 50 30 HIEARN N#CCCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 ZINC000006612141 569074281 /nfs/dbraw/zinc/07/42/81/569074281.db2.gz ONUAWIYDSGVOFK-UHFFFAOYSA-N 0 0 412.445 4.414 50 30 HIEARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1cccc(C#N)c1 ZINC000036167232 569103041 /nfs/dbraw/zinc/10/30/41/569103041.db2.gz BTGYNZOQRZNAJN-XMMPIXPASA-N 0 0 419.550 4.188 50 30 HIEARN CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)cc1 ZINC000006732526 569103608 /nfs/dbraw/zinc/10/36/08/569103608.db2.gz XHKYHDJCSPHWTH-NRFANRHFSA-N 0 0 403.461 4.172 50 30 HIEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000006780870 569120376 /nfs/dbraw/zinc/12/03/76/569120376.db2.gz PJZSVXZNAJOBPT-OAQYLSRUSA-N 0 0 416.433 4.018 50 30 HIEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000006780871 569120433 /nfs/dbraw/zinc/12/04/33/569120433.db2.gz PJZSVXZNAJOBPT-NRFANRHFSA-N 0 0 416.433 4.018 50 30 HIEARN Cc1c(-c2ccccc2)oc2c(-c3nc(C#N)c(N4CCOCC4)o3)cccc2c1=O ZINC000036364902 569152026 /nfs/dbraw/zinc/15/20/26/569152026.db2.gz ZWJVUSQUFMFBQD-UHFFFAOYSA-N 0 0 413.433 4.132 50 30 HIEARN C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccncc1 ZINC000007087092 569217507 /nfs/dbraw/zinc/21/75/07/569217507.db2.gz OBBLANPENZJVTE-UHFFFAOYSA-N 0 0 404.499 4.431 50 30 HIEARN C[C@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000065453254 569230397 /nfs/dbraw/zinc/23/03/97/569230397.db2.gz WXAKCWFITUWEFR-MRXNPFEDSA-N 0 0 405.527 4.060 50 30 HIEARN Cc1ccc(S(=O)(=O)NN=C2[C@H](C)CC[C@]3(O)[C@H](C)CC[C@H](C(C)C)[C@@H]23)cc1 ZINC000252516658 569292281 /nfs/dbraw/zinc/29/22/81/569292281.db2.gz VUGGHMZYUWKQCY-CYVQNBIGSA-N 0 0 406.592 4.109 50 30 HIEARN C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)c1=O ZINC000002194283 569294002 /nfs/dbraw/zinc/29/40/02/569294002.db2.gz YKEVHRHGMOFMMS-UHFFFAOYSA-N 0 0 415.884 4.491 50 30 HIEARN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccccc2C#N)o1 ZINC000007605514 569295151 /nfs/dbraw/zinc/29/51/51/569295151.db2.gz YHHWGPHXQHNNKX-UHFFFAOYSA-N 0 0 414.874 4.213 50 30 HIEARN COc1ccc(N=C2S/C(=C/c3cc(Br)ccc3O)C(=O)N2C)cc1 ZINC000252598891 569296680 /nfs/dbraw/zinc/29/66/80/569296680.db2.gz DEBSUTWVPDQIKN-MSWOZKQMSA-N 0 0 419.300 4.397 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3ccccc3OCC)C(=O)N2C)cc1 ZINC000252601487 569297010 /nfs/dbraw/zinc/29/70/10/569297010.db2.gz FBFXIXNNVFHJEV-VUARGGTQSA-N 0 0 410.495 4.496 50 30 HIEARN Cc1nnc(N=C(n2cnnc2)N2N=C(C)S[C@H]2c2cccc3ccccc32)s1 ZINC000252609505 569298174 /nfs/dbraw/zinc/29/81/74/569298174.db2.gz HTMMAZQUERQUQU-KRWDZBQOSA-N 0 0 420.527 4.208 50 30 HIEARN O=C1NC(=NN=Cc2ccc3c(c2)OCO3)S/C1=C\c1ccc(Cl)cc1Cl ZINC000252614931 569301250 /nfs/dbraw/zinc/30/12/50/569301250.db2.gz JNLRWBKBSKUWHH-UAHYCYGBSA-N 0 0 420.277 4.316 50 30 HIEARN Cc1n[nH]c(C)c1Sc1ccccc1N=C1c2cc([N+](=O)[O-])cc(C)c2N(C)C1=O ZINC000252621377 569307713 /nfs/dbraw/zinc/30/77/13/569307713.db2.gz MXDJVRKLBWPWAD-UHFFFAOYSA-N 0 0 421.482 4.492 50 30 HIEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3cccc(F)c3)S2)cc1 ZINC000252627062 569310864 /nfs/dbraw/zinc/31/08/64/569310864.db2.gz RLCAPVHOLGBQQZ-GOSISDBHSA-N 0 0 415.490 4.205 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000007792332 569310990 /nfs/dbraw/zinc/31/09/90/569310990.db2.gz ARLXXABVIOBBKH-JOCHJYFZSA-N 0 0 414.889 4.130 50 30 HIEARN CCC(Cl)=NOC(=O)N(C)c1ccc([C@@](Cl)(C(=O)OC)C(F)(F)F)cc1 ZINC000252629838 569311666 /nfs/dbraw/zinc/31/16/66/569311666.db2.gz UOPSZVFZOUGCJU-CQSZACIVSA-N 0 0 415.195 4.391 50 30 HIEARN N#CCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000007854676 569314731 /nfs/dbraw/zinc/31/47/31/569314731.db2.gz CYWYNVSVAUTCBQ-UHFFFAOYSA-N 0 0 402.841 4.480 50 30 HIEARN CCCCCCCN1c2ccccc2C(=c2sc3nc4ccccc4n3c2=O)C1=O ZINC000252666781 569319018 /nfs/dbraw/zinc/31/90/18/569319018.db2.gz CFVQWMIWFMBSSJ-UHFFFAOYSA-N 0 0 417.534 4.144 50 30 HIEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1OC ZINC000253413701 569366867 /nfs/dbraw/zinc/36/68/67/569366867.db2.gz VMEIMXFVXLAXGI-IWEBCOIVSA-N 0 0 418.401 4.354 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)cc1 ZINC000002329363 569375633 /nfs/dbraw/zinc/37/56/33/569375633.db2.gz MZMQTILLIMZVRO-MTJSOVHGSA-N 0 0 418.376 4.448 50 30 HIEARN C#CCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc32)cc1 ZINC000002363808 569387408 /nfs/dbraw/zinc/38/74/08/569387408.db2.gz PCMMQUICIUBJSY-UHFFFAOYSA-N 0 0 424.460 4.160 50 30 HIEARN Cc1ccc(S(=O)(=O)/N=C(/NC(=S)Nc2cccc(C)c2)c2ccccc2)cc1 ZINC000008670846 569390000 /nfs/dbraw/zinc/39/00/00/569390000.db2.gz ODQYVFLWNBEQBS-UHFFFAOYSA-N 0 0 423.563 4.426 50 30 HIEARN N#Cc1ncc(C(F)(F)F)cc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1 ZINC000008857394 569390598 /nfs/dbraw/zinc/39/05/98/569390598.db2.gz NFYVUCHZGJCIMQ-UHFFFAOYSA-N 0 0 419.366 4.451 50 30 HIEARN Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(C)cc3)N3CCOCC3)o2)cc1 ZINC000027793530 569395302 /nfs/dbraw/zinc/39/53/02/569395302.db2.gz HUYFCBPFQWIFDW-QFIPXVFZSA-N 0 0 402.498 4.316 50 30 HIEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2cccc(Cl)c2)c1=O ZINC000002429144 569398868 /nfs/dbraw/zinc/39/88/68/569398868.db2.gz LVXYAIQLHSQSBJ-BRJLIKDPSA-N 0 0 414.856 4.016 50 30 HIEARN CCCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CCCC1=N2 ZINC000020091567 569404206 /nfs/dbraw/zinc/40/42/06/569404206.db2.gz LGHNMZNBWASIGR-SFHVURJKSA-N 0 0 413.503 4.491 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)cc1 ZINC000012869886 569404314 /nfs/dbraw/zinc/40/43/14/569404314.db2.gz TXQUXUDBAIUNMA-BKUYFWCQSA-N 0 0 400.386 4.309 50 30 HIEARN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000328596593 569416132 /nfs/dbraw/zinc/41/61/32/569416132.db2.gz GOFGLOVIFQXHEL-HNNXBMFYSA-N 0 0 418.501 4.281 50 30 HIEARN CCc1cc(N(C)Cc2nc(-c3cccnc3)no2)n2c3ccccc3nc2c1C#N ZINC000079017550 569424017 /nfs/dbraw/zinc/42/40/17/569424017.db2.gz OIBIYNYFHBVLFA-UHFFFAOYSA-N 0 0 409.453 4.003 50 30 HIEARN C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)c2cc(C(F)(F)F)ccc2S1 ZINC000079019968 569424220 /nfs/dbraw/zinc/42/42/20/569424220.db2.gz ILRMLOJMIMXRCJ-CQSZACIVSA-N 0 0 410.465 4.052 50 30 HIEARN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COc1cc(Cl)ccc1Cl ZINC000012752070 571044459 /nfs/dbraw/zinc/04/44/59/571044459.db2.gz ASCMOLJHPQAWPI-UHFFFAOYSA-N 0 0 410.301 4.337 50 30 HIEARN COc1ccccc1/C=C/c1nc(C#N)c(NCCc2ccc(OC)c(OC)c2)o1 ZINC000008495868 571061711 /nfs/dbraw/zinc/06/17/11/571061711.db2.gz SQCGOWDKFZIEDV-PKNBQFBNSA-N 0 0 405.454 4.397 50 30 HIEARN CC1(C)CC(=O)C=C(NC[C@@H]2c3ccccc3CCN2C(=S)NC2CCCC2)C1 ZINC000008717074 571105405 /nfs/dbraw/zinc/10/54/05/571105405.db2.gz GLMDWTVKRSKELQ-JOCHJYFZSA-N 0 0 411.615 4.266 50 30 HIEARN Cc1nc(SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C#N)c(C)c1Cl ZINC000008857072 571128246 /nfs/dbraw/zinc/12/82/46/571128246.db2.gz HPUNHTPUTADZRO-UHFFFAOYSA-N 0 0 418.822 4.209 50 30 HIEARN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000040087163 571157653 /nfs/dbraw/zinc/15/76/53/571157653.db2.gz BUGLTRJXLJTPBY-UHFFFAOYSA-N 0 0 419.872 4.088 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000040139164 571189215 /nfs/dbraw/zinc/18/92/15/571189215.db2.gz ATZPJICSWXGOMJ-GOSISDBHSA-N 0 0 404.495 4.337 50 30 HIEARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc(C#N)c1 ZINC000040143485 571193849 /nfs/dbraw/zinc/19/38/49/571193849.db2.gz JOGCMQYRHSVGEW-UHFFFAOYSA-N 0 0 424.254 4.443 50 30 HIEARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2C#N)Cc2ccccc2C#N)c(C)c1 ZINC000009114379 571223802 /nfs/dbraw/zinc/22/38/02/571223802.db2.gz LPHMWRBITXMDRZ-UHFFFAOYSA-N 0 0 415.518 4.438 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1ccccc1 ZINC000009128519 571227053 /nfs/dbraw/zinc/22/70/53/571227053.db2.gz LZAAACDPBIGICI-HNNXBMFYSA-N 0 0 424.526 4.226 50 30 HIEARN C=CCN1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000009166897 571232990 /nfs/dbraw/zinc/23/29/90/571232990.db2.gz REVOZFXCNCCIML-UHFFFAOYSA-N 0 0 420.918 4.078 50 30 HIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O)N1CCOCC1 ZINC000009192007 571235586 /nfs/dbraw/zinc/23/55/86/571235586.db2.gz WIKZRYXYPNDXHX-NVMNQCDNSA-N 0 0 420.248 4.441 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1OC ZINC000009204937 571236474 /nfs/dbraw/zinc/23/64/74/571236474.db2.gz FGQZLEVKRNEQQI-OAHLLOKOSA-N 0 0 424.526 4.268 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1OC ZINC000009204930 571236568 /nfs/dbraw/zinc/23/65/68/571236568.db2.gz FGQZLEVKRNEQQI-HNNXBMFYSA-N 0 0 424.526 4.268 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1C ZINC000009303786 571246260 /nfs/dbraw/zinc/24/62/60/571246260.db2.gz PFXYFMWKZBLNSE-HNNXBMFYSA-N 0 0 422.510 4.288 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009331424 571248716 /nfs/dbraw/zinc/24/87/16/571248716.db2.gz FFSZPNLDPXEIIJ-FQEVSTJZSA-N 0 0 416.389 4.083 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000009433795 571258568 /nfs/dbraw/zinc/25/85/68/571258568.db2.gz QHQYVHJQEQMMBW-HXUWFJFHSA-N 0 0 418.405 4.275 50 30 HIEARN N#Cc1cccc(S(=O)(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000009499692 571263336 /nfs/dbraw/zinc/26/33/36/571263336.db2.gz AKQOCAZVFOVIEV-UHFFFAOYSA-N 0 0 417.284 4.059 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nc(C3CC3)n(-c3ccccc3)n1)CCC2 ZINC000009669462 571278424 /nfs/dbraw/zinc/27/84/24/571278424.db2.gz LIAXDXNUIODMHG-UHFFFAOYSA-N 0 0 421.551 4.297 50 30 HIEARN C=CCNc1nc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cs1 ZINC000010133089 571295489 /nfs/dbraw/zinc/29/54/89/571295489.db2.gz FOKFQOKPMNTXHQ-GOSISDBHSA-N 0 0 411.458 4.417 50 30 HIEARN Cc1cc(=O)oc2c(/C=N/c3ccc(I)cc3)c([O-])ccc12 ZINC000000726801 845001139 /nfs/dbraw/zinc/00/11/39/845001139.db2.gz BOABQVLYEXFVRT-DJKKODMXSA-N 0 0 405.191 4.162 50 30 HIEARN CCCOC(=NC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc2c(c1)OCO2 ZINC000004408292 845057209 /nfs/dbraw/zinc/05/72/09/845057209.db2.gz ZKNQZZTUWYFNDP-UHFFFAOYSA-N 0 0 408.376 4.147 50 30 HIEARN COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004957008 845075087 /nfs/dbraw/zinc/07/50/87/845075087.db2.gz LOIFDSPLQVMMMU-HDURRZNMSA-N 0 0 405.454 4.420 50 30 HIEARN CSC(=NS(=O)(=O)c1ccc(C)cc1)NCc1ccc(Cl)cc1Cl ZINC000006590178 845211468 /nfs/dbraw/zinc/21/14/68/845211468.db2.gz CNXZOORTYAMHHS-UHFFFAOYSA-N 0 0 403.356 4.499 50 30 HIEARN COc1cc(/C=C2\CCOc3ccc(Br)cc3C2=O)cc(OC)c1O ZINC000012905559 845897300 /nfs/dbraw/zinc/89/73/00/845897300.db2.gz ZSAAAEUJXLVSTN-KPKJPENVSA-N 0 0 405.244 4.221 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1 ZINC000014361381 845940821 /nfs/dbraw/zinc/94/08/21/845940821.db2.gz AOMIRFKOCBGDCC-MDWZMJQESA-N 0 0 422.344 4.376 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)/C=C\c2cccc(C(F)(F)F)c2)sc2c1CCC2 ZINC000033736374 848139167 /nfs/dbraw/zinc/13/91/67/848139167.db2.gz UVWCMLJKFVETHX-FPLPWBNLSA-N 0 0 420.412 4.322 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033717146 848139208 /nfs/dbraw/zinc/13/92/08/848139208.db2.gz VTNSWHYSCHZPID-JXQAYSGNSA-N 0 0 406.438 4.032 50 30 HIEARN Fc1c(F)c(F)c(-c2c(F)c(F)c(N3CCOCC3)c(F)c2F)c(F)c1F ZINC000059826551 851015970 /nfs/dbraw/zinc/01/59/70/851015970.db2.gz ZHGMCKHFEFHYKL-UHFFFAOYSA-N 0 0 401.228 4.442 50 30 HIEARN CCOc1cc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc(Br)c1OC ZINC000097993512 852647893 /nfs/dbraw/zinc/64/78/93/852647893.db2.gz ABFGVGOHIXOLOP-ALCCZGGFSA-N 0 0 407.260 4.467 50 30 HIEARN COc1cc(C=CC(=O)OCC(=O)c2cccc3ccccc32)ccc1OCC#N ZINC000104318972 852670470 /nfs/dbraw/zinc/67/04/70/852670470.db2.gz IDJVXIDURSUPNL-BENRWUELSA-N 0 0 401.418 4.190 50 30 HIEARN CC(C)(C)c1ccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000254289623 854209496 /nfs/dbraw/zinc/20/94/96/854209496.db2.gz MAGQUSVVONSLMT-QFIPXVFZSA-N 0 0 415.440 4.387 50 30 HIEARN Cc1cccc(C)c1N=C1SCCCN1C(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000254349879 854210457 /nfs/dbraw/zinc/21/04/57/854210457.db2.gz GVTAVIWOSQZQLJ-UHFFFAOYSA-N 0 0 421.522 4.224 50 30 HIEARN CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC)cc1 ZINC000254478816 854211863 /nfs/dbraw/zinc/21/18/63/854211863.db2.gz IDJOPHJFOAAFGP-BEFAXECRSA-N 0 0 411.527 4.454 50 30 HIEARN CC[C@H](ON=Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)Nc1cc(C)on1 ZINC000254570282 854212379 /nfs/dbraw/zinc/21/23/79/854212379.db2.gz FEZRQOAXYWRIAN-IBGZPJMESA-N 0 0 423.469 4.338 50 30 HIEARN Cc1ccccc1N1C(=O)N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O ZINC000007615813 132325132 /nfs/dbraw/zinc/32/51/32/132325132.db2.gz HEKLCDPEUWLSNI-UHFFFAOYSA-N 0 0 403.463 4.202 50 30 HIEARN C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000024635136 132484273 /nfs/dbraw/zinc/48/42/73/132484273.db2.gz WVORYDIJSJUXSF-CQSZACIVSA-N 0 0 402.420 4.066 50 30 HIEARN Brc1cc(CN=Nc2nncc(-c3ccccc3)n2)oc1Br ZINC000015015562 518205706 /nfs/dbraw/zinc/20/57/06/518205706.db2.gz GLAZHBLDPMBCRJ-REZTVBANSA-N 0 0 423.068 4.103 50 30 HIEARN CC(=O)NCCN(C(=O)C=Cc1ccccc1C)c1ccc(Br)cn1 ZINC000328589894 518476690 /nfs/dbraw/zinc/47/66/90/518476690.db2.gz NLWZXSWUKXGFQG-JXMROGBWSA-N 0 0 402.292 4.175 50 30 HIEARN CC(C)(C)C(=O)/C=C(/CSc1nnc(-c2cccs2)n1CC(N)=O)C(C)(C)C ZINC000058169367 518549657 /nfs/dbraw/zinc/54/96/57/518549657.db2.gz DPTKDXCWJIKGEA-RAXLEYEMSA-N 0 0 420.604 4.172 50 30 HIEARN C=CCN(C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C(=O)OCC)cs1 ZINC000048310128 518727732 /nfs/dbraw/zinc/72/77/32/518727732.db2.gz XWZFZZSUVBKYCX-SOFGYWHQSA-N 0 0 421.862 4.114 50 30 HIEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)C(C)C ZINC000036044883 518758774 /nfs/dbraw/zinc/75/87/74/518758774.db2.gz MPUGEZHHEUFHDA-UHFFFAOYSA-N 0 0 420.488 4.288 50 30 HIEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)C1CC1 ZINC000036044889 518759240 /nfs/dbraw/zinc/75/92/40/518759240.db2.gz IHDKGDWERKOCQZ-UHFFFAOYSA-N 0 0 418.472 4.042 50 30 HIEARN C=CCN(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)CC(C)C ZINC000036115006 518795142 /nfs/dbraw/zinc/79/51/42/518795142.db2.gz AQQKMMMRXPLXOB-UHFFFAOYSA-N 0 0 404.532 4.300 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1occc1Br ZINC000012655133 518796107 /nfs/dbraw/zinc/79/61/07/518796107.db2.gz BAXFRWNDGQAUOD-UHFFFAOYSA-N 0 0 402.248 4.229 50 30 HIEARN C=CCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000001441978 518836942 /nfs/dbraw/zinc/83/69/42/518836942.db2.gz VICIWGFWSLGFNN-KRWDZBQOSA-N 0 0 418.280 4.345 50 30 HIEARN C=CCN1c2ccc(NC(=O)Cc3ccc(OCC)cc3)cc2OCC(C)(C)C1=O ZINC000008958752 518875461 /nfs/dbraw/zinc/87/54/61/518875461.db2.gz AUIAVFRPCQJCIG-UHFFFAOYSA-N 0 0 408.498 4.204 50 30 HIEARN C=CCNC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000034737324 518910985 /nfs/dbraw/zinc/91/09/85/518910985.db2.gz FRWOTYLRDJJECV-UHFFFAOYSA-N 0 0 414.456 4.413 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c(OC)c1 ZINC000031537599 519135653 /nfs/dbraw/zinc/13/56/53/519135653.db2.gz UVONSPLEABBZAL-UHFFFAOYSA-N 0 0 423.494 4.150 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(OC)c1 ZINC000039994030 519135799 /nfs/dbraw/zinc/13/57/99/519135799.db2.gz SXJADAYFDZZVBF-UHFFFAOYSA-N 0 0 403.482 4.116 50 30 HIEARN C=CCc1ccc(OCCOc2ccccc2C=C2SC(=O)NC2=O)c(OC)c1 ZINC000015800588 519139477 /nfs/dbraw/zinc/13/94/77/519139477.db2.gz FSDFMAAANSLIOK-ZHZULCJRSA-N 0 0 411.479 4.205 50 30 HIEARN C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCCC[C@@H]3C)nc2c1=O ZINC000072462531 519149608 /nfs/dbraw/zinc/14/96/08/519149608.db2.gz GKEDEBTWWSAZSK-HNNXBMFYSA-N 0 0 410.905 4.017 50 30 HIEARN C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nc(C)cs1 ZINC000044085699 519149841 /nfs/dbraw/zinc/14/98/41/519149841.db2.gz OLZAMVPHFRCQHW-UHFFFAOYSA-N 0 0 400.529 4.240 50 30 HIEARN C=CCn1c(=O)c2c(ncn2[C@H](C)c2ccccc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034693833 519158919 /nfs/dbraw/zinc/15/89/19/519158919.db2.gz QJOYVCMSNDNVGF-GOSISDBHSA-N 0 0 414.509 4.268 50 30 HIEARN C=CCn1c(SCC(=O)N2C[C@H](C)C[C@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000013057647 519204830 /nfs/dbraw/zinc/20/48/30/519204830.db2.gz DRLUYBMHXNXYOD-GASCZTMLSA-N 0 0 404.967 4.381 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H](C)c2cccc(Cl)c2)nc2ccccc2c1=O ZINC000009996169 519209760 /nfs/dbraw/zinc/20/97/60/519209760.db2.gz GYNMVFNVNSQKPV-CQSZACIVSA-N 0 0 413.930 4.205 50 30 HIEARN C=CCn1c(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)nnc1-c1ccco1 ZINC000026118303 519234854 /nfs/dbraw/zinc/23/48/54/519234854.db2.gz WSCVFRVMKOKWAN-OAHLLOKOSA-N 0 0 422.539 4.422 50 30 HIEARN C=CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1OC ZINC000040127432 519235243 /nfs/dbraw/zinc/23/52/43/519235243.db2.gz PNFXYRSGJLBWPG-UHFFFAOYSA-N 0 0 412.471 4.219 50 30 HIEARN CCCNC(=O)CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021722525 519868504 /nfs/dbraw/zinc/86/85/04/519868504.db2.gz CPODYEVDAJITGO-XMMPIXPASA-N 0 0 421.497 4.093 50 30 HIEARN CCCCCOc1ccc(-c2n[nH]c(=O)cc2NN=Cc2ccc(O)c(OC)c2)cc1 ZINC000043191058 520248668 /nfs/dbraw/zinc/24/86/68/520248668.db2.gz AKUXCVCZXAHPRP-BUVRLJJBSA-N 0 0 422.485 4.166 50 30 HIEARN CC1(C)CC(=O)C(C(c2cccc([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100032050 520253988 /nfs/dbraw/zinc/25/39/88/520253988.db2.gz CFBWCJXUJAXVIT-IBGZPJMESA-N 0 0 413.470 4.454 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(O)cc2OC)C1=O ZINC000036258123 520533795 /nfs/dbraw/zinc/53/37/95/520533795.db2.gz ZEZDAISTLRLCRX-WOJGMQOQSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2ccc(OC)c(O)c2)C1=O ZINC000036258270 520537938 /nfs/dbraw/zinc/53/79/38/520537938.db2.gz WDAXCDIOIBYDMQ-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000006783981 520782943 /nfs/dbraw/zinc/78/29/43/520782943.db2.gz YGDUUESRRUBUGH-NRFANRHFSA-N 0 0 419.433 4.162 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019775029 520823197 /nfs/dbraw/zinc/82/31/97/520823197.db2.gz RFXYBDUOLFJPRS-QHCPKHFHSA-N 0 0 416.521 4.472 50 30 HIEARN CCN(CC)c1ccc(/C=C2/S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 ZINC000014921211 520879288 /nfs/dbraw/zinc/87/92/88/520879288.db2.gz QFEVRRWTBGDKIH-QTLAEQSKSA-N 0 0 423.498 4.035 50 30 HIEARN CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@@H](C)C/C2=N\OC ZINC000033570960 520904057 /nfs/dbraw/zinc/90/40/57/520904057.db2.gz CXZJGLZFAKAXPG-PSNMVERHSA-N 0 0 424.419 4.414 50 30 HIEARN CCC[C@H](C)Nc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032829259 521062751 /nfs/dbraw/zinc/06/27/51/521062751.db2.gz FGYVZIDPHMFQSJ-IFXJQAMLSA-N 0 0 412.490 4.408 50 30 HIEARN CCCCn1nc(C(=O)N(CC)[C@@H](C)c2ccc(C#N)cc2)c2ccccc2c1=O ZINC000032800868 521394201 /nfs/dbraw/zinc/39/42/01/521394201.db2.gz XCNHUVIPJMCXMK-KRWDZBQOSA-N 0 0 402.498 4.292 50 30 HIEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011021901 521635914 /nfs/dbraw/zinc/63/59/14/521635914.db2.gz VIROEZJDSWWLLF-SFHVURJKSA-N 0 0 410.465 4.366 50 30 HIEARN COc1c2c(cc3c1C(C(=O)c1c(C)[nH]c4ccc(F)cc41)=CN(C)CC3)OCO2 ZINC000049543426 521884741 /nfs/dbraw/zinc/88/47/41/521884741.db2.gz HKBCYUKYPWULNB-UHFFFAOYSA-N 0 0 408.429 4.064 50 30 HIEARN COc1cc(C(=O)/C(=C/c2ccccn2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000049551951 522049634 /nfs/dbraw/zinc/04/96/34/522049634.db2.gz VWPPJOPXAOODMQ-VKAVYKQESA-N 0 0 415.449 4.407 50 30 HIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)c1 ZINC000022828734 522192279 /nfs/dbraw/zinc/19/22/79/522192279.db2.gz FWRHKAWWBYNLBK-UHFFFAOYSA-N 0 0 414.417 4.342 50 30 HIEARN COc1ccc(C(=O)C2=CN(c3ccccc3)c3ccccc3S2(=O)=O)cc1OC ZINC000032984467 523572392 /nfs/dbraw/zinc/57/23/92/523572392.db2.gz OGXUIFBFWCXHGX-UHFFFAOYSA-N 0 0 421.474 4.354 50 30 HIEARN CN(C(=O)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F)c1ccccc1 ZINC000013144325 523771435 /nfs/dbraw/zinc/77/14/35/523771435.db2.gz NBFUTRHFZTUZSC-VULFUBBASA-N 0 0 417.309 4.268 50 30 HIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000021721923 524073768 /nfs/dbraw/zinc/07/37/68/524073768.db2.gz KTFZFXYQJPDIHO-HSZRJFAPSA-N 0 0 407.489 4.188 50 30 HIEARN Cc1cccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)c1 ZINC000020558854 524530328 /nfs/dbraw/zinc/53/03/28/524530328.db2.gz TUTVMNJQFJVNEF-PXLXIMEGSA-N 0 0 404.491 4.481 50 30 HIEARN COc1ccc(OC)c(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000036066013 524800089 /nfs/dbraw/zinc/80/00/89/524800089.db2.gz DAVAYDQMGPVISK-OOXYOOLHSA-N 0 0 409.482 4.258 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000016995156 525233420 /nfs/dbraw/zinc/23/34/20/525233420.db2.gz XVXKRKVTOPHLQJ-BTYIYWSLSA-N 0 0 406.873 4.356 50 30 HIEARN Cc1ccc(S(=O)(=O)Nc2ccccc2CN=Nc2nncc3ccccc32)cc1 ZINC000030955042 525615388 /nfs/dbraw/zinc/61/53/88/525615388.db2.gz JQAXDCPWCMYSSO-BUVRLJJBSA-N 0 0 417.494 4.185 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000032682588 525628151 /nfs/dbraw/zinc/62/81/51/525628151.db2.gz KOTLMTAXOIOGPQ-NRFANRHFSA-N 0 0 420.538 4.357 50 30 HIEARN C[C@H](Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)Nc1sccc1C#N ZINC000032797168 525673471 /nfs/dbraw/zinc/67/34/71/525673471.db2.gz IPFOKGYGSGNFRO-INIZCTEOSA-N 0 0 418.522 4.031 50 30 HIEARN Cc1ccc(/N=C(/[C@H](c2ccccc2)N2CCOCC2)n2nnc3ccccc32)cc1 ZINC000035616544 525966278 /nfs/dbraw/zinc/96/62/78/525966278.db2.gz OBUUYWWUWWEPIX-KLLVQBIDSA-N 0 0 411.509 4.392 50 30 HIEARN N#CCCN(CCC#N)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S ZINC000025314926 526454479 /nfs/dbraw/zinc/45/44/79/526454479.db2.gz YLIDTBDPWTVPOH-UHFFFAOYSA-N 0 0 424.480 4.435 50 30 HIEARN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000032778177 526786268 /nfs/dbraw/zinc/78/62/68/526786268.db2.gz PGCVPIWFYTWJLP-UHFFFAOYSA-N 0 0 422.510 4.099 50 30 HIEARN O=C1C=C(Nc2ccccc2NC2=CC(=O)C(=O)c3ccccc32)c2ccccc2C1=O ZINC000100721297 526960278 /nfs/dbraw/zinc/96/02/78/526960278.db2.gz NXFCVKGQVGPTFB-UHFFFAOYSA-N 0 0 420.424 4.123 50 30 HIEARN Cn1c(-c2ccc(Br)cc2)cs/c1=N\N=C\c1ccc2c(c1)OCO2 ZINC000016948649 527017732 /nfs/dbraw/zinc/01/77/32/527017732.db2.gz GXJCFEGKYLJXJG-HXSLREHHSA-N 0 0 416.300 4.180 50 30 HIEARN O=C1c2ccccc2C(=O)C(Nc2ccc(N3CCOCC3)c(Cl)c2)=C1Cl ZINC000040545273 527128272 /nfs/dbraw/zinc/12/82/72/527128272.db2.gz YQSBBLJOCHSTFO-UHFFFAOYSA-N 0 0 403.265 4.118 50 30 HIEARN O=C1c2sccc2N(Cc2ccc(F)cc2)S(=O)(=O)C1=CNC1CCCCC1 ZINC000020575793 527138390 /nfs/dbraw/zinc/13/83/90/527138390.db2.gz IKENOJWSMICMCZ-PDGQHHTCSA-N 0 0 420.531 4.184 50 30 HIEARN Cc1nc2sc3c(c2c(SCc2nc4ccccc4c(=O)n2CC#N)n1)CCC3 ZINC000009124774 527208274 /nfs/dbraw/zinc/20/82/74/527208274.db2.gz XIOBEKUGFDRAJT-UHFFFAOYSA-N 0 0 419.535 4.014 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccccc1F ZINC000032973668 527621832 /nfs/dbraw/zinc/62/18/32/527621832.db2.gz ZTBAQMRVBAJBNR-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(C)c1)Nc1cccc(C)c1 ZINC000032973602 527622797 /nfs/dbraw/zinc/62/27/97/527622797.db2.gz CFRNSQOYIWLSID-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN O=C(/C=C\c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000033924279 527655342 /nfs/dbraw/zinc/65/53/42/527655342.db2.gz UJZKNDAOAMETIN-YVMONPNESA-N 0 0 407.338 4.244 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC ZINC000000625708 557022163 /nfs/dbraw/zinc/02/21/63/557022163.db2.gz VJUAZDSCBABZPH-UZUQRXQVSA-N 0 0 403.478 4.230 50 30 HIEARN O=S(=O)(c1ccc(/N=C/c2ccc(Br)cc2)cc1)N1CCCCC1 ZINC000000672179 557050049 /nfs/dbraw/zinc/05/00/49/557050049.db2.gz BXBFUMHRFZUAPJ-XSFVSMFZSA-N 0 0 407.333 4.374 50 30 HIEARN NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000001102848 557179425 /nfs/dbraw/zinc/17/94/25/557179425.db2.gz NHIFMIULPKKIPL-RGVLZGJSSA-N 0 0 405.273 4.107 50 30 HIEARN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc21 ZINC000001127035 557195859 /nfs/dbraw/zinc/19/58/59/557195859.db2.gz ONOKTFYAQLOIIC-VYALMSHHSA-N 0 0 401.466 4.399 50 30 HIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000002066347 557305962 /nfs/dbraw/zinc/30/59/62/557305962.db2.gz XBKXINSIFPYBIB-NRFANRHFSA-N 0 0 411.498 4.363 50 30 HIEARN Cc1ccc(CSC(=N)NN=C2c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000002074576 557307925 /nfs/dbraw/zinc/30/79/25/557307925.db2.gz GUFPRTQDBKNZQH-XTCLZLMSSA-N 0 0 414.534 4.494 50 30 HIEARN CCCCCCCCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002313118 557336423 /nfs/dbraw/zinc/33/64/23/557336423.db2.gz ZKIBZSVCUBDFCQ-UHFFFAOYSA-N 0 0 418.538 4.215 50 30 HIEARN CC1(C)CC2=C(C(=O)C1)[C@@](O)(C(F)(F)F)C(=O)N2c1ccc(Cl)c(Cl)c1 ZINC000002386342 557342829 /nfs/dbraw/zinc/34/28/29/557342829.db2.gz NFZWAFPJQDSXHK-INIZCTEOSA-N 0 0 408.203 4.277 50 30 HIEARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002775355 557385179 /nfs/dbraw/zinc/38/51/79/557385179.db2.gz OLTFBTUPPIWMLY-NRFANRHFSA-N 0 0 415.505 4.398 50 30 HIEARN CCS(=O)(=O)CCOS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000002904472 557425183 /nfs/dbraw/zinc/42/51/83/557425183.db2.gz FHXAUYCLZFXVNI-UHFFFAOYSA-N 0 0 404.594 4.197 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Br ZINC000002981096 557435380 /nfs/dbraw/zinc/43/53/80/557435380.db2.gz OUHONBWMSRSLLW-SFHVURJKSA-N 0 0 404.304 4.370 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000003094434 557445838 /nfs/dbraw/zinc/44/58/38/557445838.db2.gz FHCNSKCOWHBVLT-JOCHJYFZSA-N 0 0 413.514 4.405 50 30 HIEARN CCCCCCCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003138261 557450522 /nfs/dbraw/zinc/45/05/22/557450522.db2.gz NODVVOVHBVTEEL-UHFFFAOYSA-N 0 0 411.414 4.415 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000004065905 557509107 /nfs/dbraw/zinc/50/91/07/557509107.db2.gz OUYCYGGJNZULCH-NRFANRHFSA-N 0 0 411.498 4.124 50 30 HIEARN CN(C)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)n1 ZINC000004199595 557528146 /nfs/dbraw/zinc/52/81/46/557528146.db2.gz REUVKMPCGZMDHP-FSJBWODESA-N 0 0 416.316 4.303 50 30 HIEARN CCOC(=O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000004421946 557553922 /nfs/dbraw/zinc/55/39/22/557553922.db2.gz UWIXADNGHYIJAX-UHFFFAOYSA-N 0 0 404.466 4.052 50 30 HIEARN CCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436367 557555329 /nfs/dbraw/zinc/55/53/29/557555329.db2.gz BVDPEJPCKBSKAZ-GOSISDBHSA-N 0 0 414.531 4.065 50 30 HIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 ZINC000004632225 557574634 /nfs/dbraw/zinc/57/46/34/557574634.db2.gz MRVSGEBGDGSBOR-IBGZPJMESA-N 0 0 414.889 4.128 50 30 HIEARN COC(=O)c1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1 ZINC000004678751 557580093 /nfs/dbraw/zinc/58/00/93/557580093.db2.gz MWPPXBKAJZZHBT-HXUWFJFHSA-N 0 0 413.473 4.411 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1F ZINC000004681870 557580737 /nfs/dbraw/zinc/58/07/37/557580737.db2.gz NCYGSYMMTNQAIH-BJUXRVGASA-N 0 0 401.438 4.111 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3ccc(O)cc3)C12 ZINC000004814187 557601276 /nfs/dbraw/zinc/60/12/76/557601276.db2.gz OKKMYSJJUXSBOK-FQEVSTJZSA-N 0 0 404.495 4.298 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000004820102 557602273 /nfs/dbraw/zinc/60/22/73/557602273.db2.gz UDRSZWHWQPQEBK-OAQYLSRUSA-N 0 0 419.433 4.297 50 30 HIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000004905441 557611760 /nfs/dbraw/zinc/61/17/60/557611760.db2.gz AKSWROUCWIGWAG-GOSISDBHSA-N 0 0 403.475 4.281 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cccc(OC)c1 ZINC000004915860 557613951 /nfs/dbraw/zinc/61/39/51/557613951.db2.gz XAFGEZAYJFWQIU-VLZBMTSBSA-N 0 0 411.527 4.292 50 30 HIEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]1CC2 ZINC000004957015 557617118 /nfs/dbraw/zinc/61/71/18/557617118.db2.gz VGCUCRYLWXVKLX-MYMPAYHZSA-N 0 0 405.454 4.420 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000005446518 557654642 /nfs/dbraw/zinc/65/46/42/557654642.db2.gz ABKKUHDTTVTTBA-IBGZPJMESA-N 0 0 406.825 4.224 50 30 HIEARN CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005727964 557671323 /nfs/dbraw/zinc/67/13/23/557671323.db2.gz VGJRRHQWCQXACQ-NRFANRHFSA-N 0 0 405.473 4.463 50 30 HIEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3[N+](=O)[O-])c(NCc3ccccc3)nc12 ZINC000005748605 557672801 /nfs/dbraw/zinc/67/28/01/557672801.db2.gz QZQDYWFDCZPFPS-BUVRLJJBSA-N 0 0 413.437 4.274 50 30 HIEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931255 557681445 /nfs/dbraw/zinc/68/14/45/557681445.db2.gz MMVWLSPJQCKPIM-QGZVFWFLSA-N 0 0 424.570 4.149 50 30 HIEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 ZINC000005980677 557683443 /nfs/dbraw/zinc/68/34/43/557683443.db2.gz IQUUMFQBBYTOPS-INIZCTEOSA-N 0 0 411.527 4.091 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccc(N(C)C)cc2)C1=O ZINC000006378655 557700486 /nfs/dbraw/zinc/70/04/86/557700486.db2.gz MQWNYNJASPKRKO-RGEXLXHISA-N 0 0 424.522 4.305 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1CCCOC(C)C ZINC000006668083 557713232 /nfs/dbraw/zinc/71/32/32/557713232.db2.gz MUFFLIPSACVKBA-IBGZPJMESA-N 0 0 415.511 4.150 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000006781549 557720751 /nfs/dbraw/zinc/72/07/51/557720751.db2.gz RTAYVFRIVMCGHD-OAQYLSRUSA-N 0 0 423.509 4.217 50 30 HIEARN C[C@@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000010587791 557737213 /nfs/dbraw/zinc/73/72/13/557737213.db2.gz GZAKAPQNWRYXMQ-QGZVFWFLSA-N 0 0 424.472 4.293 50 30 HIEARN C#CCOc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC ZINC000008452133 557791008 /nfs/dbraw/zinc/79/10/08/557791008.db2.gz XGPIZQVSSYMGOI-RGVLZGJSSA-N 0 0 418.793 4.013 50 30 HIEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 ZINC000097414868 557797363 /nfs/dbraw/zinc/79/73/63/557797363.db2.gz MQPJOWOYLZIOAZ-JCKUYFFHSA-N 0 0 407.853 4.340 50 30 HIEARN N=C(NOC(=O)c1ccccc1Cl)c1nccnc1Sc1ccc(Cl)cc1 ZINC000008648444 557798399 /nfs/dbraw/zinc/79/83/99/557798399.db2.gz LZHXGNCUKLKEDP-UHFFFAOYSA-N 0 0 419.293 4.412 50 30 HIEARN O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(Br)cc1 ZINC000008739596 557803426 /nfs/dbraw/zinc/80/34/26/557803426.db2.gz HPRLZEQEEBWCES-IXJMWADBSA-N 0 0 422.735 4.267 50 30 HIEARN Cc1cccc(/C=C\C(=O)c2cc(Br)cc(Br)c(=O)c2O)c1 ZINC000097474768 557809381 /nfs/dbraw/zinc/80/93/81/557809381.db2.gz CWWYYQVEMJZDJJ-WAYWQWQTSA-N 0 0 424.088 4.482 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1OC ZINC000009353717 557838533 /nfs/dbraw/zinc/83/85/33/557838533.db2.gz BYYDVPYABWSHKW-JOCHJYFZSA-N 0 0 415.445 4.487 50 30 HIEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000004331388 558262772 /nfs/dbraw/zinc/26/27/72/558262772.db2.gz KWNYIZSMXZYAJE-INIZCTEOSA-N 0 0 409.559 4.047 50 30 HIEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(N(C)C)cc1 ZINC000004331389 558262863 /nfs/dbraw/zinc/26/28/63/558262863.db2.gz KWNYIZSMXZYAJE-MRXNPFEDSA-N 0 0 409.559 4.047 50 30 HIEARN CSc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019830716 558291516 /nfs/dbraw/zinc/29/15/16/558291516.db2.gz MRXOWRISFJEJCW-KKSFZXQISA-N 0 0 413.539 4.099 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C#Cc2ccccc2)s1 ZINC000019834786 558292362 /nfs/dbraw/zinc/29/23/62/558292362.db2.gz BRNSQLZVQMBEHM-HSZRJFAPSA-N 0 0 403.503 4.289 50 30 HIEARN C=CCSc1nnc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)s1 ZINC000010676841 558337490 /nfs/dbraw/zinc/33/74/90/558337490.db2.gz SDYSDDTYKPCMFE-UHFFFAOYSA-N 0 0 424.555 4.200 50 30 HIEARN O=C(CSc1nnc(NN=Cc2ccccc2)[nH]1)Nc1c(Cl)cccc1Cl ZINC000020508802 558381746 /nfs/dbraw/zinc/38/17/46/558381746.db2.gz XHZODYMNQABEPE-AWQFTUOYSA-N 0 0 421.313 4.288 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C(=O)C1CCCC1 ZINC000004376120 558476498 /nfs/dbraw/zinc/47/64/98/558476498.db2.gz BIAXGBCHSIWSMU-UHFFFAOYSA-N 0 0 412.505 4.461 50 30 HIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(Cl)cc1 ZINC000013424085 558532286 /nfs/dbraw/zinc/53/22/86/558532286.db2.gz DKTNAOADLXJMQX-DVCONVQISA-N 0 0 417.918 4.329 50 30 HIEARN CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/CC)S2)cc1 ZINC000013686002 558569731 /nfs/dbraw/zinc/56/97/31/558569731.db2.gz WYABFTGTROFIIB-UGNPLGLKSA-N 0 0 405.564 4.314 50 30 HIEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccco3)C12 ZINC000013816188 558596204 /nfs/dbraw/zinc/59/62/04/558596204.db2.gz LADIOSBAWGGANY-PXAZEXFGSA-N 0 0 400.360 4.306 50 30 HIEARN CSc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000004478024 558598771 /nfs/dbraw/zinc/59/87/71/558598771.db2.gz WIJUIOCRAYELRX-CJLVFECKSA-N 0 0 411.579 4.020 50 30 HIEARN CC(C)n1ncc2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cnc21 ZINC000024863964 558618052 /nfs/dbraw/zinc/61/80/52/558618052.db2.gz FBTWQLHPJAINRY-UHFFFAOYSA-N 0 0 402.483 4.183 50 30 HIEARN CC(=O)C1=C(c2ccc(Cl)cc2)N(C(C)=O)n2c(nnc2-c2ccccc2)S1 ZINC000004518247 558642055 /nfs/dbraw/zinc/64/20/55/558642055.db2.gz WZPJGKIVCVJNGI-UHFFFAOYSA-N 0 0 410.886 4.147 50 30 HIEARN C#CCN(Cc1cccnc1)C(=O)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1 ZINC000072270423 558673633 /nfs/dbraw/zinc/67/36/33/558673633.db2.gz HWOIDNDBBZFERU-UHFFFAOYSA-N 0 0 406.417 4.042 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccc(OC)cc2)C1=O ZINC000004551437 558704208 /nfs/dbraw/zinc/70/42/08/558704208.db2.gz RZUWGVBGPRCQNM-AQTBWJFISA-N 0 0 411.479 4.247 50 30 HIEARN C=CCc1cccc2cc(C(=O)NCCOC34CC5CC(CC(C5)C3)C4)c(=O)oc21 ZINC000004580103 558762455 /nfs/dbraw/zinc/76/24/55/558762455.db2.gz FNMIJXUNYOHLEJ-UHFFFAOYSA-N 0 0 407.510 4.237 50 30 HIEARN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1)[C@@H]1CCCO1 ZINC000016400409 558789932 /nfs/dbraw/zinc/78/99/32/558789932.db2.gz QOWPKOSJJXLZSU-LBPRGKRZSA-N 0 0 419.293 4.024 50 30 HIEARN Cc1cccc(NC(=S)N[C@@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)c1C ZINC000022941962 558794884 /nfs/dbraw/zinc/79/48/84/558794884.db2.gz JRDUGQVKIFYYIE-PXNSSMCTSA-N 0 0 402.633 4.440 50 30 HIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1 ZINC000016732440 558802439 /nfs/dbraw/zinc/80/24/39/558802439.db2.gz QFOYKUIBJIQMIW-RBBKRZOGSA-N 0 0 419.477 4.009 50 30 HIEARN Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)OC(N)=C2S(=O)(=O)c2ccccc2)cc1 ZINC000016741461 558803543 /nfs/dbraw/zinc/80/35/43/558803543.db2.gz IUJBHGBWEWPPQZ-HXUWFJFHSA-N 0 0 423.534 4.354 50 30 HIEARN Cc1nn(Cc2ccccc2C)c(C)c1/N=C1\SCC(=O)N1CCCOC(C)C ZINC000017090107 558818745 /nfs/dbraw/zinc/81/87/45/558818745.db2.gz DNRJQQGJSJWALX-FCQUAONHSA-N 0 0 414.575 4.235 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3ccc(O)cc3)C12 ZINC000017177807 558824916 /nfs/dbraw/zinc/82/49/16/558824916.db2.gz OMWYHXMFDUKTES-HXUWFJFHSA-N 0 0 422.485 4.437 50 30 HIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000033011217 558830685 /nfs/dbraw/zinc/83/06/85/558830685.db2.gz HFBRHNPSODYHHF-UHFFFAOYSA-N 0 0 420.450 4.268 50 30 HIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 ZINC000018153414 558832284 /nfs/dbraw/zinc/83/22/84/558832284.db2.gz BZNCXIDLIUZKEF-KRWDZBQOSA-N 0 0 404.304 4.370 50 30 HIEARN CC(C)Oc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000018209041 558833632 /nfs/dbraw/zinc/83/36/32/558833632.db2.gz XMKRYZLNENUSHN-YPKZHZFPSA-N 0 0 401.919 4.291 50 30 HIEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000004603991 558847383 /nfs/dbraw/zinc/84/73/83/558847383.db2.gz ADBGZNRJJMJJSD-YDZHTSKRSA-N 0 0 409.373 4.408 50 30 HIEARN COc1ccccc1C(=O)OCC(=O)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000068592026 558863634 /nfs/dbraw/zinc/86/36/34/558863634.db2.gz KAJWSYHWWIEVQQ-DTQAZKPQSA-N 0 0 416.429 4.354 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000019314965 558867111 /nfs/dbraw/zinc/86/71/11/558867111.db2.gz XSHYUDFDGFSOLX-SFHVURJKSA-N 0 0 419.905 4.221 50 30 HIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O)c1ccc2c(c1)OCO2 ZINC000013778478 558869224 /nfs/dbraw/zinc/86/92/24/558869224.db2.gz HIWVISHIYDEMER-NKVSQWTQSA-N 0 0 404.349 4.390 50 30 HIEARN CCCCCCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000098045172 559031915 /nfs/dbraw/zinc/03/19/15/559031915.db2.gz ACRLYYFCDPRVMT-IBGZPJMESA-N 0 0 406.885 4.151 50 30 HIEARN N#Cc1cnc(SCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc1N ZINC000004733125 559033510 /nfs/dbraw/zinc/03/35/10/559033510.db2.gz VAENJFRGHCTVFU-UHFFFAOYSA-N 0 0 419.554 4.129 50 30 HIEARN C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(F)cc1 ZINC000004736239 559035400 /nfs/dbraw/zinc/03/54/00/559035400.db2.gz FNOMROQDCCBTGX-UHFFFAOYSA-N 0 0 403.508 4.074 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3ccncc3)C12 ZINC000096319739 559110062 /nfs/dbraw/zinc/11/00/62/559110062.db2.gz OXCDERFQKHAXTH-LJQANCHMSA-N 0 0 407.474 4.127 50 30 HIEARN C=CC[C@]1(C#N)C(=S)NC(c2ccccc2)=C(C(=O)OCC)[C@H]1c1cccnc1 ZINC000100100856 559129778 /nfs/dbraw/zinc/12/97/78/559129778.db2.gz JARYIWRELCNLKV-AUSIDOKSSA-N 0 0 403.507 4.156 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cccs1 ZINC000100623248 559137044 /nfs/dbraw/zinc/13/70/44/559137044.db2.gz XWELREAAZOGAJP-FPTDNZKUSA-N 0 0 409.507 4.291 50 30 HIEARN COc1ccc(C=NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1O ZINC000110025120 559138325 /nfs/dbraw/zinc/13/83/25/559138325.db2.gz SJBDBBGRORBOQU-BUVRLJJBSA-N 0 0 405.502 4.272 50 30 HIEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014095396 559149848 /nfs/dbraw/zinc/14/98/48/559149848.db2.gz XJHNHYJCXUJJGL-UHFFFAOYSA-N 0 0 423.516 4.118 50 30 HIEARN COc1ccc(NC(=O)[C@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000106884740 559164075 /nfs/dbraw/zinc/16/40/75/559164075.db2.gz XRDHHYNFGQIUOO-VIFPVBQESA-N 0 0 402.188 4.203 50 30 HIEARN CCOc1ccc(CC(=O)C2=C(NCc3ccccc3)CCCC2=O)cc1OCC ZINC000100162211 559167370 /nfs/dbraw/zinc/16/73/70/559167370.db2.gz HEHRMXOFSNQBCC-UHFFFAOYSA-N 0 0 407.510 4.393 50 30 HIEARN N#Cc1ccccc1-c1ccc(COC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000023450593 559174685 /nfs/dbraw/zinc/17/46/85/559174685.db2.gz LWKVQTKPRBKHER-UHFFFAOYSA-N 0 0 424.456 4.345 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000100418399 559199291 /nfs/dbraw/zinc/19/92/91/559199291.db2.gz JROXTAZDTVBLCH-SNVBAGLBSA-N 0 0 414.811 4.077 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1OC ZINC000004919273 559204702 /nfs/dbraw/zinc/20/47/02/559204702.db2.gz FFSVXIKTDLQMPE-SIKLNZKXSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1OC ZINC000004919756 559204859 /nfs/dbraw/zinc/20/48/59/559204859.db2.gz QIHNZDIMQCMAJX-MBSDFSHPSA-N 0 0 410.466 4.032 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cc(C)ccc1C ZINC000004943879 559214575 /nfs/dbraw/zinc/21/45/75/559214575.db2.gz TUVUXJCMSHLWEE-UHFFFAOYSA-N 0 0 407.470 4.199 50 30 HIEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O ZINC000004953730 559216068 /nfs/dbraw/zinc/21/60/68/559216068.db2.gz HZFOUUWXUMDLRU-PPPMLJSVSA-N 0 0 411.527 4.338 50 30 HIEARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccco1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004979926 559222811 /nfs/dbraw/zinc/22/28/11/559222811.db2.gz HATNFDWZFJCVLB-FQEVSTJZSA-N 0 0 403.486 4.381 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F ZINC000004993257 559225355 /nfs/dbraw/zinc/22/53/55/559225355.db2.gz RASNDGGBVHMQRS-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN C=CCNC(=S)N=NCc1cccc(OCc2ccc(Br)cc2)c1 ZINC000005009760 559227852 /nfs/dbraw/zinc/22/78/52/559227852.db2.gz JYFNNMKKFWMWCI-MTJSOVHGSA-N 0 0 404.333 4.423 50 30 HIEARN CC[C@@H](C)NC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000005100887 559245407 /nfs/dbraw/zinc/24/54/07/559245407.db2.gz SVTUXIJCKSMVCC-CJCQAYSXSA-N 0 0 420.904 4.231 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nc2c3ccccc3[nH]c2c1=O ZINC000005106754 559245968 /nfs/dbraw/zinc/24/59/68/559245968.db2.gz LCZKDQHGDAWMNM-UHFFFAOYSA-N 0 0 404.495 4.103 50 30 HIEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000005164215 559275715 /nfs/dbraw/zinc/27/57/15/559275715.db2.gz HDVOYXXURQRTSK-PKSBALPTSA-N 0 0 403.228 4.006 50 30 HIEARN O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000252634835 559278765 /nfs/dbraw/zinc/27/87/65/559278765.db2.gz WRRPXWQDVKGYDQ-OPXSVQQPSA-N 0 0 421.265 4.496 50 30 HIEARN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@@H]12 ZINC000061991152 560564679 /nfs/dbraw/zinc/56/46/79/560564679.db2.gz QFCBTOZSDBUXDI-HROMDODWSA-N 0 0 424.585 4.131 50 30 HIEARN CC(=O)C1=C(C)Oc2ncn3nc(COc4ccccc4)nc3c2[C@H]1c1ccccc1 ZINC000005345051 560569665 /nfs/dbraw/zinc/56/96/65/560569665.db2.gz HDFZQHSDNCUSAU-NRFANRHFSA-N 0 0 412.449 4.091 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccco4)nc3c1[C@@H]2c1ccco1 ZINC000005347292 560570582 /nfs/dbraw/zinc/57/05/82/560570582.db2.gz PRJLLFMOIBUKBC-QGZVFWFLSA-N 0 0 402.410 4.145 50 30 HIEARN O=C(Nc1ncc(C(F)(F)F)cc1Cl)C(F)(F)C(F)(F)OC(F)(F)F ZINC000136523901 560596660 /nfs/dbraw/zinc/59/66/60/560596660.db2.gz KCLAJIALRNEHGP-UHFFFAOYSA-N 0 0 408.579 4.457 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000005646143 560636238 /nfs/dbraw/zinc/63/62/38/560636238.db2.gz NOPYJQVACUVCAC-NRFANRHFSA-N 0 0 419.477 4.225 50 30 HIEARN C#CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000002985417 560732613 /nfs/dbraw/zinc/73/26/13/560732613.db2.gz ALYLAUDHZQGVJN-UHFFFAOYSA-N 0 0 422.440 4.282 50 30 HIEARN C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cc2ccccc2o1 ZINC000004700846 560736130 /nfs/dbraw/zinc/73/61/30/560736130.db2.gz JZQPZOHEJSCCDR-UHFFFAOYSA-N 0 0 418.522 4.328 50 30 HIEARN Cc1nc(-c2ccccc2)sc1C(=O)/C(=C/N(C)C)S(=O)(=O)c1ccccc1 ZINC000100916061 560763036 /nfs/dbraw/zinc/76/30/36/560763036.db2.gz QKYYAZUTXRTFOV-JXAWBTAJSA-N 0 0 412.536 4.178 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(O)c1 ZINC000018197250 560782768 /nfs/dbraw/zinc/78/27/68/560782768.db2.gz CUNNRERFKDZVJT-IBGZPJMESA-N 0 0 401.466 4.072 50 30 HIEARN CCCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccccc1OCC ZINC000101284763 560790630 /nfs/dbraw/zinc/79/06/30/560790630.db2.gz UOQSAXAUGADRQO-FQEVSTJZSA-N 0 0 413.522 4.264 50 30 HIEARN C=CCS[C@@]1(Br)NC(c2ccc(OC)cc2)=C[C@H](c2ccco2)N1 ZINC000101320923 560791747 /nfs/dbraw/zinc/79/17/47/560791747.db2.gz PDHUDWLPRZRZEY-AEFFLSMTSA-N 0 0 407.333 4.489 50 30 HIEARN CCCCc1ccc(N2/C(=N\C(=O)C(CC)CC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101459522 560794869 /nfs/dbraw/zinc/79/48/69/560794869.db2.gz MFVPAAJCWBLOPQ-QSDHIIRHSA-N 0 0 422.616 4.067 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102495204 560812271 /nfs/dbraw/zinc/81/22/71/560812271.db2.gz KMQSODATMKZSDM-JBCNATCCSA-N 0 0 402.425 4.151 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102520881 560815936 /nfs/dbraw/zinc/81/59/36/560815936.db2.gz NPKMDOCTOCCWQD-JBCNATCCSA-N 0 0 402.425 4.151 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102703550 560820440 /nfs/dbraw/zinc/82/04/40/560820440.db2.gz MRAQSJXHTNDFBU-MRJHHRETSA-N 0 0 418.449 4.316 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102717353 560823307 /nfs/dbraw/zinc/82/33/07/560823307.db2.gz NHTBIRQEMLCNDI-NHFXJNLRSA-N 0 0 411.498 4.344 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771420 560825243 /nfs/dbraw/zinc/82/52/43/560825243.db2.gz ZHYAMNDNASALDO-SDNDWZSWSA-N 0 0 418.474 4.093 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)c1 ZINC000102804707 560826928 /nfs/dbraw/zinc/82/69/28/560826928.db2.gz GKKREJHSXNXINH-MRJHHRETSA-N 0 0 400.434 4.025 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000102873088 560830309 /nfs/dbraw/zinc/83/03/09/560830309.db2.gz WPZQLPYCVCYTLS-GOBJLOIFSA-N 0 0 400.390 4.221 50 30 HIEARN CCCCCCCC(=O)NCCNC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000102993066 560836584 /nfs/dbraw/zinc/83/65/84/560836584.db2.gz KAHPSJIKYODVCI-UHFFFAOYSA-N 0 0 417.575 4.237 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCc1ccccc1 ZINC000103933895 560845086 /nfs/dbraw/zinc/84/50/86/560845086.db2.gz TWISTNAYROQKOD-FEYWKWKCSA-N 0 0 413.473 4.360 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000104084273 560848016 /nfs/dbraw/zinc/84/80/16/560848016.db2.gz ZSMWGFYZBVDXDU-MRJHHRETSA-N 0 0 401.418 4.027 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000104121694 560848401 /nfs/dbraw/zinc/84/84/01/560848401.db2.gz SJHZGIUEGFKNET-YDJIHCHBSA-N 0 0 418.380 4.360 50 30 HIEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000044859081 560897555 /nfs/dbraw/zinc/89/75/55/560897555.db2.gz RAPGDMOFEOWTIQ-QFIPXVFZSA-N 0 0 414.465 4.166 50 30 HIEARN COc1ccc(CN2C(N)=C(C#N)[C@]3(c4ccccc4NC3=O)C3=C2CCCC3)cc1 ZINC000108420832 568418824 /nfs/dbraw/zinc/41/88/24/568418824.db2.gz UETHKOOPLSSYMI-CPJSRVTESA-N 0 0 412.493 4.346 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1ccccn1 ZINC000046126514 568428680 /nfs/dbraw/zinc/42/86/80/568428680.db2.gz BHGMFEODYKLSDG-UHFFFAOYSA-N 0 0 402.498 4.414 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2cccnc2)cc1 ZINC000046127098 568428801 /nfs/dbraw/zinc/42/88/01/568428801.db2.gz UGLCQYDQMJJZEL-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN O=C(N=C(NCc1cccnc1)Nc1ccc(F)c(Cl)c1)c1cccc(F)c1 ZINC000046128113 568428949 /nfs/dbraw/zinc/42/89/49/568428949.db2.gz FZUQRWSFXLICLZ-UHFFFAOYSA-N 0 0 400.816 4.411 50 30 HIEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCCO1 ZINC000046129154 568429107 /nfs/dbraw/zinc/42/91/07/568429107.db2.gz OLMGWVVYFXUECI-HNNXBMFYSA-N 0 0 407.848 4.304 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046130945 568429301 /nfs/dbraw/zinc/42/93/01/568429301.db2.gz GGCJFQNYWDQGKW-NRFANRHFSA-N 0 0 409.530 4.370 50 30 HIEARN COc1ccccc1NC(=NC(=O)c1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCO1 ZINC000046130968 568429325 /nfs/dbraw/zinc/42/93/25/568429325.db2.gz IUXIVDIELCDMLD-INIZCTEOSA-N 0 0 421.419 4.091 50 30 HIEARN O=C(N=C(NC[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000046133064 568430250 /nfs/dbraw/zinc/43/02/50/568430250.db2.gz KEHIRKXUYZTDMH-KRWDZBQOSA-N 0 0 409.383 4.221 50 30 HIEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C(F)(F)F)c2)c1 ZINC000046133055 568430265 /nfs/dbraw/zinc/43/02/65/568430265.db2.gz MSJIJJGGEWAERF-SFHVURJKSA-N 0 0 405.420 4.391 50 30 HIEARN C[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012259804 568456498 /nfs/dbraw/zinc/45/64/98/568456498.db2.gz HMLAWNFGGBKOIK-NSHDSACASA-N 0 0 403.577 4.424 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccc(F)c3F)C2)cc1 ZINC000012321592 568470902 /nfs/dbraw/zinc/47/09/02/568470902.db2.gz WYTHGOMKZLPFOR-FKIZINRSSA-N 0 0 424.407 4.336 50 30 HIEARN CCOc1ccc2ccccc2c1[C@@H]1C(C(=O)OC)=C(N)OC2=C1C(=O)CC(C)(C)C2 ZINC000000818762 568496730 /nfs/dbraw/zinc/49/67/30/568496730.db2.gz GXEFTIWMTQOLDJ-NRFANRHFSA-N 0 0 421.493 4.339 50 30 HIEARN COc1c2c(cc3c1[C@@H](C#CCSc1nc4ccccc4s1)N(C)CC3)OCO2 ZINC000020411843 568605492 /nfs/dbraw/zinc/60/54/92/568605492.db2.gz AFLVWZIUIJSHJS-MRXNPFEDSA-N 0 0 424.547 4.358 50 30 HIEARN CCCN(CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)cc1OC(F)F ZINC000095409429 568606567 /nfs/dbraw/zinc/60/65/67/568606567.db2.gz LUKWNEWSFGBIDP-UHFFFAOYSA-N 0 0 403.429 4.019 50 30 HIEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1ncn(-c2ccccc2)n1 ZINC000095457485 568618416 /nfs/dbraw/zinc/61/84/16/568618416.db2.gz ZNLGMGXYNOTWGP-UHFFFAOYSA-N 0 0 409.902 4.109 50 30 HIEARN CN(C)c1cc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc2n1 ZINC000095469227 568625516 /nfs/dbraw/zinc/62/55/16/568625516.db2.gz VIFFSPOVYBZZGW-UHFFFAOYSA-N 0 0 413.506 4.472 50 30 HIEARN COc1ccc(CCc2nc(NC(=O)CCn3ccc4ccccc43)n[nH]2)cc1OC ZINC000095476673 568630519 /nfs/dbraw/zinc/63/05/19/568630519.db2.gz ZPGAYVWWMCWDAO-UHFFFAOYSA-N 0 0 419.485 4.240 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000225512263 568645343 /nfs/dbraw/zinc/64/53/43/568645343.db2.gz LHWPBYYMQDCYJN-FYYLOGMGSA-N 0 0 410.466 4.032 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3OC)C2)cc1 ZINC000012407972 568711981 /nfs/dbraw/zinc/71/19/81/568711981.db2.gz KUIQYYNVZGPOTD-QKKBWIMNSA-N 0 0 418.453 4.066 50 30 HIEARN Cc1cccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)c1 ZINC000012418795 568719148 /nfs/dbraw/zinc/71/91/48/568719148.db2.gz AMMRLYXTGSVMAV-BQYQJAHWSA-N 0 0 404.495 4.049 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1cccc(Cl)c1 ZINC000000868519 568725129 /nfs/dbraw/zinc/72/51/29/568725129.db2.gz LZHAFYGVQGABEJ-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc(C)c(C)c1C#N ZINC000000888238 568739766 /nfs/dbraw/zinc/73/97/66/568739766.db2.gz UJTMRNPSXXKYQT-UHFFFAOYSA-N 0 0 411.556 4.170 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)nc1 ZINC000025281993 568761932 /nfs/dbraw/zinc/76/19/32/568761932.db2.gz RWZRJKPZTXVNFI-UHFFFAOYSA-N 0 0 422.492 4.352 50 30 HIEARN CSc1sc(C#N)c(C)c1-c1ccn(S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000001038030 568764107 /nfs/dbraw/zinc/76/41/07/568764107.db2.gz FWUVABQYDLSIOG-UHFFFAOYSA-N 0 0 409.945 4.404 50 30 HIEARN C#C[C@](C)(CC)NC(=O)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000001074425 568766999 /nfs/dbraw/zinc/76/69/99/568766999.db2.gz HQUMHWKLIOKEHT-QGZVFWFLSA-N 0 0 410.783 4.193 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nnc3sc4ccccc4n13)CCC2 ZINC000002458434 568770523 /nfs/dbraw/zinc/77/05/23/568770523.db2.gz NYMNMNORUIPGIN-UHFFFAOYSA-N 0 0 411.537 4.097 50 30 HIEARN C=CCN1C(=O)/C(=C\c2nc(C#N)c(Nc3ccc(OCC)cc3)o2)SC1=S ZINC000001105834 568772050 /nfs/dbraw/zinc/77/20/50/568772050.db2.gz DLWKQWYJVFAXER-XNTDXEJSSA-N 0 0 412.496 4.076 50 30 HIEARN C=CCNc1nc(Nc2ccc(F)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 ZINC000002495680 568776451 /nfs/dbraw/zinc/77/64/51/568776451.db2.gz GIRKKFDZOPUPOM-UHFFFAOYSA-N 0 0 411.281 4.224 50 30 HIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 ZINC000002633917 568791560 /nfs/dbraw/zinc/79/15/60/568791560.db2.gz AUGQYROHIODRAA-UHFFFAOYSA-N 0 0 405.527 4.138 50 30 HIEARN CCCCn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2c1=O ZINC000002639350 568793015 /nfs/dbraw/zinc/79/30/15/568793015.db2.gz XBFIRTVDEGGBLD-UHFFFAOYSA-N 0 0 406.511 4.261 50 30 HIEARN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)c1C ZINC000002642936 568794237 /nfs/dbraw/zinc/79/42/37/568794237.db2.gz ZNVHCSIYGSOUHB-UHFFFAOYSA-N 0 0 405.479 4.228 50 30 HIEARN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2/N=C(\C)c2ccccc2O)ccc1O ZINC000001175858 568821299 /nfs/dbraw/zinc/82/12/99/568821299.db2.gz DGRAHKHGLHXDKG-XQQQEEOESA-N 0 0 417.465 4.487 50 30 HIEARN CC[C@@H](C)[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C(=O)c2ccccc2C1=O ZINC000001196824 568822596 /nfs/dbraw/zinc/82/25/96/568822596.db2.gz JLKZSNDEWBYHLO-BFUOFWGJSA-N 0 0 421.522 4.148 50 30 HIEARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCCC#N)n2Cc2ccco2)cc1 ZINC000005858318 568826108 /nfs/dbraw/zinc/82/61/08/568826108.db2.gz OFUARXMOUOLITR-UHFFFAOYSA-N 0 0 423.542 4.006 50 30 HIEARN CCCOc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000057334285 568827113 /nfs/dbraw/zinc/82/71/13/568827113.db2.gz VKLHCDLRPBVPTG-UHFFFAOYSA-N 0 0 402.498 4.324 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 ZINC000006003402 568834917 /nfs/dbraw/zinc/83/49/17/568834917.db2.gz JZWNWHVZDIOGEO-SJKOYZFVSA-N 0 0 411.527 4.234 50 30 HIEARN C=CCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1OC ZINC000002070902 568844127 /nfs/dbraw/zinc/84/41/27/568844127.db2.gz JRCITDMUTUAHRN-CXUHLZMHSA-N 0 0 414.801 4.166 50 30 HIEARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(C#N)cc1 ZINC000003359413 568857304 /nfs/dbraw/zinc/85/73/04/568857304.db2.gz IWPHXYYRMDDULE-SNVBAGLBSA-N 0 0 424.092 4.489 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccc(Br)cc1 ZINC000003199702 568861253 /nfs/dbraw/zinc/86/12/53/568861253.db2.gz UPVQLCKYMRMSEC-KRWDZBQOSA-N 0 0 419.344 4.469 50 30 HIEARN C[C@@]1(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)CC1(Cl)Cl ZINC000003257073 568868538 /nfs/dbraw/zinc/86/85/38/568868538.db2.gz ADAJLEITRCFYCX-HNNXBMFYSA-N 0 0 402.372 4.286 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2sc(CC)cc2c1=O ZINC000003268721 568870087 /nfs/dbraw/zinc/87/00/87/568870087.db2.gz ZIOXVESNBJIAFR-CQSZACIVSA-N 0 0 413.568 4.176 50 30 HIEARN NC(=NOCc1cc(-c2ccccc2)on1)c1ccc(OCc2cccnc2)cc1 ZINC000058152106 568892904 /nfs/dbraw/zinc/89/29/04/568892904.db2.gz PHOKZONJHYVJOI-UHFFFAOYSA-N 0 0 400.438 4.153 50 30 HIEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c(OC)c1OC ZINC000217606442 568897861 /nfs/dbraw/zinc/89/78/61/568897861.db2.gz SVBOAOVFVPFBLM-CQSZACIVSA-N 0 0 410.422 4.022 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)c2cc3c(s2)CCC3)sc2c1CCCCC2 ZINC000003427676 568900852 /nfs/dbraw/zinc/90/08/52/568900852.db2.gz AFSINBQZLDIOEZ-UHFFFAOYSA-N 0 0 400.525 4.234 50 30 HIEARN C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCCC[C@H]3C)nc2c1=O ZINC000072462530 568920554 /nfs/dbraw/zinc/92/05/54/568920554.db2.gz GKEDEBTWWSAZSK-OAHLLOKOSA-N 0 0 410.905 4.017 50 30 HIEARN CN(C(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)c1ccc(C#N)cc1 ZINC000083868034 568922005 /nfs/dbraw/zinc/92/20/05/568922005.db2.gz NMSIFZCCZVCPSX-UHFFFAOYSA-N 0 0 424.254 4.443 50 30 HIEARN Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000004004567 568933027 /nfs/dbraw/zinc/93/30/27/568933027.db2.gz HBSAJAUGKWEPLX-LFVJCYFKSA-N 0 0 419.485 4.134 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000004119621 568944522 /nfs/dbraw/zinc/94/45/22/568944522.db2.gz YOVHEWKELBMXQL-NZQKXSOJSA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1ccccc1NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000012761988 568946408 /nfs/dbraw/zinc/94/64/08/568946408.db2.gz WPHSSNLWMVICEK-UHFFFAOYSA-N 0 0 418.453 4.165 50 30 HIEARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000084409150 568948801 /nfs/dbraw/zinc/94/88/01/568948801.db2.gz TVVYYRLFUXNETF-IBGZPJMESA-N 0 0 417.431 4.019 50 30 HIEARN Cc1nc(-c2cc(C#N)c(SCCNC(=O)c3ccc(F)cc3)nc2C)cs1 ZINC000004300759 568959980 /nfs/dbraw/zinc/95/99/80/568959980.db2.gz PAJWRZGPSXUYBN-UHFFFAOYSA-N 0 0 412.515 4.355 50 30 HIEARN C#CCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000004803603 568964242 /nfs/dbraw/zinc/96/42/42/568964242.db2.gz CCBJYECLMNPCDQ-UNOMPAQXSA-N 0 0 411.866 4.271 50 30 HIEARN C=CCn1c(SCCCC)nc2ccc(I)cc2c1=O ZINC000004901380 568964447 /nfs/dbraw/zinc/96/44/47/568964447.db2.gz RSKHTTRFQXCPJO-UHFFFAOYSA-N 0 0 400.285 4.079 50 30 HIEARN C=CCn1c(C)cc(C(=O)COC(=O)Cc2csc(-c3ccsc3)n2)c1C ZINC000008001440 568967770 /nfs/dbraw/zinc/96/77/70/568967770.db2.gz SZANAICTNFDVRH-UHFFFAOYSA-N 0 0 400.525 4.445 50 30 HIEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2c3ccccc3C[C@@H]2C)c1C#N ZINC000008119050 568974544 /nfs/dbraw/zinc/97/45/44/568974544.db2.gz VIGQQBJPDWXIMP-HNNXBMFYSA-N 0 0 404.539 4.476 50 30 HIEARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1sccc1C#N ZINC000008156997 568978352 /nfs/dbraw/zinc/97/83/52/568978352.db2.gz IASCZLDMTXQBCE-NSHDSACASA-N 0 0 415.569 4.318 50 30 HIEARN Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1C1CCCCC1 ZINC000008189861 568981086 /nfs/dbraw/zinc/98/10/86/568981086.db2.gz VXBOAWKJEGWWSM-UHFFFAOYSA-N 0 0 401.561 4.244 50 30 HIEARN C#CCOC(=O)c1c(Oc2nc(OC)cc(OC)n2)cccc1-c1ccc(Cl)cc1 ZINC000085389099 568984038 /nfs/dbraw/zinc/98/40/38/568984038.db2.gz BBFACVXCSCWDKQ-UHFFFAOYSA-N 0 0 424.840 4.397 50 30 HIEARN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)cc1C ZINC000015738954 568986623 /nfs/dbraw/zinc/98/66/23/568986623.db2.gz FCXOJLMWGQAEDR-UHFFFAOYSA-N 0 0 405.479 4.228 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(OC)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000009601821 568986992 /nfs/dbraw/zinc/98/69/92/568986992.db2.gz XLJGMBUZQHWIEJ-IBGZPJMESA-N 0 0 424.482 4.043 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1sccc1C ZINC000008346019 568994623 /nfs/dbraw/zinc/99/46/23/568994623.db2.gz FNHPSMXSJPMJDN-CQSZACIVSA-N 0 0 417.556 4.203 50 30 HIEARN COc1cc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OC)c1OC ZINC000006097650 569001406 /nfs/dbraw/zinc/00/14/06/569001406.db2.gz AREDPUUMQZEFFF-FWPCIQOSSA-N 0 0 412.511 4.422 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2sccc2c1=O ZINC000012820730 569004845 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CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccs2)c1 ZINC000006134386 569014195 /nfs/dbraw/zinc/01/41/95/569014195.db2.gz OQELCCXRFXEEAA-HXUWFJFHSA-N 0 0 420.490 4.320 50 30 HIEARN C=CCN(C(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1nc2c(s1)CCCC2 ZINC000012915478 569022483 /nfs/dbraw/zinc/02/24/83/569022483.db2.gz POJYCDTVHUYLQT-HNNXBMFYSA-N 0 0 415.584 4.155 50 30 HIEARN Cc1ccc(N(CCC#N)C(=O)CN2CCC(C(=O)c3ccccc3)CC2)cc1C ZINC000012919462 569022889 /nfs/dbraw/zinc/02/28/89/569022889.db2.gz JXWRCYBEYDODSH-UHFFFAOYSA-N 0 0 403.526 4.145 50 30 HIEARN Oc1ccc2ccccc2c1/C=N/NC(=S)N/N=C/c1c(O)ccc2ccccc21 ZINC000001682160 569032024 /nfs/dbraw/zinc/03/20/24/569032024.db2.gz VEMDZVIIABTOEZ-GUJRAXHGSA-N 0 0 414.490 4.236 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000006238811 569034359 /nfs/dbraw/zinc/03/43/59/569034359.db2.gz VOCFVRBLZNVIPP-GOSISDBHSA-N 0 0 403.837 4.094 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006265790 569036094 /nfs/dbraw/zinc/03/60/94/569036094.db2.gz XECGWIOWCYSDCF-FQEVSTJZSA-N 0 0 406.413 4.467 50 30 HIEARN C#Cc1c(F)c(F)c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c(F)c1F ZINC000089261876 569041001 /nfs/dbraw/zinc/04/10/01/569041001.db2.gz LPRWPFVJOQUIMM-UHFFFAOYSA-N 0 0 417.362 4.221 50 30 HIEARN C=CCOc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O ZINC000001817150 569056106 /nfs/dbraw/zinc/05/61/06/569056106.db2.gz KIEIPNZEYMBZJS-OKEOATJYSA-N 0 0 414.796 4.086 50 30 HIEARN N#Cc1nc(COc2ccccc2Cl)oc1N1CCN(Cc2ccccc2)CC1 ZINC000054061544 569056878 /nfs/dbraw/zinc/05/68/78/569056878.db2.gz FITISWJUEQZWMZ-UHFFFAOYSA-N 0 0 408.889 4.101 50 30 HIEARN CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000054151501 569059972 /nfs/dbraw/zinc/05/99/72/569059972.db2.gz ZENFIEYEVOUZGW-JLHYYAGUSA-N 0 0 414.509 4.438 50 30 HIEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000064473493 569063738 /nfs/dbraw/zinc/06/37/38/569063738.db2.gz LRBIRVXLYRCMAM-UHFFFAOYSA-N 0 0 404.901 4.293 50 30 HIEARN COc1ccc2c(c1)ncc(C#N)c2N1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000064473669 569063810 /nfs/dbraw/zinc/06/38/10/569063810.db2.gz SUDZUSCHVOEBID-UHFFFAOYSA-N 0 0 422.435 4.248 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000004702219 569071438 /nfs/dbraw/zinc/07/14/38/569071438.db2.gz PGIJCAXZAWGWNC-OAQYLSRUSA-N 0 0 405.473 4.463 50 30 HIEARN CC1=CC(=O)C=C/C1=N\Oc1cc(Br)c(N=O)c(Br)c1 ZINC000006668002 569086090 /nfs/dbraw/zinc/08/60/90/569086090.db2.gz ZQQPTXFVZKWRGG-SFQUDFHCSA-N 0 0 400.026 4.430 50 30 HIEARN C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1ccccc1OC)CC2 ZINC000064754497 569089651 /nfs/dbraw/zinc/08/96/51/569089651.db2.gz FBVGWLAYJHQJMU-UHFFFAOYSA-N 0 0 416.477 4.093 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006691045 569091290 /nfs/dbraw/zinc/09/12/90/569091290.db2.gz IMORDLUXULSIAZ-OAQYLSRUSA-N 0 0 419.433 4.075 50 30 HIEARN COc1cccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000006720274 569098121 /nfs/dbraw/zinc/09/81/21/569098121.db2.gz FBGXZXHIENVDSZ-QFIPXVFZSA-N 0 0 417.509 4.333 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCC(C)C)nn32)c(OC)c1 ZINC000006728707 569102118 /nfs/dbraw/zinc/10/21/18/569102118.db2.gz GTSQGRUXVASPOR-LJQANCHMSA-N 0 0 414.531 4.065 50 30 HIEARN CCCCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1C(=O)CCCC1=N2 ZINC000006738230 569106476 /nfs/dbraw/zinc/10/64/76/569106476.db2.gz NPPVQAKERFAIOZ-LJQANCHMSA-N 0 0 414.531 4.210 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000006780857 569120406 /nfs/dbraw/zinc/12/04/06/569120406.db2.gz QTTDZEYRRLKHLY-QFIPXVFZSA-N 0 0 412.445 4.429 50 30 HIEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)Oc2ccccc2)[C@H]1c1ccoc1 ZINC000006816376 569137459 /nfs/dbraw/zinc/13/74/59/569137459.db2.gz FWYQTWKAYMEBJL-DNVJHFABSA-N 0 0 407.429 4.287 50 30 HIEARN Cc1c(C#N)c2ccccc2n1CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000064987012 569145217 /nfs/dbraw/zinc/14/52/17/569145217.db2.gz PNSBLXGTAGNRGC-VWLOTQADSA-N 0 0 417.509 4.496 50 30 HIEARN C=CCn1c(SCCOc2ccc(C)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000006910326 569178891 /nfs/dbraw/zinc/17/88/91/569178891.db2.gz SQXALRGNHGDBBX-HXUWFJFHSA-N 0 0 409.511 4.456 50 30 HIEARN Cc1cc(OCC(=O)Nc2ccccc2C#N)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065133989 569183081 /nfs/dbraw/zinc/18/30/81/569183081.db2.gz NAOCMDCWKVCRHX-UHFFFAOYSA-N 0 0 412.371 4.360 50 30 HIEARN CCn1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C#N)c3c(C)noc3n2)n1 ZINC000036618025 569209799 /nfs/dbraw/zinc/20/97/99/569209799.db2.gz FKBXGQGAAVFUAH-UHFFFAOYSA-N 0 0 406.833 4.192 50 30 HIEARN C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C#N)c1 ZINC000007193466 569228125 /nfs/dbraw/zinc/22/81/25/569228125.db2.gz GZZZMAFUBDTPLU-LBPRGKRZSA-N 0 0 414.874 4.293 50 30 HIEARN Cc1oc2cc(OCC(=O)NC3(C#N)CCCC3)ccc2c(=O)c1Oc1ccccc1 ZINC000007245234 569229884 /nfs/dbraw/zinc/22/98/84/569229884.db2.gz IWHODKFUXWQQSK-UHFFFAOYSA-N 0 0 418.449 4.225 50 30 HIEARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007362112 569235324 /nfs/dbraw/zinc/23/53/24/569235324.db2.gz YDLMSLJXSOLSIG-QGZVFWFLSA-N 0 0 423.586 4.369 50 30 HIEARN CC(C)(C)OC(=O)N1CCN(c2oc(-c3cccc4ccccc43)nc2C#N)CC1 ZINC000170623755 569249888 /nfs/dbraw/zinc/24/98/88/569249888.db2.gz BHSXKSBCEXATBQ-UHFFFAOYSA-N 0 0 404.470 4.424 50 30 HIEARN Cc1ccc(-c2cnc(CCC(=O)OCC(=O)N(CCC#N)c3ccccc3)o2)cc1 ZINC000009883269 569251425 /nfs/dbraw/zinc/25/14/25/569251425.db2.gz XPMJYZZDSDFNEW-UHFFFAOYSA-N 0 0 417.465 4.073 50 30 HIEARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C#N)Cc1ccccc1 ZINC000089608838 569261142 /nfs/dbraw/zinc/26/11/42/569261142.db2.gz NEFQFHUUNJZGSK-SFHVURJKSA-N 0 0 407.470 4.313 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000016973095 569269582 /nfs/dbraw/zinc/26/95/82/569269582.db2.gz KORSRGSVPLWDNL-FQEVSTJZSA-N 0 0 415.405 4.081 50 30 HIEARN CCc1c(C)sc(NC(=O)[C@]2(C)CC2(Br)Br)c1C#N ZINC000002103114 569281223 /nfs/dbraw/zinc/28/12/23/569281223.db2.gz BIMPSLGNWGEOPZ-LBPRGKRZSA-N 0 0 406.143 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CCOc1cccc(C=Nc2cc(S(=O)(=O)c3ccccc3)ccc2OC)c1O ZINC000254792252 854215194 /nfs/dbraw/zinc/21/51/94/854215194.db2.gz FJDDJFHADPQCPX-UHFFFAOYSA-N 0 0 411.479 4.383 50 30 HIEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000254836900 854215352 /nfs/dbraw/zinc/21/53/52/854215352.db2.gz VLOBRYZPKMZHCS-LAUBAEHRSA-N 0 0 417.600 4.217 50 30 HIEARN O=C(COc1ccccc1)N=C1N=C2C=CC(Br)=CN2Cc2ccccc21 ZINC000254838957 854215976 /nfs/dbraw/zinc/21/59/76/854215976.db2.gz QJEXPOVETPGPJE-UHFFFAOYSA-N 0 0 422.282 4.059 50 30 HIEARN CCCN1C(=O)[C@H]([C@@H](O)c2ccc(OC)c(OCC)c2)S/C1=N/c1ccccc1 ZINC000100296893 121605091 /nfs/dbraw/zinc/60/50/91/121605091.db2.gz XQCOPZGVLCIBGN-SFEJASTKSA-N 0 0 414.527 4.169 50 30 HIEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000019798085 517524640 /nfs/dbraw/zinc/52/46/40/517524640.db2.gz SMKJLPJLEKBJEK-NRFANRHFSA-N 0 0 410.470 4.439 50 30 HIEARN C=CCN(C(=O)[C@@H](C)Oc1cc(C(F)(F)F)c2c(C)nn(C)c2n1)c1ccccc1 ZINC000045992411 518736166 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HIEARN C=CCn1c(SCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000000706851 519206352 /nfs/dbraw/zinc/20/63/52/519206352.db2.gz SLTVJLPOVPPHRV-UHFFFAOYSA-N 0 0 417.600 4.064 50 30 HIEARN C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000000985717 519228766 /nfs/dbraw/zinc/22/87/66/519228766.db2.gz YDHHOMSNFBQPEE-CYBMUJFWSA-N 0 0 420.600 4.450 50 30 HIEARN C=CCn1c(SCCOc2ccccc2F)nnc1[C@@H]1COc2ccccc2O1 ZINC000032945573 519234761 /nfs/dbraw/zinc/23/47/61/519234761.db2.gz FBIDIESVQAZVGW-IBGZPJMESA-N 0 0 413.474 4.287 50 30 HIEARN C=CCn1c(SCc2nnnn2-c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000009609689 519248651 /nfs/dbraw/zinc/24/86/51/519248651.db2.gz GNNHLZPMDTYZHH-UHFFFAOYSA-N 0 0 409.906 4.053 50 30 HIEARN CC(=O)Nc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 ZINC000013690689 519741363 /nfs/dbraw/zinc/74/13/63/519741363.db2.gz VOEDCYLEIPTHJE-UHFFFAOYSA-N 0 0 424.913 4.139 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007790794 519829134 /nfs/dbraw/zinc/82/91/34/519829134.db2.gz RUCKBIJKEPQJLE-FPTDNZKUSA-N 0 0 422.558 4.296 50 30 HIEARN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000001185181 519902498 /nfs/dbraw/zinc/90/24/98/519902498.db2.gz JZDWXEBMTRVJAD-FOKLQQMPSA-N 0 0 409.914 4.275 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccn1 ZINC000019770279 520497599 /nfs/dbraw/zinc/49/75/99/520497599.db2.gz QDOHZHBCRIYWGA-OSPHWJPCSA-N 0 0 418.493 4.015 50 30 HIEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1cncc(Br)c1 ZINC000028605133 520514959 /nfs/dbraw/zinc/51/49/59/520514959.db2.gz ROWOJLMSGUMJDN-FXBPSFAMSA-N 0 0 404.333 4.368 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2CC)SC(=Cc2cc(O)ccc2O)C1=O ZINC000036301464 520538558 /nfs/dbraw/zinc/53/85/58/520538558.db2.gz MZBKOWCSDKPOIG-LDADJPATSA-N 0 0 411.479 4.204 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2cc(OC)ccc2O)C1=O ZINC000036258177 520539140 /nfs/dbraw/zinc/53/91/40/520539140.db2.gz JLHREXQHUKYYMC-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000036257944 520540704 /nfs/dbraw/zinc/54/07/04/520540704.db2.gz IPZHZGGUROBGRI-LICLKQGHSA-N 0 0 413.426 4.098 50 30 HIEARN CCOc1cc(Br)cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c1O ZINC000009296652 520651294 /nfs/dbraw/zinc/65/12/94/520651294.db2.gz DSBUFQAVAXLXMZ-OQLLNIDSSA-N 0 0 419.300 4.445 50 30 HIEARN CCC[C@@H](C)Nc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032829257 520668535 /nfs/dbraw/zinc/66/85/35/520668535.db2.gz FGYVZIDPHMFQSJ-AUUYWEPGSA-N 0 0 412.490 4.408 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000019818132 520827371 /nfs/dbraw/zinc/82/73/71/520827371.db2.gz QOTIIPXSRFIXCT-QHCPKHFHSA-N 0 0 417.461 4.127 50 30 HIEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000036093491 520896855 /nfs/dbraw/zinc/89/68/55/520896855.db2.gz FOXYDHCYCFBZHT-DZRHBTRISA-N 0 0 424.570 4.395 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(F)cc2)c(C)n1 ZINC000032973052 521650786 /nfs/dbraw/zinc/65/07/86/521650786.db2.gz QLURJVQZHSZBDG-UHFFFAOYSA-N 0 0 411.456 4.278 50 30 HIEARN COc1cc(C=NN2C(=S)N=NC2c2cccnc2)ccc1OCc1ccccc1 ZINC000001295086 522000915 /nfs/dbraw/zinc/00/09/15/522000915.db2.gz XGGWVXHPUUDOEO-ZMOGYAJESA-N 0 0 417.494 4.099 50 30 HIEARN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)C ZINC000020568844 522915386 /nfs/dbraw/zinc/91/53/86/522915386.db2.gz LRVZFGFURDUUSP-JOCHJYFZSA-N 0 0 413.514 4.402 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2ccccc2OC)c1C ZINC000032971801 523640469 /nfs/dbraw/zinc/64/04/69/523640469.db2.gz MLQBGXNHHJXJCW-UHFFFAOYSA-N 0 0 423.492 4.066 50 30 HIEARN Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)C=Cc3ccco3)c3ccccc32)c1 ZINC000033881883 524101923 /nfs/dbraw/zinc/10/19/23/524101923.db2.gz OZZDUYPYFAEULX-OKFWSBNLSA-N 0 0 401.462 4.303 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000019536026 524108609 /nfs/dbraw/zinc/10/86/09/524108609.db2.gz VZYFCBBWEMSOEI-HSZRJFAPSA-N 0 0 403.478 4.407 50 30 HIEARN COc1ccc(Nc2nc(NC[C@H]3CCCO3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000020590668 524719257 /nfs/dbraw/zinc/71/92/57/524719257.db2.gz AIPLUZYSZXIDGI-QGZVFWFLSA-N 0 0 408.502 4.148 50 30 HIEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1O ZINC000100003698 525341998 /nfs/dbraw/zinc/34/19/98/525341998.db2.gz OHGUZBCLDFOJCT-FQEVSTJZSA-N 0 0 414.498 4.260 50 30 HIEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)cc1O ZINC000033321224 525437803 /nfs/dbraw/zinc/43/78/03/525437803.db2.gz VJHVMYJCFDPMKZ-PEBXRYMYSA-N 0 0 418.449 4.361 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N[C@H](C)C(C)C)cc1 ZINC000032828929 525627616 /nfs/dbraw/zinc/62/76/16/525627616.db2.gz IRAUCLBUVJSYKU-OXQOHEQNSA-N 0 0 408.527 4.433 50 30 HIEARN Cc1ccc(C(=NC(=S)Nc2ccccc2)NCS(=O)(=O)c2ccccc2)cc1 ZINC000013303172 525939151 /nfs/dbraw/zinc/93/91/51/525939151.db2.gz CODJWUDUSBKLMS-UHFFFAOYSA-N 0 0 423.563 4.160 50 30 HIEARN C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036023206 526010842 /nfs/dbraw/zinc/01/08/42/526010842.db2.gz JMGHUWGHODGRLD-MKVLZVNKSA-N 0 0 410.465 4.195 50 30 HIEARN Cc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1 ZINC000036834886 526091661 /nfs/dbraw/zinc/09/16/61/526091661.db2.gz NGMCJGBAYSIGNO-CPNJWEJPSA-N 0 0 419.502 4.331 50 30 HIEARN Cc1cc(=N)n(C(=NCc2ccc3c(c2)OCO3)Nc2ccc(F)c(Cl)c2)s1 ZINC000020343762 526097617 /nfs/dbraw/zinc/09/76/17/526097617.db2.gz ONGAPIUMDHUMIA-UHFFFAOYSA-N 0 0 418.881 4.184 50 30 HIEARN N#Cc1cc2c(N)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)sc2nc1N ZINC000020065536 526579130 /nfs/dbraw/zinc/57/91/30/526579130.db2.gz ROXCYIXPXBOEDS-UHFFFAOYSA-N 0 0 411.796 4.257 50 30 HIEARN N#Cc1nc(-c2cccs2)oc1NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000027792962 526786487 /nfs/dbraw/zinc/78/64/87/526786487.db2.gz DUKONWZMAHXPCZ-QGZVFWFLSA-N 0 0 414.918 4.414 50 30 HIEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3)C12 ZINC000013124503 527032455 /nfs/dbraw/zinc/03/24/55/527032455.db2.gz BJKOCRSVLPCKDM-PXAZEXFGSA-N 0 0 400.360 4.306 50 30 HIEARN O=[N+]([O-])c1ccc(CN=Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)cc1 ZINC000031829089 527345959 /nfs/dbraw/zinc/34/59/59/527345959.db2.gz BRXOQAUJWFLEKZ-OYKKKHCWSA-N 0 0 423.436 4.382 50 30 HIEARN O=c1c(C=[NH+]C[C@@H]2CCCO2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000100700308 527449229 /nfs/dbraw/zinc/44/92/29/527449229.db2.gz WSIPWESFQQVGQE-YQCVNYCESA-N 0 0 404.495 4.040 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(C)cc1)Nc1cccc(C)c1 ZINC000032973608 527622166 /nfs/dbraw/zinc/62/21/66/527622166.db2.gz DCEGPGJWYUAWEO-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1cccc(C)c1 ZINC000032973604 527622460 /nfs/dbraw/zinc/62/24/60/527622460.db2.gz BGETVZJJCCVXDJ-UHFFFAOYSA-N 0 0 417.557 4.403 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccccc1F ZINC000032972354 527628838 /nfs/dbraw/zinc/62/88/38/527628838.db2.gz SJMRSCIMNWJRKC-UHFFFAOYSA-N 0 0 413.884 4.228 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1OC ZINC000000677314 557053446 /nfs/dbraw/zinc/05/34/46/557053446.db2.gz RNJDNAAMVTVTEL-HXUWFJFHSA-N 0 0 413.514 4.259 50 30 HIEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccccc2)s1 ZINC000000702444 557062433 /nfs/dbraw/zinc/06/24/33/557062433.db2.gz QSSHWUMBRYWKID-GOSISDBHSA-N 0 0 405.479 4.246 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)o1 ZINC000000702719 557062454 /nfs/dbraw/zinc/06/24/54/557062454.db2.gz SCVYCUGZQKPNPE-FQEVSTJZSA-N 0 0 406.438 4.026 50 30 HIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc21 ZINC000000729386 557074447 /nfs/dbraw/zinc/07/44/47/557074447.db2.gz ONOKTFYAQLOIIC-ZTHZXAOBSA-N 0 0 401.466 4.399 50 30 HIEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1 ZINC000000805496 557086259 /nfs/dbraw/zinc/08/62/59/557086259.db2.gz AZAXMERSNJHICW-QFIPXVFZSA-N 0 0 419.477 4.247 50 30 biogenic HIEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 ZINC000000849100 557100452 /nfs/dbraw/zinc/10/04/52/557100452.db2.gz FDHVPWGXQWGQEY-HLGQQVFSSA-N 0 0 417.918 4.247 50 30 HIEARN CCOc1cc(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O ZINC000000888112 557111689 /nfs/dbraw/zinc/11/16/89/557111689.db2.gz DSAPWCPUEHBJJY-FYJGNVAPSA-N 0 0 405.292 4.141 50 30 HIEARN COC(=O)c1sccc1-c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)o1 ZINC000001039475 557152347 /nfs/dbraw/zinc/15/23/47/557152347.db2.gz PNTRZGHEKWZAGO-UHFFFAOYSA-N 0 0 423.490 4.496 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 ZINC000001157580 557215303 /nfs/dbraw/zinc/21/53/03/557215303.db2.gz HLEDPDLGRBLIAG-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000002055232 557302189 /nfs/dbraw/zinc/30/21/89/557302189.db2.gz INPLDSGPZUCKLY-OAQYLSRUSA-N 0 0 413.514 4.348 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000002185571 557324231 /nfs/dbraw/zinc/32/42/31/557324231.db2.gz HKLFTVOXFHVUHI-NTKDMRAZSA-N 0 0 415.489 4.483 50 30 HIEARN Cc1cccn2c(=O)c(/C=N/CCc3ccccc3)c(NCCc3ccccc3)nc12 ZINC000002279262 557333841 /nfs/dbraw/zinc/33/38/41/557333841.db2.gz BJSDGRVDJIZOBY-ZXVVBBHZSA-N 0 0 410.521 4.319 50 30 HIEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000002573658 557357364 /nfs/dbraw/zinc/35/73/64/557357364.db2.gz KYHGFCQBDPTFDO-HXUWFJFHSA-N 0 0 417.509 4.062 50 30 HIEARN CCc1ccccc1NC(=O)[C@H]1CC(=O)N=C(Nc2cc(OC)ccc2OC)S1 ZINC000002594750 557359202 /nfs/dbraw/zinc/35/92/02/557359202.db2.gz SWTQDFVCSHFBOT-GOSISDBHSA-N 0 0 413.499 4.354 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 ZINC000002775769 557385454 /nfs/dbraw/zinc/38/54/54/557385454.db2.gz SQFIAUYNJPBTQW-QHCPKHFHSA-N 0 0 421.468 4.416 50 30 HIEARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002820117 557396029 /nfs/dbraw/zinc/39/60/29/557396029.db2.gz RFDUGSHJOSNZTE-FQEVSTJZSA-N 0 0 403.544 4.320 50 30 HIEARN COc1ccccc1C(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000004343688 557544287 /nfs/dbraw/zinc/54/42/87/557544287.db2.gz IZNBNNQHEVGAHF-UHFFFAOYSA-N 0 0 410.289 4.497 50 30 HIEARN COC(=O)c1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000004413740 557553031 /nfs/dbraw/zinc/55/30/31/557553031.db2.gz UVYRALBNWUNAAQ-NRFANRHFSA-N 0 0 405.450 4.403 50 30 HIEARN COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)cc1 ZINC000004712941 557585937 /nfs/dbraw/zinc/58/59/37/557585937.db2.gz DMRLKRJDAJNMDH-IQZBWDKASA-N 0 0 405.479 4.369 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(SC)cc2)cc1OC ZINC000004914333 557613412 /nfs/dbraw/zinc/61/34/12/557613412.db2.gz KHSWXJNFRHQXBI-AEFFLSMTSA-N 0 0 423.534 4.430 50 30 HIEARN CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004914384 557613421 /nfs/dbraw/zinc/61/34/21/557613421.db2.gz OYTZERAPCULBGO-RBUKOAKNSA-N 0 0 405.494 4.271 50 30 HIEARN C[C@H](Oc1cccc(Cl)c1)C(=O)ONC(=N)Cc1ccc(Cl)cc1Cl ZINC000004985877 557620895 /nfs/dbraw/zinc/62/08/95/557620895.db2.gz HAUCRSAQCWMFNW-JTQLQIEISA-N 0 0 401.677 4.472 50 30 HIEARN COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 ZINC000004986697 557621059 /nfs/dbraw/zinc/62/10/59/557621059.db2.gz RAUCGKCPWJOWJA-DYVFJYSZSA-N 0 0 411.885 4.362 50 30 HIEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(O)cc2)ccc1OC(C)C ZINC000004987500 557621689 /nfs/dbraw/zinc/62/16/89/557621689.db2.gz LKLJAPZEVIUZPQ-PKOBYXMFSA-N 0 0 421.493 4.192 50 30 HIEARN COc1ccc(C2(CN=Nc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000005005716 557624499 /nfs/dbraw/zinc/62/44/99/557624499.db2.gz VTTWIBBCISYPEG-FYJGNVAPSA-N 0 0 414.418 4.430 50 30 HIEARN C=CCN1C(=O)[C@H](Cc2cccc(C)c2)S/C1=N/N=C/c1ccc(OC)c(OC)c1 ZINC000005048832 557629945 /nfs/dbraw/zinc/62/99/45/557629945.db2.gz BQEVMVDWMAQWLS-PTHMFHIQSA-N 0 0 423.538 4.075 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000005446105 557654380 /nfs/dbraw/zinc/65/43/80/557654380.db2.gz SXBYEFAMXCFKMV-QFIPXVFZSA-N 0 0 415.445 4.492 50 30 HIEARN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c1 ZINC000005812715 557675769 /nfs/dbraw/zinc/67/57/69/557675769.db2.gz UXVFBPQEULIQRE-QFIPXVFZSA-N 0 0 414.461 4.177 50 30 HIEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1OC ZINC000006819546 557725085 /nfs/dbraw/zinc/72/50/85/557725085.db2.gz MUVIQNKLKDPARV-GOEBONIOSA-N 0 0 411.885 4.362 50 30 HIEARN COC(=O)c1c2c(sc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCCC2 ZINC000002737717 557751764 /nfs/dbraw/zinc/75/17/64/557751764.db2.gz RYOIQLXGSXRZOG-UHFFFAOYSA-N 0 0 407.307 4.185 50 30 HIEARN C=CCNC(=O)c1cc2c(n(-c3ccc(Cl)c(Cl)c3)c1=O)CC(C)(C)CC2=O ZINC000002809780 557767737 /nfs/dbraw/zinc/76/77/37/557767737.db2.gz GYRHVCJMUUWUCE-UHFFFAOYSA-N 0 0 419.308 4.215 50 30 HIEARN C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1OCC ZINC000008451876 557790910 /nfs/dbraw/zinc/79/09/10/557790910.db2.gz DPAJCAIQGNCRFS-BRBBDLJVSA-N 0 0 422.506 4.340 50 30 HIEARN CSc1nn(-c2ccccc2)cc1C(=N)NOC(=O)c1ccc(Cl)cc1Cl ZINC000008648504 557798429 /nfs/dbraw/zinc/79/84/29/557798429.db2.gz KZQOQDSNVUUCJD-UHFFFAOYSA-N 0 0 421.309 4.378 50 30 HIEARN COc1ccc(-c2cnnc(N=NCc3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 ZINC000008683211 557799952 /nfs/dbraw/zinc/79/99/52/557799952.db2.gz SRWRLIUIYORIFS-FSJBWODESA-N 0 0 419.876 4.141 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 ZINC000009045395 557820369 /nfs/dbraw/zinc/82/03/69/557820369.db2.gz AXWQNCWUNQJPTH-KRWDZBQOSA-N 0 0 416.246 4.353 50 30 HIEARN Cc1ccc(NC(=O)[C@H](C)ON=C(N)c2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000097571214 557830586 /nfs/dbraw/zinc/83/05/86/557830586.db2.gz VZGZLYRJTIKABB-KRWDZBQOSA-N 0 0 421.472 4.377 50 30 HIEARN Cc1ccc(NC(=O)[C@@H](C)ON=C(N)c2ccc(OCc3ccccc3)cc2)c(F)c1 ZINC000097571213 557830635 /nfs/dbraw/zinc/83/06/35/557830635.db2.gz VZGZLYRJTIKABB-QGZVFWFLSA-N 0 0 421.472 4.377 50 30 HIEARN CCOC(=O)Cn1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc21 ZINC000009261264 557833320 /nfs/dbraw/zinc/83/33/20/557833320.db2.gz ORZQIXCOLNRLLW-YBFXNURJSA-N 0 0 423.469 4.235 50 30 HIEARN O=C1c2ccccc2C2=Nc3ccccc3S(=O)(=O)[C@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000009553938 557845454 /nfs/dbraw/zinc/84/54/54/557845454.db2.gz LJYYHZMACCBZER-JOCHJYFZSA-N 0 0 418.430 4.143 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003073721 558259420 /nfs/dbraw/zinc/25/94/20/558259420.db2.gz PAFORFODQVWLDI-JOCHJYFZSA-N 0 0 408.542 4.312 50 30 HIEARN C[C@@H]1CCO[P@](=O)([C@@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000019800742 558285615 /nfs/dbraw/zinc/28/56/15/558285615.db2.gz FQVNDEYXCYMBGZ-FGVQXUMUSA-N 0 0 423.638 4.107 50 30 HIEARN C#CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Cl ZINC000019804587 558285881 /nfs/dbraw/zinc/28/58/81/558285881.db2.gz MWGCXBLVVMLKLY-FQEVSTJZSA-N 0 0 419.864 4.093 50 30 HIEARN O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 ZINC000019818259 558288597 /nfs/dbraw/zinc/28/85/97/558288597.db2.gz AXJIVBDTOCJGRI-PNHLSOANSA-N 0 0 414.484 4.073 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccncc1 ZINC000019830827 558291440 /nfs/dbraw/zinc/29/14/40/558291440.db2.gz BKMFVQKUGFSMRM-FDDCHVKYSA-N 0 0 418.493 4.015 50 30 HIEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000019898454 558304315 /nfs/dbraw/zinc/30/43/15/558304315.db2.gz CUVOUHXXDTVHJD-YBEGLDIGSA-N 0 0 404.388 4.073 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000019898391 558304403 /nfs/dbraw/zinc/30/44/03/558304403.db2.gz JAVVBGNXWZUGRM-AOMKIAJQSA-N 0 0 418.449 4.129 50 30 HIEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000020028890 558323070 /nfs/dbraw/zinc/32/30/70/558323070.db2.gz CEKHGIBJWAYNJI-HSZRJFAPSA-N 0 0 421.585 4.369 50 30 HIEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NC1CCCC1 ZINC000020503235 558380934 /nfs/dbraw/zinc/38/09/34/558380934.db2.gz OASXAPUTGSRTKR-XMMPIXPASA-N 0 0 405.498 4.319 50 30 HIEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nncn3C)sc2C1 ZINC000010800094 558454304 /nfs/dbraw/zinc/45/43/04/558454304.db2.gz UCRNLRUUYOZBSD-LBPRGKRZSA-N 0 0 403.577 4.020 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1cccnc1 ZINC000013003606 558501368 /nfs/dbraw/zinc/50/13/68/558501368.db2.gz XGQDZOFQHOMEGP-LJQANCHMSA-N 0 0 403.511 4.447 50 30 HIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3)C12 ZINC000013124501 558518242 /nfs/dbraw/zinc/51/82/42/558518242.db2.gz BJKOCRSVLPCKDM-SJCJKPOMSA-N 0 0 400.360 4.306 50 30 HIEARN CC(=O)C1=C(c2ccccc2)N(C(C)=O)n2c(nnc2-c2ccc(Cl)cc2)S1 ZINC000004518264 558642059 /nfs/dbraw/zinc/64/20/59/558642059.db2.gz ILKAZOPFWXJXIV-UHFFFAOYSA-N 0 0 410.886 4.147 50 30 HIEARN Cc1nc2cc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1 ZINC000010992626 558645811 /nfs/dbraw/zinc/64/58/11/558645811.db2.gz QOSCUQMYZRBOIM-INIZCTEOSA-N 0 0 424.460 4.390 50 30 HIEARN CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000004538178 558661235 /nfs/dbraw/zinc/66/12/35/558661235.db2.gz GCGXEURJFYTODY-NRFANRHFSA-N 0 0 418.449 4.242 50 30 HIEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000004538188 558661280 /nfs/dbraw/zinc/66/12/80/558661280.db2.gz OHMKVEWWMYBGEC-OAQYLSRUSA-N 0 0 416.433 4.018 50 30 HIEARN C=CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000027571027 558675191 /nfs/dbraw/zinc/67/51/91/558675191.db2.gz BMVRUXXOBHMJIC-OAQYLSRUSA-N 0 0 417.461 4.001 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000015836824 558755960 /nfs/dbraw/zinc/75/59/60/558755960.db2.gz FRIRHACJHQDQRN-NRFANRHFSA-N 0 0 421.428 4.341 50 30 HIEARN C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002457567 558798286 /nfs/dbraw/zinc/79/82/86/558798286.db2.gz GZWYHIUNRUJTQU-JOCHJYFZSA-N 0 0 423.469 4.116 50 30 HIEARN C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000060163534 558808958 /nfs/dbraw/zinc/80/89/58/558808958.db2.gz IJBQFFSRHDZDOE-XMMPIXPASA-N 0 0 414.480 4.349 50 30 HIEARN O=S(=O)(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000017091678 558820213 /nfs/dbraw/zinc/82/02/13/558820213.db2.gz VTNQTHCSYMLVQX-YDZHTSKRSA-N 0 0 418.877 4.371 50 30 HIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000017822305 558828090 /nfs/dbraw/zinc/82/80/90/558828090.db2.gz XBKXINSIFPYBIB-OAQYLSRUSA-N 0 0 411.498 4.363 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)cc1OC ZINC000013653617 558850923 /nfs/dbraw/zinc/85/09/23/558850923.db2.gz HUCXPTHXJYNIBP-XKZIYDEJSA-N 0 0 409.482 4.258 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)cc1 ZINC000013692664 558856118 /nfs/dbraw/zinc/85/61/18/558856118.db2.gz CCSZJIFWIJLNKG-UUYOSTAYSA-N 0 0 400.434 4.059 50 30 HIEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 ZINC000068713120 558864328 /nfs/dbraw/zinc/86/43/28/558864328.db2.gz MQPJOWOYLZIOAZ-BREAQWACSA-N 0 0 407.853 4.340 50 30 HIEARN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000004672290 558886190 /nfs/dbraw/zinc/88/61/90/558886190.db2.gz YVCIGSSUXLZKMG-ODLFYWEKSA-N 0 0 410.520 4.367 50 30 HIEARN O=S(=O)(NCc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000071415920 558897728 /nfs/dbraw/zinc/89/77/28/558897728.db2.gz ZAYUMAOUIJPPMJ-UHFFFAOYSA-N 0 0 401.303 4.342 50 30 HIEARN COc1ccc2c(c1)CCCN2CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000022015322 558984159 /nfs/dbraw/zinc/98/41/59/558984159.db2.gz QGFIWYYDDBMKTM-UHFFFAOYSA-N 0 0 418.497 4.018 50 30 HIEARN COc1ccc(O)c(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1 ZINC000011565678 559110349 /nfs/dbraw/zinc/11/03/49/559110349.db2.gz MCKBKRJEIMFOSH-LSHDLFTRSA-N 0 0 423.450 4.085 50 30 HIEARN CCN=C(Nc1ccc(C)c(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000096471169 559110551 /nfs/dbraw/zinc/11/05/51/559110551.db2.gz JSGSBCOYRBKSDG-KRWDZBQOSA-N 0 0 401.919 4.311 50 30 HIEARN COc1ccc(/C=C2\S/C(=N/c3ccc(Br)cc3)N(C)C2=O)cc1O ZINC000100291140 559193138 /nfs/dbraw/zinc/19/31/38/559193138.db2.gz UGKXGFRKLLENGN-NIQTYAIASA-N 0 0 419.300 4.397 50 30 HIEARN C=CCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 ZINC000004869531 559193980 /nfs/dbraw/zinc/19/39/80/559193980.db2.gz JPMPSKNWFQRPPE-OQKWZONESA-N 0 0 419.550 4.352 50 30 HIEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccnc2)nc1 ZINC000005092866 559244048 /nfs/dbraw/zinc/24/40/48/559244048.db2.gz HJHHFFUSYQZFEB-NRFANRHFSA-N 0 0 402.498 4.028 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)cc1 ZINC000005100278 559244911 /nfs/dbraw/zinc/24/49/11/559244911.db2.gz METFVEQLPDBOOE-UWJYYQICSA-N 0 0 420.538 4.213 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c3ccccc3[nH]c2c1=O ZINC000005106760 559245953 /nfs/dbraw/zinc/24/59/53/559245953.db2.gz ABPVSKSGBIDMOX-UHFFFAOYSA-N 0 0 418.522 4.411 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)N[C@H](c3cccs3)c3ccccc3)CC2)nc1 ZINC000024149350 559274350 /nfs/dbraw/zinc/27/43/50/559274350.db2.gz PQHLONYDQJOOIF-QFIPXVFZSA-N 0 0 402.523 4.137 50 30 HIEARN CC1CCN(S(=O)(=O)c2ccc(N=Cc3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000252462477 559277302 /nfs/dbraw/zinc/27/73/02/559277302.db2.gz SONMJESTCBEUTI-UHFFFAOYSA-N 0 0 421.906 4.419 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C ZINC000252606676 559278631 /nfs/dbraw/zinc/27/86/31/559278631.db2.gz GUIYNSUCQRIVOU-GOSISDBHSA-N 0 0 424.482 4.050 50 30 HIEARN Cc1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C#N)c1C ZINC000005184668 559290606 /nfs/dbraw/zinc/29/06/06/559290606.db2.gz DTSLMNYJMSKCAY-UHFFFAOYSA-N 0 0 411.508 4.290 50 30 HIEARN CSc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005205648 560539344 /nfs/dbraw/zinc/53/93/44/560539344.db2.gz KLJUEGBQOJNGPH-LHSJRXKWSA-N 0 0 404.495 4.121 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O ZINC000005212680 560542595 /nfs/dbraw/zinc/54/25/95/560542595.db2.gz QUSRVYAKTFVPAZ-DVOMOZLQSA-N 0 0 419.616 4.294 50 30 HIEARN CCOc1cc(C(=O)C=C2NCCc3cc(OC)c(OC)cc32)ccc1OC(F)F ZINC000005321445 560568258 /nfs/dbraw/zinc/56/82/58/560568258.db2.gz VWVAMRPSIPVVKW-VBKFSLOCSA-N 0 0 419.424 4.073 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000005347460 560570646 /nfs/dbraw/zinc/57/06/46/560570646.db2.gz MNMFMNWMGBECNG-IBGZPJMESA-N 0 0 412.424 4.462 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccccc1OC ZINC000002616334 560585795 /nfs/dbraw/zinc/58/57/95/560585795.db2.gz CRCQBYIYDYCHLE-UHFFFAOYSA-N 0 0 401.438 4.393 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005446058 560588234 /nfs/dbraw/zinc/58/82/34/560588234.db2.gz RPXLYXKELRGIKK-ICSRJNTNSA-N 0 0 411.885 4.406 50 30 HIEARN C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1 ZINC000005639022 560635936 /nfs/dbraw/zinc/63/59/36/560635936.db2.gz AFOWQJKWXSDMGY-UYRXBGFRSA-N 0 0 402.479 4.243 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 ZINC000009327746 560758614 /nfs/dbraw/zinc/75/86/14/560758614.db2.gz CCGAPELLLUTCAR-GFCCVEGCSA-N 0 0 411.512 4.453 50 30 HIEARN CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100973895 560765129 /nfs/dbraw/zinc/76/51/29/560765129.db2.gz YAVDAUZIYHNFJC-SWTGTHOSSA-N 0 0 406.916 4.021 50 30 HIEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 ZINC000018045459 560774364 /nfs/dbraw/zinc/77/43/64/560774364.db2.gz ZECVLFSFNCSXGV-DVCONVQISA-N 0 0 417.918 4.329 50 30 HIEARN COc1ccc(N=Nc2c(=O)n(-c3ccc(C)cc3)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000018193935 560782239 /nfs/dbraw/zinc/78/22/39/560782239.db2.gz PZVXIXCLPCAJMR-WNAAXNPUSA-N 0 0 414.465 4.231 50 30 HIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cc(Cl)ccc1O ZINC000018195869 560782454 /nfs/dbraw/zinc/78/24/54/560782454.db2.gz SJBJUHKQTOIASJ-GOSISDBHSA-N 0 0 407.857 4.089 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cccs2)cc1OC ZINC000018197301 560782810 /nfs/dbraw/zinc/78/28/10/560782810.db2.gz ZHOZOQWYAGXZRX-BUXKBTBVSA-N 0 0 423.494 4.152 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccn4)nn3[C@@H](c3ccccc3F)C12 ZINC000018198883 560783635 /nfs/dbraw/zinc/78/36/35/560783635.db2.gz YOTAFCHIOLBLPT-IBGZPJMESA-N 0 0 407.474 4.127 50 30 HIEARN CCCCc1ccc(N2/C(=N\C(=O)C(CC)CC)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101459516 560794894 /nfs/dbraw/zinc/79/48/94/560794894.db2.gz MFVPAAJCWBLOPQ-YTCPRFGJSA-N 0 0 422.616 4.067 50 30 HIEARN CCc1ccccc1NC1=C(C(=O)OC)C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)S1 ZINC000101590838 560797279 /nfs/dbraw/zinc/79/72/79/560797279.db2.gz NHNHCOAIBNYOSD-SFQUDFHCSA-N 0 0 410.451 4.311 50 30 HIEARN Cc1ccc2c(c1)C(=O)NC1=C(c3nc(-c4ccc(Cl)cc4)cs3)C(=O)CN12 ZINC000102135460 560808026 /nfs/dbraw/zinc/80/80/26/560808026.db2.gz DGMUYWLWABPNCP-UHFFFAOYSA-N 0 0 407.882 4.273 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102601037 560817737 /nfs/dbraw/zinc/81/77/37/560817737.db2.gz HWQSWXPVLPBKQZ-NHFXJNLRSA-N 0 0 418.405 4.118 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102601032 560817760 /nfs/dbraw/zinc/81/77/60/560817760.db2.gz HWQSWXPVLPBKQZ-YDJIHCHBSA-N 0 0 418.405 4.118 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102648898 560818962 /nfs/dbraw/zinc/81/89/62/560818962.db2.gz RBYWEWXYPCHRBH-JBCNATCCSA-N 0 0 402.425 4.151 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)ccc2O1 ZINC000102771423 560825269 /nfs/dbraw/zinc/82/52/69/560825269.db2.gz ZHYAMNDNASALDO-LBHAWFSUSA-N 0 0 418.474 4.093 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102875911 560830660 /nfs/dbraw/zinc/83/06/60/560830660.db2.gz FTGFLBUJVUXGOK-YDJIHCHBSA-N 0 0 420.852 4.370 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102879326 560833563 /nfs/dbraw/zinc/83/35/63/560833563.db2.gz VYWXBKVYQTXKDL-YDJIHCHBSA-N 0 0 422.843 4.496 50 30 HIEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102927802 560834593 /nfs/dbraw/zinc/83/45/93/560834593.db2.gz YDGNUHQXDZVIGP-MOBKVPTQSA-N 0 0 421.493 4.018 50 30 HIEARN O=c1c(C=[NH+]Cc2ccncc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000104296176 560850258 /nfs/dbraw/zinc/85/02/58/560850258.db2.gz SVJAZSYQTKXLEZ-AUEPDCJTSA-N 0 0 403.389 4.221 50 30 HIEARN Cc1snc(SCc2nc(COc3cccc(C(F)(F)F)c3)n[nH]2)c1C#N ZINC000005721520 560853864 /nfs/dbraw/zinc/85/38/64/560853864.db2.gz QZKVSTBNDAXZRO-UHFFFAOYSA-N 0 0 411.434 4.331 50 30 HIEARN O=c1c(C=[NH+]Cc2ccccc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000136862187 560860411 /nfs/dbraw/zinc/86/04/11/560860411.db2.gz KJYUSZSMOHAISM-FOKLQQMPSA-N 0 0 402.401 4.413 50 30 HIEARN CCCCOc1ccc(C(=O)C=CNc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 ZINC000044843071 560897608 /nfs/dbraw/zinc/89/76/08/560897608.db2.gz OJJNVAOUBYNGLN-ZHACJKMWSA-N 0 0 411.454 4.247 50 30 HIEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000046010617 568423297 /nfs/dbraw/zinc/42/32/97/568423297.db2.gz IWUNLMOMRIPSFL-UHFFFAOYSA-N 0 0 406.211 4.326 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccccn2)c1 ZINC000046125975 568428599 /nfs/dbraw/zinc/42/85/99/568428599.db2.gz YCABNMRCRWNXTF-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN CCc1ccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccccn2)cc1 ZINC000046127005 568428818 /nfs/dbraw/zinc/42/88/18/568428818.db2.gz KIPLHCBVCOTSEK-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(Cl)cc2C)c1 ZINC000046128569 568429020 /nfs/dbraw/zinc/42/90/20/568429020.db2.gz QYNDGBLXWONUKD-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCCO1 ZINC000046129931 568429190 /nfs/dbraw/zinc/42/91/90/568429190.db2.gz QZSCZTXUOCFFOA-AWEZNQCLSA-N 0 0 407.848 4.304 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NC[C@H]2CCCO2)cc1 ZINC000046130949 568429295 /nfs/dbraw/zinc/42/92/95/568429295.db2.gz GGCJFQNYWDQGKW-OAQYLSRUSA-N 0 0 409.530 4.370 50 30 HIEARN CC(C)c1ccc(NC(=NC(=O)c2cccc(N(C)C)c2)NC[C@H]2CCCO2)cc1 ZINC000046130600 568429313 /nfs/dbraw/zinc/42/93/13/568429313.db2.gz MELYDEPZLSIVCE-JOCHJYFZSA-N 0 0 408.546 4.253 50 30 HIEARN Cc1cccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NC[C@H]2CCCO2)c1 ZINC000046130452 568429317 /nfs/dbraw/zinc/42/93/17/568429317.db2.gz RYYBMLIZCGXKGJ-GOSISDBHSA-N 0 0 405.420 4.391 50 30 HIEARN O=C(N=C(NC[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000046133077 568430296 /nfs/dbraw/zinc/43/02/96/568430296.db2.gz ZQFJDYNTZKSJSJ-QGZVFWFLSA-N 0 0 409.383 4.221 50 30 HIEARN CCOC(=O)c1cc(C#N)c(SCc2nc3ccccc3n2C(F)F)nc1C ZINC000014902829 568454475 /nfs/dbraw/zinc/45/44/75/568454475.db2.gz NSZSPGVBVBAVOH-UHFFFAOYSA-N 0 0 402.426 4.476 50 30 HIEARN Cc1c(C#N)c(NC(=O)/C=C/c2ccc(Br)cc2)sc1C(=O)N(C)C ZINC000000656147 568459607 /nfs/dbraw/zinc/45/96/07/568459607.db2.gz XQOVZDYHRZDZCP-RMKNXTFCSA-N 0 0 418.316 4.044 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccnc1 ZINC000000718640 568465866 /nfs/dbraw/zinc/46/58/66/568465866.db2.gz JWYFYPPRZCPMOX-UHFFFAOYSA-N 0 0 419.432 4.276 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(F)c3F)C2)cc1 ZINC000012321595 568471021 /nfs/dbraw/zinc/47/10/21/568471021.db2.gz WYTHGOMKZLPFOR-ODXCJYRJSA-N 0 0 424.407 4.336 50 30 HIEARN C=CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000007151123 568472562 /nfs/dbraw/zinc/47/25/62/568472562.db2.gz LKKVXKNXTMWISF-LJQANCHMSA-N 0 0 408.502 4.382 50 30 HIEARN C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Br)cc1 ZINC000002877154 568511346 /nfs/dbraw/zinc/51/13/46/568511346.db2.gz FTUVZZUCPLVBGL-UHFFFAOYSA-N 0 0 419.344 4.237 50 30 HIEARN Cc1cccc(NC(=O)C(N=Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2)c1 ZINC000095011307 568593928 /nfs/dbraw/zinc/59/39/28/568593928.db2.gz DDTAVQMIIPRWJN-YYADALCUSA-N 0 0 401.422 4.013 50 30 HIEARN N#CC[C@H](CC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 ZINC000225413592 568635449 /nfs/dbraw/zinc/63/54/49/568635449.db2.gz NINTXUMZZARCEJ-HXUWFJFHSA-N 0 0 404.510 4.473 50 30 HIEARN CCOC(=O)c1c(C#N)c(SCc2ccc(Cl)cc2)nc2c1CN(CC)CC2 ZINC000020813725 568644283 /nfs/dbraw/zinc/64/42/83/568644283.db2.gz POGPRMCMUBHLMU-UHFFFAOYSA-N 0 0 415.946 4.454 50 30 HIEARN C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1Cc1ccco1 ZINC000095953387 568668331 /nfs/dbraw/zinc/66/83/31/568668331.db2.gz MRMKPJPJPJBBSS-CQSZACIVSA-N 0 0 413.528 4.044 50 30 HIEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3cccc(O)c3)C12 ZINC000012408476 568712283 /nfs/dbraw/zinc/71/22/83/568712283.db2.gz HXCJKMHYFJPUII-BFUOFWGJSA-N 0 0 408.845 4.408 50 30 HIEARN Cc1ccccc1-c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C ZINC000000869074 568713622 /nfs/dbraw/zinc/71/36/22/568713622.db2.gz MSCJBUWOSHNZTL-UHFFFAOYSA-N 0 0 423.567 4.333 50 30 HIEARN Cc1cccc(C(=O)N2CCN(c3oc(-c4cccc(Cl)c4)nc3C#N)CC2)c1 ZINC000012418373 568718784 /nfs/dbraw/zinc/71/87/84/568718784.db2.gz SYOMTUKSRXJYAU-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)c(Br)cc1O ZINC000096298115 568722721 /nfs/dbraw/zinc/72/27/21/568722721.db2.gz OVILUROYSWXSHX-WAYWQWQTSA-N 0 0 418.243 4.016 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)cc1 ZINC000012442665 568724816 /nfs/dbraw/zinc/72/48/16/568724816.db2.gz RODDZIMNZGTEDK-JJFYIABZSA-N 0 0 400.434 4.059 50 30 HIEARN C=CCNc1nnc(SCc2nc3ccccc3c(C)c2C(=O)OCC)s1 ZINC000005785846 568733404 /nfs/dbraw/zinc/73/34/04/568733404.db2.gz DHKUODHJAZMCEZ-UHFFFAOYSA-N 0 0 400.529 4.462 50 30 HIEARN CCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C#N)cc2c1 ZINC000000907339 568749780 /nfs/dbraw/zinc/74/97/80/568749780.db2.gz UKPWRYQKCJVCBE-UHFFFAOYSA-N 0 0 405.479 4.439 50 30 HIEARN CCc1cc(N2CCC(C(=O)N3CCCCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000015114886 568756291 /nfs/dbraw/zinc/75/62/91/568756291.db2.gz HGLPQHYOLWNFIP-UHFFFAOYSA-N 0 0 415.541 4.150 50 30 HIEARN COC(NC(=O)Nc1sc2c(c1C#N)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000001087444 568768315 /nfs/dbraw/zinc/76/83/15/568768315.db2.gz ZPZAUSKJJUJPES-UHFFFAOYSA-N 0 0 401.332 4.087 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000002476885 568773984 /nfs/dbraw/zinc/77/39/84/568773984.db2.gz AGUDZLZUMTUBSB-AUUYWEPGSA-N 0 0 409.869 4.198 50 30 HIEARN C=CCSc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CCCC3=O)s1 ZINC000002493531 568776263 /nfs/dbraw/zinc/77/62/63/568776263.db2.gz RUVDYSGLUFRAPQ-GFCCVEGCSA-N 0 0 403.554 4.405 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000002495348 568776453 /nfs/dbraw/zinc/77/64/53/568776453.db2.gz AOYQZVRZKFNQRS-HNAYVOBHSA-N 0 0 409.869 4.198 50 30 HIEARN Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c2ccccc2n1 ZINC000002621914 568787975 /nfs/dbraw/zinc/78/79/75/568787975.db2.gz DCMLVBLQTHKDMZ-ZDUSSCGKSA-N 0 0 419.506 4.397 50 30 HIEARN CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000002624289 568788888 /nfs/dbraw/zinc/78/88/88/568788888.db2.gz AGWXQPMQBSOMLO-UHFFFAOYSA-N 0 0 411.918 4.052 50 30 HIEARN C=CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=O)NC1CCCC1 ZINC000002627421 568789675 /nfs/dbraw/zinc/78/96/75/568789675.db2.gz QHCNJZJOMWELFP-UHFFFAOYSA-N 0 0 415.540 4.055 50 30 HIEARN Cc1ccc(-n2c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc2-c2ccccc2)cc1 ZINC000002634048 568791444 /nfs/dbraw/zinc/79/14/44/568791444.db2.gz BLOKGUSJRMGKBP-HSZRJFAPSA-N 0 0 419.554 4.389 50 30 HIEARN N#Cc1ccccc1NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000002644106 568794354 /nfs/dbraw/zinc/79/43/54/568794354.db2.gz AIFZQVGACKLUHF-UHFFFAOYSA-N 0 0 418.503 4.254 50 30 HIEARN N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000002646951 568795382 /nfs/dbraw/zinc/79/53/82/568795382.db2.gz RPHUVONMPWXPPZ-UHFFFAOYSA-N 0 0 411.870 4.265 50 30 HIEARN Cc1ccc(-c2noc([C@@]3(C#N)Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)n2)cc1 ZINC000230066897 568805805 /nfs/dbraw/zinc/80/58/05/568805805.db2.gz IPYQTKGPGJMBNG-NZQKXSOJSA-N 0 0 415.453 4.330 50 30 HIEARN Cc1ccc(-c2noc([C@]3(C#N)Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)n2)cc1 ZINC000230066893 568805836 /nfs/dbraw/zinc/80/58/36/568805836.db2.gz IPYQTKGPGJMBNG-REWPJTCUSA-N 0 0 415.453 4.330 50 30 HIEARN Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000002791716 568810127 /nfs/dbraw/zinc/81/01/27/568810127.db2.gz BTARLAKDFYPBMA-CYBMUJFWSA-N 0 0 415.519 4.213 50 30 HIEARN Cc1c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cccc1[N+](=O)[O-] ZINC000002881788 568814271 /nfs/dbraw/zinc/81/42/71/568814271.db2.gz RAYXPMZXJBQHHE-SNVBAGLBSA-N 0 0 414.512 4.088 50 30 HIEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000005860957 568826279 /nfs/dbraw/zinc/82/62/79/568826279.db2.gz XXZFGWUPDCWIGV-HNNXBMFYSA-N 0 0 401.919 4.488 50 30 HIEARN CCOc1cc(C#N)cc(Cl)c1OC(=O)Cc1cc(Cl)cc2c1OCOC2 ZINC000029781776 568831421 /nfs/dbraw/zinc/83/14/21/568831421.db2.gz CPJTXJPCJGFPGS-UHFFFAOYSA-N 0 0 408.237 4.278 50 30 HIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1Br ZINC000005995949 568834735 /nfs/dbraw/zinc/83/47/35/568834735.db2.gz RWMDVFHQDRFIJN-DJKKODMXSA-N 0 0 407.268 4.026 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 ZINC000006005330 568835096 /nfs/dbraw/zinc/83/50/96/568835096.db2.gz SEXPIJVLDMLQSS-SJCJKPOMSA-N 0 0 411.527 4.234 50 30 HIEARN Cc1ccccc1OCCC(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000003279931 568871407 /nfs/dbraw/zinc/87/14/07/568871407.db2.gz RPVBJEUPDBTVMS-AWEZNQCLSA-N 0 0 412.511 4.004 50 30 HIEARN N#Cc1c(NC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCC3)sc2c1CCC2 ZINC000003293269 568874110 /nfs/dbraw/zinc/87/41/10/568874110.db2.gz QSAUGYBRKADUSF-UHFFFAOYSA-N 0 0 424.551 4.278 50 30 HIEARN N#Cc1cccc(Cc2cnc(NC(=O)c3cccnc3N3CCCCC3)s2)c1 ZINC000058196516 568898452 /nfs/dbraw/zinc/89/84/52/568898452.db2.gz UGULFOPOMRNRQV-UHFFFAOYSA-N 0 0 403.511 4.243 50 30 HIEARN C=CCn1c(SCC(=O)NC(C)(C)C)nc2scc(-c3cccs3)c2c1=O ZINC000003472693 568908039 /nfs/dbraw/zinc/90/80/39/568908039.db2.gz BVXNZZAMYQYRAT-UHFFFAOYSA-N 0 0 419.597 4.379 50 30 HIEARN COc1ccc([C@@H](C(C)C)N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1OC ZINC000217957729 568920890 /nfs/dbraw/zinc/92/08/90/568920890.db2.gz CACUKQBAGQXDJK-OAQYLSRUSA-N 0 0 423.538 4.223 50 30 HIEARN COc1ccc([C@H](C(C)C)N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1OC ZINC000217957648 568921078 /nfs/dbraw/zinc/92/10/78/568921078.db2.gz CACUKQBAGQXDJK-NRFANRHFSA-N 0 0 423.538 4.223 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O3 ZINC000218065725 568925165 /nfs/dbraw/zinc/92/51/65/568925165.db2.gz WQGWGCKNLMFNTH-XXZGICNZSA-N 0 0 419.820 4.498 50 30 HIEARN C=CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC ZINC000003999927 568931982 /nfs/dbraw/zinc/93/19/82/568931982.db2.gz LYYNZZYEUHLQJL-DKOVKCOZSA-N 0 0 404.510 4.287 50 30 biogenic HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1F ZINC000016731086 568937354 /nfs/dbraw/zinc/93/73/54/568937354.db2.gz OBOJVWLKVISIKR-OAQYLSRUSA-N 0 0 420.415 4.447 50 30 HIEARN CCOc1ccccc1[C@@H]1CC(=O)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000001429778 568939662 /nfs/dbraw/zinc/93/96/62/568939662.db2.gz KONOUAZLPLFOKH-ICSRJNTNSA-N 0 0 404.510 4.279 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000004209074 568951734 /nfs/dbraw/zinc/95/17/34/568951734.db2.gz RBOKPWQHLJYSIE-UHFFFAOYSA-N 0 0 408.502 4.366 50 30 HIEARN C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1F ZINC000004814719 568964441 /nfs/dbraw/zinc/96/44/41/568964441.db2.gz ZBGDGEIPOOOCFA-UHFFFAOYSA-N 0 0 403.508 4.074 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(F)c1 ZINC000005478474 568965335 /nfs/dbraw/zinc/96/53/35/568965335.db2.gz ZOMQLYSCHHAADN-UHFFFAOYSA-N 0 0 412.490 4.221 50 30 HIEARN C=CCN(C(=O)COC(=O)c1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 ZINC000006055931 568989132 /nfs/dbraw/zinc/98/91/32/568989132.db2.gz RHGDEXSHKBBCHV-UHFFFAOYSA-N 0 0 408.479 4.195 50 30 HIEARN C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2C1=O ZINC000012816689 568989964 /nfs/dbraw/zinc/98/99/64/568989964.db2.gz WYRBFRZJXDJFAB-UHFFFAOYSA-N 0 0 421.453 4.292 50 30 HIEARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(OC)cc1 ZINC000008341154 568993421 /nfs/dbraw/zinc/99/34/21/568993421.db2.gz IJKNJPVTKAVRKY-FYYLOGMGSA-N 0 0 405.498 4.285 50 30 HIEARN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(OC)cc1 ZINC000008341158 568993496 /nfs/dbraw/zinc/99/34/96/568993496.db2.gz IJKNJPVTKAVRKY-JTHBVZDNSA-N 0 0 405.498 4.285 50 30 HIEARN C=CCN(CC=C)C(=O)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000012301597 568994157 /nfs/dbraw/zinc/99/41/57/568994157.db2.gz FJSRWUNPQIPYEO-UHFFFAOYSA-N 0 0 402.542 4.049 50 30 HIEARN C=CCC(O)(CC=C)CNC(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000012438767 568994880 /nfs/dbraw/zinc/99/48/80/568994880.db2.gz YRRWXMQZSYQWKS-UHFFFAOYSA-N 0 0 401.919 4.329 50 30 HIEARN C=C(C)Cn1c2sc3c(c2c2nc(Cc4ccccc4)nn2c1=O)CC(C)(C)OC3 ZINC000013733609 569000597 /nfs/dbraw/zinc/00/05/97/569000597.db2.gz SAGYPRVNGLPUDY-UHFFFAOYSA-N 0 0 420.538 4.124 50 30 HIEARN C=CCN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O ZINC000013881574 569001081 /nfs/dbraw/zinc/00/10/81/569001081.db2.gz UYWPGMLECPUSRL-UYRXBGFRSA-N 0 0 408.479 4.235 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)SC1=S ZINC000013899337 569001110 /nfs/dbraw/zinc/00/11/10/569001110.db2.gz XCBKRDOEOKPKAJ-YBEGLDIGSA-N 0 0 402.453 4.251 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2sccc2c1=O ZINC000012820737 569004855 /nfs/dbraw/zinc/00/48/55/569004855.db2.gz ALVXEWKDYZKLKK-KBPBESRZSA-N 0 0 411.552 4.102 50 30 HIEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)c1 ZINC000016753537 569005386 /nfs/dbraw/zinc/00/53/86/569005386.db2.gz BGDNHELGNRIEEC-HSZRJFAPSA-N 0 0 424.456 4.498 50 30 HIEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 ZINC000016807858 569005446 /nfs/dbraw/zinc/00/54/46/569005446.db2.gz DNOGDXUZWDWUFT-UHFFFAOYSA-N 0 0 417.897 4.440 50 30 HIEARN C=CCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OCC=C ZINC000002081051 569006893 /nfs/dbraw/zinc/00/68/93/569006893.db2.gz LSSBWYRWOYYVNH-AQTBWJFISA-N 0 0 406.394 4.069 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)OC)cc1)Nc1ccccc1-2 ZINC000002073795 569006894 /nfs/dbraw/zinc/00/68/94/569006894.db2.gz KPVFHZRVJRXXEF-SFHVURJKSA-N 0 0 406.467 4.106 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(F)cc1 ZINC000002214221 569007075 /nfs/dbraw/zinc/00/70/75/569007075.db2.gz CFSSJWRFEJMWLS-UHFFFAOYSA-N 0 0 412.490 4.400 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cccc(OC)c1 ZINC000002449561 569007362 /nfs/dbraw/zinc/00/73/62/569007362.db2.gz AEBILEFBMYXIME-UHFFFAOYSA-N 0 0 424.526 4.269 50 30 HIEARN C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1[C@H]1COc2ccccc2O1 ZINC000012876173 569013598 /nfs/dbraw/zinc/01/35/98/569013598.db2.gz XHWJEUDZOHYBMJ-CZUORRHYSA-N 0 0 413.503 4.336 50 30 HIEARN C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)N(CCC#N)c1ccccc1 ZINC000006141019 569014286 /nfs/dbraw/zinc/01/42/86/569014286.db2.gz IVGSTKPFHBEGBG-KRWDZBQOSA-N 0 0 421.522 4.498 50 30 HIEARN CC1(C)CCC[C@](C)(C#CCN2CCN(CC#C[C@@]3(C)CCCC(C)(C)O3)CC2)O1 ZINC000019934001 569018591 /nfs/dbraw/zinc/01/85/91/569018591.db2.gz JMHBJXANORTDCX-CLJLJLNGSA-N 0 0 414.634 4.086 50 30 HIEARN Cc1ccc(S(=O)(=O)N/C(=N\c2ccc(F)cc2F)c2ccc(F)cc2)cc1 ZINC000015884960 569019720 /nfs/dbraw/zinc/01/97/20/569019720.db2.gz MFCZKBMBKCBCSU-UHFFFAOYSA-N 0 0 404.413 4.469 50 30 HIEARN C=CCn1c(S[C@H](C)c2nc(CCC)no2)nnc1[C@@H]1COc2ccccc2O1 ZINC000012979054 569042614 /nfs/dbraw/zinc/04/26/14/569042614.db2.gz ZGBQEXBAFIRURG-CJNGLKHVSA-N 0 0 413.503 4.165 50 30 HIEARN Cc1ccc(Nc2nc(COC(=O)c3ccc(NC(=O)CC#N)cc3)cs2)cc1 ZINC000006365592 569045984 /nfs/dbraw/zinc/04/59/84/569045984.db2.gz CRKZFBJYGMDUNM-UHFFFAOYSA-N 0 0 406.467 4.404 50 30 HIEARN CCCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1csc(C)c1 ZINC000006400248 569046708 /nfs/dbraw/zinc/04/67/08/569046708.db2.gz SZVHVVPSDGFSOX-UHFFFAOYSA-N 0 0 403.558 4.389 50 30 HIEARN CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2c(C#N)cnn2C)cc1 ZINC000012982088 569047256 /nfs/dbraw/zinc/04/72/56/569047256.db2.gz GTSMSUGOBCUCTP-UHFFFAOYSA-N 0 0 410.481 4.268 50 30 HIEARN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)cc1F ZINC000006507342 569061788 /nfs/dbraw/zinc/06/17/88/569061788.db2.gz QMONRJKJPTXYMN-UHFFFAOYSA-N 0 0 409.211 4.242 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000005918188 569072140 /nfs/dbraw/zinc/07/21/40/569072140.db2.gz YAJYHNFDXXBVPK-QHCPKHFHSA-N 0 0 419.500 4.498 50 30 HIEARN N#CCCN(C(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)c1ccccc1F ZINC000006625515 569075796 /nfs/dbraw/zinc/07/57/96/569075796.db2.gz DNRBXIOYZKFRHQ-GOSISDBHSA-N 0 0 407.474 4.239 50 30 HIEARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3sccc3C#N)cc2)cc1 ZINC000006651936 569081741 /nfs/dbraw/zinc/08/17/41/569081741.db2.gz WZQFAOZNXJIUIL-UHFFFAOYSA-N 0 0 411.508 4.006 50 30 HIEARN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCCc3ccccc3)c(C)c12 ZINC000006669587 569086241 /nfs/dbraw/zinc/08/62/41/569086241.db2.gz QQXAVAZWDJUMRJ-UHFFFAOYSA-N 0 0 405.494 4.266 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006720293 569098169 /nfs/dbraw/zinc/09/81/69/569098169.db2.gz RTDQFEYYJHLSSJ-HSZRJFAPSA-N 0 0 417.509 4.395 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCC(C)C)nn32)cc1OC ZINC000006728712 569102117 /nfs/dbraw/zinc/10/21/17/569102117.db2.gz MMUJYMBZASZSMP-LJQANCHMSA-N 0 0 414.531 4.065 50 30 HIEARN CCOc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)cc2)C2C(=O)CCCC2=N3)cc1 ZINC000006732489 569103473 /nfs/dbraw/zinc/10/34/73/569103473.db2.gz NUTONXLYUYSFRS-JOCHJYFZSA-N 0 0 416.481 4.374 50 30 HIEARN COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)c1 ZINC000006732485 569103475 /nfs/dbraw/zinc/10/34/75/569103475.db2.gz NXGLIZJOCIAZAF-NRFANRHFSA-N 0 0 420.444 4.123 50 30 HIEARN C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCOC)cc1 ZINC000006732797 569103787 /nfs/dbraw/zinc/10/37/87/569103787.db2.gz ZYVGWYXDVVCLQX-JOCHJYFZSA-N 0 0 419.477 4.166 50 30 HIEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1cccnc1Oc1ccccc1 ZINC000006755465 569112155 /nfs/dbraw/zinc/11/21/55/569112155.db2.gz NGTAJFCPDCDLGQ-PGMHBOJBSA-N 0 0 414.461 4.405 50 30 HIEARN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006781947 569120454 /nfs/dbraw/zinc/12/04/54/569120454.db2.gz NFPJVFULVVBNGA-NRFANRHFSA-N 0 0 418.449 4.240 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2OC)cc1 ZINC000006786639 569121464 /nfs/dbraw/zinc/12/14/64/569121464.db2.gz HJLSVEUZVMRVFT-OAQYLSRUSA-N 0 0 419.433 4.075 50 30 HIEARN N#Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000006817656 569138106 /nfs/dbraw/zinc/13/81/06/569138106.db2.gz DCTFHIOLCFPJSC-OAQYLSRUSA-N 0 0 413.506 4.464 50 30 HIEARN Cc1c(C#N)c2ccccc2n1CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000064987011 569145191 /nfs/dbraw/zinc/14/51/91/569145191.db2.gz PNSBLXGTAGNRGC-RUZDIDTESA-N 0 0 417.509 4.496 50 30 HIEARN CCn1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3c(C)noc3n2)n1 ZINC000036617980 569209734 /nfs/dbraw/zinc/20/97/34/569209734.db2.gz SPNMICGBNCXNDK-UHFFFAOYSA-N 0 0 406.471 4.217 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000007129897 569224587 /nfs/dbraw/zinc/22/45/87/569224587.db2.gz OAXWGDNYDNGVFC-CWTRNNRKSA-N 0 0 404.561 4.069 50 30 HIEARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007362109 569235273 /nfs/dbraw/zinc/23/52/73/569235273.db2.gz YDLMSLJXSOLSIG-KRWDZBQOSA-N 0 0 423.586 4.369 50 30 HIEARN N#Cc1nc(-c2cccc3ccccc32)oc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000170623752 569249892 /nfs/dbraw/zinc/24/98/92/569249892.db2.gz RTPBFISBHCXEBH-AEFFLSMTSA-N 0 0 408.461 4.152 50 30 HIEARN N#CN=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000013573284 569256010 /nfs/dbraw/zinc/25/60/10/569256010.db2.gz ICSBYCVMDYQUSO-HNNXBMFYSA-N 0 0 419.293 4.117 50 30 HIEARN O=C(CSC[C@@H](O)CON=C1c2ccccc2-c2ccccc21)Nc1ccccc1 ZINC000016839760 569264428 /nfs/dbraw/zinc/26/44/28/569264428.db2.gz NLOOTNKDNPPPMO-SFHVURJKSA-N 0 0 418.518 4.169 50 30 HIEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000016890311 569266729 /nfs/dbraw/zinc/26/67/29/569266729.db2.gz PQPJRNFIHMLCMU-UHFFFAOYSA-N 0 0 424.913 4.448 50 30 HIEARN C=CCn1c(=O)c2ccsc2nc1SCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000089913993 569268427 /nfs/dbraw/zinc/26/84/27/569268427.db2.gz BUDJHWLCVYBFQF-KRWDZBQOSA-N 0 0 414.552 4.494 50 30 HIEARN C=CCn1c(=O)c2ccsc2nc1SCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000089913994 569268437 /nfs/dbraw/zinc/26/84/37/569268437.db2.gz BUDJHWLCVYBFQF-QGZVFWFLSA-N 0 0 414.552 4.494 50 30 HIEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1C(C)C ZINC000017082756 569272954 /nfs/dbraw/zinc/27/29/54/569272954.db2.gz AVBBRMHBLDFLPY-UHFFFAOYSA-N 0 0 403.577 4.354 50 30 HIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000017187399 569276219 /nfs/dbraw/zinc/27/62/19/569276219.db2.gz SLYCLVYGPRJVKU-GFCCVEGCSA-N 0 0 415.808 4.227 50 30 HIEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2c(OC)ccc3ccccc32)cc1 ZINC000006876031 569280291 /nfs/dbraw/zinc/28/02/91/569280291.db2.gz DRTWTBSDFXLNPL-OEAKJJBVSA-N 0 0 419.510 4.372 50 30 HIEARN O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1cccc2ccccc21 ZINC000002195442 569294563 /nfs/dbraw/zinc/29/45/63/569294563.db2.gz BMAXXBIKFSPLLP-UHFFFAOYSA-N 0 0 401.447 4.237 50 30 HIEARN C=CCNN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=Nc1nnc(CC)s1 ZINC000252607796 569297743 /nfs/dbraw/zinc/29/77/43/569297743.db2.gz HEGMCPPDDQNLRK-TZJGTLJJSA-N 0 0 405.936 4.049 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCc1ccccc1 ZINC000007653607 569299044 /nfs/dbraw/zinc/29/90/44/569299044.db2.gz MUQMBWNCEHGEQN-UHFFFAOYSA-N 0 0 402.475 4.183 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 ZINC000007789791 569310612 /nfs/dbraw/zinc/31/06/12/569310612.db2.gz YYBHUTDNZHUMGD-UHFFFAOYSA-N 0 0 414.494 4.364 50 30 HIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)SC1=S ZINC000001316641 569322027 /nfs/dbraw/zinc/32/20/27/569322027.db2.gz XCBKRDOEOKPKAJ-MHWRWJLKSA-N 0 0 402.453 4.251 50 30 HIEARN CC1(C)c2ccccc2N(CC(=O)NCC#N)[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000002267692 569325967 /nfs/dbraw/zinc/32/59/67/569325967.db2.gz IDIIAPARYSXYDA-AREMUKBSSA-N 0 0 409.489 4.379 50 30 HIEARN C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000002307582 569372695 /nfs/dbraw/zinc/37/26/95/569372695.db2.gz FOXAUXWXOIMACT-UHFFFAOYSA-N 0 0 401.857 4.431 50 30 HIEARN CCCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000002317261 569373199 /nfs/dbraw/zinc/37/31/99/569373199.db2.gz FMIOJHDIRCHBMF-UHFFFAOYSA-N 0 0 420.966 4.339 50 30 HIEARN C=CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O ZINC000002310239 569373341 /nfs/dbraw/zinc/37/33/41/569373341.db2.gz DMPZHJYYMQYHKJ-HEHNFIMWSA-N 0 0 405.523 4.044 50 30 HIEARN CCOC(=O)c1c(-n2cccc2)c2c(nc(OCC)c(C#N)c2-c2ccccc2)n1C ZINC000008705186 569390068 /nfs/dbraw/zinc/39/00/68/569390068.db2.gz QSGDGYNGHGPUBW-UHFFFAOYSA-N 0 0 414.465 4.478 50 30 HIEARN CNS(=O)(=O)c1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1F ZINC000328592536 569415391 /nfs/dbraw/zinc/41/53/91/569415391.db2.gz PXZCFRRGJKSSHY-UHFFFAOYSA-N 0 0 400.431 4.162 50 30 HIEARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ccc2nc(Cl)sc2c1 ZINC000328595485 569415925 /nfs/dbraw/zinc/41/59/25/569415925.db2.gz WFOZHNUYRPLEGS-UHFFFAOYSA-N 0 0 405.863 4.406 50 30 HIEARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CN(C)c2ccc3ccccc3c2)c1C#N ZINC000008533291 571075155 /nfs/dbraw/zinc/07/51/55/571075155.db2.gz ZWTRMCKZQBMYHR-QFIPXVFZSA-N 0 0 416.525 4.384 50 30 HIEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)c1 ZINC000008846061 571125667 /nfs/dbraw/zinc/12/56/67/571125667.db2.gz RTECBJSFCFKHLU-HSZRJFAPSA-N 0 0 424.456 4.498 50 30 HIEARN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000040090216 571160574 /nfs/dbraw/zinc/16/05/74/571160574.db2.gz ISLXMFQVKLAGHO-WBVHZDCISA-N 0 0 421.335 4.279 50 30 HIEARN CC(C)N(C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1)C(=O)OC(C)(C)C ZINC000040152830 571200284 /nfs/dbraw/zinc/20/02/84/571200284.db2.gz DMOKNJGDXMOQEK-INIZCTEOSA-N 0 0 402.495 4.328 50 30 HIEARN Cc1cc(C)n(Cc2cccc(C(N)=NOCc3ccc(F)c4cccnc34)c2)n1 ZINC000069351675 571222075 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COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)cc1 ZINC000009419032 571256536 /nfs/dbraw/zinc/25/65/36/571256536.db2.gz VUDBYSIXTISYTI-BKUYFWCQSA-N 0 0 408.431 4.079 50 30 HIEARN COc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3C2=O)cc1 ZINC000009482393 571262169 /nfs/dbraw/zinc/26/21/69/571262169.db2.gz MHISWLKXPYXTMH-XKZIYDEJSA-N 0 0 422.458 4.388 50 30 HIEARN COc1ccc(Br)cc1/C=C1\Oc2cc(OCC(C)=O)ccc2C1=O ZINC000009531429 571266967 /nfs/dbraw/zinc/26/69/67/571266967.db2.gz BSLZIZKAFLUNJW-LSCVHKIXSA-N 0 0 403.228 4.042 50 30 HIEARN C=CCN1C(=O)/C(=C/c2c[nH]c3ccc(OC)cc23)S/C1=N\c1nnc(C)s1 ZINC000009577583 571269932 /nfs/dbraw/zinc/26/99/32/571269932.db2.gz YIDVXNHPHHNQLP-ITWSTJDGSA-N 0 0 411.512 4.126 50 30 HIEARN CCOc1cc(C#N)ccc1OCc1nc(-c2ccc(Br)cc2)no1 ZINC000009668569 571278381 /nfs/dbraw/zinc/27/83/81/571278381.db2.gz ZMFJHTYCWMPEAA-UHFFFAOYSA-N 0 0 400.232 4.348 50 30 HIEARN CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(nnc2-c2ccc(Cl)cc2)S1 ZINC000009712822 571281350 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HIEARN Cc1cccn2c(=O)c(C=Nc3cccc(C(F)(F)F)c3)c(N3CCCC3)nc12 ZINC000254526729 854212503 /nfs/dbraw/zinc/21/25/03/854212503.db2.gz SKJUVMKMBFFDQD-UHFFFAOYSA-N 0 0 400.404 4.373 50 30 HIEARN Cc1nn(Cc2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccccc1C ZINC000254555507 854212692 /nfs/dbraw/zinc/21/26/92/854212692.db2.gz WACNLEOEHSYDDV-UHFFFAOYSA-N 0 0 402.527 4.286 50 30 HIEARN CC(C)CC(=O)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000254715450 854213487 /nfs/dbraw/zinc/21/34/87/854213487.db2.gz HPTFWFYPRQGNGX-UHFFFAOYSA-N 0 0 419.266 4.066 50 30 HIEARN COc1cc(C=NOCC(=O)Nc2ccccc2-c2ccccc2)cc(OC)c1OC ZINC000254757870 854214088 /nfs/dbraw/zinc/21/40/88/854214088.db2.gz AOFKFQAUVZRALU-UHFFFAOYSA-N 0 0 420.465 4.369 50 30 HIEARN COc1ccc(C=NOCC(=O)N2[C@H](C)CCC[C@H]2C)cc1OCc1ccccc1 ZINC000254766007 854214455 /nfs/dbraw/zinc/21/44/55/854214455.db2.gz OSIAUXOIMZDKIN-RTBURBONSA-N 0 0 410.514 4.414 50 30 HIEARN CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253505029 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0 0 415.312 4.276 50 30 HIEARN C=CCSc1nnc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1 ZINC000023117486 519088214 /nfs/dbraw/zinc/08/82/14/519088214.db2.gz HXNXVWFOWMDJMZ-UHFFFAOYSA-N 0 0 400.533 4.272 50 30 HIEARN C=CCc1cc(C(=O)N(C)Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000032841422 519125499 /nfs/dbraw/zinc/12/54/99/519125499.db2.gz NTDDZTWGORXHOC-UHFFFAOYSA-N 0 0 404.304 4.467 50 30 HIEARN C=CCc1cc(C(=O)N(C)Cc2ccccc2Br)cc(OC)c1OC ZINC000023572897 519128207 /nfs/dbraw/zinc/12/82/07/519128207.db2.gz KPFCEPAOHGCATO-UHFFFAOYSA-N 0 0 404.304 4.467 50 30 HIEARN C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=NN=Cc1ccc(O)cc1 ZINC000000936611 519150587 /nfs/dbraw/zinc/15/05/87/519150587.db2.gz LIVUXEOENXWQBY-FPCXVXRHSA-N 0 0 408.483 4.221 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000008785808 519191637 /nfs/dbraw/zinc/19/16/37/519191637.db2.gz IJKOXOUYHLEHSR-OAHLLOKOSA-N 0 0 403.511 4.145 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N3CCCC3)cc2)nnc1-c1ccoc1C ZINC000007172173 519217514 /nfs/dbraw/zinc/21/75/14/519217514.db2.gz DAFMVFFDVOYXCZ-UHFFFAOYSA-N 0 0 423.542 4.364 50 30 HIEARN C=CCn1c(SCc2cn3c(n2)nc(C)cc3C)nc2sc(CC)cc2c1=O ZINC000012659262 519245100 /nfs/dbraw/zinc/24/51/00/519245100.db2.gz IASNKPAHSVCITG-UHFFFAOYSA-N 0 0 411.556 4.158 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nc2sccc2c1=O ZINC000032946294 519256272 /nfs/dbraw/zinc/25/62/72/519256272.db2.gz RTAOFUQQGRIVKF-CQSZACIVSA-N 0 0 403.573 4.131 50 30 HIEARN CC(C)c1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C3CC3)s2)cc1 ZINC000006787156 519837818 /nfs/dbraw/zinc/83/78/18/519837818.db2.gz HULXTBQLPSEMKE-IBGZPJMESA-N 0 0 401.561 4.306 50 30 HIEARN CCCCCCCCn1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C ZINC000098043469 520048896 /nfs/dbraw/zinc/04/88/96/520048896.db2.gz SVZYNMXHZCANCE-UHFFFAOYSA-N 0 0 418.925 4.240 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1Br ZINC000025695323 520494615 /nfs/dbraw/zinc/49/46/15/520494615.db2.gz FKHZPEZWYAHEQO-QGZVFWFLSA-N 0 0 419.319 4.011 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cc(OC)ccc2O)C1=O ZINC000036258117 520533913 /nfs/dbraw/zinc/53/39/13/520533913.db2.gz DFMSOEHYBGTRKR-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2ccc3c(c2)OCCO3)C1=O ZINC000036258133 520539453 /nfs/dbraw/zinc/53/94/53/520539453.db2.gz QUOATBCZEKXXCG-CPNJWEJPSA-N 0 0 423.490 4.310 50 30 HIEARN CCOC(=O)COc1c(/C=N\c2ccc(OC)cc2)cc(Br)cc1OC ZINC000100916522 520797012 /nfs/dbraw/zinc/79/70/12/520797012.db2.gz AQHPGJJNJBGNOU-NHDPSOOVSA-N 0 0 422.275 4.159 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000019638122 520816562 /nfs/dbraw/zinc/81/65/62/520816562.db2.gz YXAJQJMVPRELMH-SFHVURJKSA-N 0 0 404.304 4.369 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccccc2)NCc2c(C)nn(CC)c2C)cc1 ZINC000032972162 521032395 /nfs/dbraw/zinc/03/23/95/521032395.db2.gz VXHOKXGCDTXDFS-UHFFFAOYSA-N 0 0 419.529 4.317 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1 ZINC000097105061 521276980 /nfs/dbraw/zinc/27/69/80/521276980.db2.gz IMRLHTULDNGDLI-NZQKXSOJSA-N 0 0 410.466 4.032 50 30 HIEARN CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)no3)/c(=N/OC(C)=O)oc21 ZINC000020849007 521435824 /nfs/dbraw/zinc/43/58/24/521435824.db2.gz ZRNHBROSGUMMSL-LVWGJNHUSA-N 0 0 405.410 4.236 50 30 HIEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccccc3OCC)C(=O)N2C)cc1 ZINC000015010095 521463714 /nfs/dbraw/zinc/46/37/14/521463714.db2.gz FBFXIXNNVFHJEV-UVOXWLTBSA-N 0 0 410.495 4.496 50 30 HIEARN COc1cc(C(=O)/C(=C\c2ccccn2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000051065504 522049820 /nfs/dbraw/zinc/04/98/20/522049820.db2.gz VWPPJOPXAOODMQ-SAPNQHFASA-N 0 0 415.449 4.407 50 30 HIEARN COc1ccc(-c2nc(CN3CCC[C@]4(CCCCO4)[C@@H]3C#N)cs2)c(OC)c1 ZINC000253432376 523202275 /nfs/dbraw/zinc/20/22/75/523202275.db2.gz JXMQBHYXSDOPBW-RBBKRZOGSA-N 0 0 413.543 4.255 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102525809 523376784 /nfs/dbraw/zinc/37/67/84/523376784.db2.gz BJPUADXKLYEESL-MRJHHRETSA-N 0 0 403.434 4.219 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(F)c2)Nc2ccc(C)cc2)c1C ZINC000032973260 523634541 /nfs/dbraw/zinc/63/45/41/523634541.db2.gz YKAVJQNTROFFDZ-UHFFFAOYSA-N 0 0 421.520 4.408 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccccc2)Nc2cccc(C)c2)c1C ZINC000032973275 523635291 /nfs/dbraw/zinc/63/52/91/523635291.db2.gz AALBPXWWDUEFGU-UHFFFAOYSA-N 0 0 403.530 4.269 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1cccc(C)c1)NCc1c(C)nn(C)c1C ZINC000032972484 523817991 /nfs/dbraw/zinc/81/79/91/523817991.db2.gz SHTNKVXDNKAMDM-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN COc1ccccc1C(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1 ZINC000001817365 524312442 /nfs/dbraw/zinc/31/24/42/524312442.db2.gz XHPFVDKXNQLDKQ-OAQYLSRUSA-N 0 0 423.476 4.328 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccccn2)C3)C1=O ZINC000054333093 524321752 /nfs/dbraw/zinc/32/17/52/524321752.db2.gz HJYDQAYFCSJRDB-UUYOSTAYSA-N 0 0 414.461 4.367 50 30 HIEARN COc1ccccc1NC(=O)COc1ccc(C=NNc2cccc(C)c2)cc1OC ZINC000032465089 524596941 /nfs/dbraw/zinc/59/69/41/524596941.db2.gz WSWSHDBYKJWVDN-MYYYXRDXSA-N 0 0 419.481 4.476 50 30 HIEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(O)cc2)c1 ZINC000064874138 524663751 /nfs/dbraw/zinc/66/37/51/524663751.db2.gz VIYSQBXYZGXSKJ-QFIPXVFZSA-N 0 0 414.465 4.171 50 30 HIEARN Cc1ccccc1/C=C\C(=O)c1cc(Br)cc(Br)c(O)c1=O ZINC000035078001 525039342 /nfs/dbraw/zinc/03/93/42/525039342.db2.gz IAKJUULSBLYLQT-SREVYHEPSA-N 0 0 424.088 4.482 50 30 HIEARN C[C@H]1O[P@](=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@H]1C ZINC000254877697 525058733 /nfs/dbraw/zinc/05/87/33/525058733.db2.gz NUIIPODSFKKMFW-MTSBCRONSA-N 0 0 423.638 4.105 50 30 HIEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)cc1O ZINC000021349474 525276351 /nfs/dbraw/zinc/27/63/51/525276351.db2.gz HJEDXGJZBIWUBJ-IVZQSRNASA-N 0 0 418.449 4.361 50 30 HIEARN COc1ccc2c(c1)/C(=N/OC(=O)c1ccccc1I)CCC2 ZINC000027499870 525506424 /nfs/dbraw/zinc/50/64/24/525506424.db2.gz XRIBEEZBYIQSRI-LVZFUZTISA-N 0 0 421.234 4.197 50 30 HIEARN Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2F)c2ccccc2C#N)cc1 ZINC000043190998 525510576 /nfs/dbraw/zinc/51/05/76/525510576.db2.gz TUTAMGTZGQUMGN-UHFFFAOYSA-N 0 0 408.454 4.084 50 30 HIEARN Cc1c2c(cc3c1OCN(Cc1cccnc1)C3)C(=O)/C(=C\c1ccc(F)cc1)O2 ZINC000057165784 525932464 /nfs/dbraw/zinc/93/24/64/525932464.db2.gz GPUMSJOYBZYTDU-ZVBGSRNCSA-N 0 0 402.425 4.497 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102880986 525979898 /nfs/dbraw/zinc/97/98/98/525979898.db2.gz QZASJCFAWQUTBM-JXQDGVRSSA-N 0 0 411.885 4.249 50 30 HIEARN C[C@H](Sc1nncn1Cc1ccco1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036029678 526019081 /nfs/dbraw/zinc/01/90/81/526019081.db2.gz RPDJHGJNHPDNCB-DKNZLLBESA-N 0 0 408.527 4.281 50 30 HIEARN N#CCCn1cc(/C=C\C(=O)NCCSCc2ccccc2C#N)c2ccccc21 ZINC000096871627 526465942 /nfs/dbraw/zinc/46/59/42/526465942.db2.gz SCCRIXLHFPUVTO-KHPPLWFESA-N 0 0 414.534 4.489 50 30 HIEARN O=C(Nc1ccc(I)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000009065254 527219652 /nfs/dbraw/zinc/21/96/52/527219652.db2.gz DMLVEAMHURIWKU-UHFFFAOYSA-N 0 0 415.046 4.063 50 30 HIEARN Cn1ccnc1COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000040139807 527437537 /nfs/dbraw/zinc/43/75/37/527437537.db2.gz CJRYUSHJMZEYND-AWNIVKPZSA-N 0 0 401.466 4.022 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1ccccc1C ZINC000032972626 527629555 /nfs/dbraw/zinc/62/95/55/527629555.db2.gz OPJHVHZWGDMJRA-UHFFFAOYSA-N 0 0 409.921 4.397 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccccc1C ZINC000032972340 527629600 /nfs/dbraw/zinc/62/96/00/527629600.db2.gz LPTBROMDXDTFTJ-UHFFFAOYSA-N 0 0 409.921 4.397 50 30 HIEARN FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(I)C(F)(F)F ZINC000079741478 527662091 /nfs/dbraw/zinc/66/20/91/527662091.db2.gz WXGLHUFWWLOFCN-YFKPBYRVSA-N 0 0 411.936 4.414 50 30 HIEARN O=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)N1CCCCC1 ZINC000000672186 557050079 /nfs/dbraw/zinc/05/00/79/557050079.db2.gz ZOQWQEXFRVBSMB-DEDYPNTBSA-N 0 0 423.332 4.080 50 30 HIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000000676877 557053144 /nfs/dbraw/zinc/05/31/44/557053144.db2.gz QLHDHCFVMKTWSB-FQEVSTJZSA-N 0 0 413.514 4.261 50 30 biogenic HIEARN O=S(=O)(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000000695543 557061786 /nfs/dbraw/zinc/06/17/86/557061786.db2.gz KDGJYZVEUXIQAK-CAOOACKPSA-N 0 0 408.104 4.068 50 30 HIEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000000977280 557129400 /nfs/dbraw/zinc/12/94/00/557129400.db2.gz QYMOFWYTYXCFRX-UHFFFAOYSA-N 0 0 402.362 4.253 50 30 HIEARN CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001219739 557248224 /nfs/dbraw/zinc/24/82/24/557248224.db2.gz ILOJOZRNGPJRRN-MRXNPFEDSA-N 0 0 406.316 4.103 50 30 HIEARN COc1ccc(C(=O)NC2=NN3C(=NC(c4ccccc4)=C[C@H]3c3ccccc3)N2)cc1 ZINC000001790352 557288068 /nfs/dbraw/zinc/28/80/68/557288068.db2.gz PAGYBILODYZFBO-QFIPXVFZSA-N 0 0 423.476 4.328 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000002190435 557325114 /nfs/dbraw/zinc/32/51/14/557325114.db2.gz HGFAJJZBTMFLHG-IBGZPJMESA-N 0 0 407.482 4.229 50 30 HIEARN Cc1ccc2nc(N=C(NC(=O)c3ccccc3)NC(=O)c3ccccc3)nc(C)c2c1 ZINC000002267746 557332908 /nfs/dbraw/zinc/33/29/08/557332908.db2.gz NMHRUHVDFAEQJR-UHFFFAOYSA-N 0 0 423.476 4.094 50 30 HIEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000002757900 557380759 /nfs/dbraw/zinc/38/07/59/557380759.db2.gz GDIJJTCLDWKXTA-IBGZPJMESA-N 0 0 423.431 4.253 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002761194 557381301 /nfs/dbraw/zinc/38/13/01/557381301.db2.gz HJVJLIKZXOIBIS-HNNXBMFYSA-N 0 0 410.297 4.484 50 30 HIEARN C#CCOc1c(Br)cc(C=C2C(=O)c3ccccc3C2=O)cc1OCC ZINC000002980588 557435101 /nfs/dbraw/zinc/43/51/01/557435101.db2.gz YQXSKEODOUOWRV-UHFFFAOYSA-N 0 0 411.251 4.322 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000004696119 557582362 /nfs/dbraw/zinc/58/23/62/557582362.db2.gz MGUHCTBVYJHWQN-WJDWOHSUSA-N 0 0 414.414 4.278 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cccc(OC)c2)C1=O ZINC000004756093 557594098 /nfs/dbraw/zinc/59/40/98/557594098.db2.gz GZUFAKKOWJGSBU-AQTBWJFISA-N 0 0 411.479 4.247 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3ccc(O)cc3)C12 ZINC000004814186 557601102 /nfs/dbraw/zinc/60/11/02/557601102.db2.gz OKKMYSJJUXSBOK-HXUWFJFHSA-N 0 0 404.495 4.298 50 30 HIEARN Cc1ccccc1[C@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004906674 557611944 /nfs/dbraw/zinc/61/19/44/557611944.db2.gz BQNMQLQKJNOVGJ-VGSWGCGISA-N 0 0 409.526 4.321 50 30 biogenic HIEARN O=C1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004914014 557613242 /nfs/dbraw/zinc/61/32/42/557613242.db2.gz MUDYKRAOWOUZJA-NWDGAFQWSA-N 0 0 402.859 4.314 50 30 HIEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004915193 557613596 /nfs/dbraw/zinc/61/35/96/557613596.db2.gz AXPPOSDLYTYXHI-PKOBYXMFSA-N 0 0 421.493 4.107 50 30 HIEARN CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000004915220 557613655 /nfs/dbraw/zinc/61/36/55/557613655.db2.gz UHMNMEOISKSDRK-PKOBYXMFSA-N 0 0 421.493 4.107 50 30 HIEARN O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004915507 557613777 /nfs/dbraw/zinc/61/37/77/557613777.db2.gz FUTRQVGXHFEHQJ-HIFRSBDPSA-N 0 0 414.820 4.392 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)cc1OC ZINC000004915252 557613784 /nfs/dbraw/zinc/61/37/84/557613784.db2.gz YJSMGHZINMFUJA-ZBFHGGJFSA-N 0 0 411.885 4.362 50 30 HIEARN CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)c1 ZINC000004916296 557613943 /nfs/dbraw/zinc/61/39/43/557613943.db2.gz SLWIVAJXMQQSJM-OXJNMPFZSA-N 0 0 421.493 4.107 50 30 HIEARN O=C(Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000004947846 557616120 /nfs/dbraw/zinc/61/61/20/557616120.db2.gz NDQINONGCBGWDB-FYJGNVAPSA-N 0 0 406.354 4.168 50 30 HIEARN CSc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004951373 557616612 /nfs/dbraw/zinc/61/66/12/557616612.db2.gz KYPNACKFZGOYQR-OAQYLSRUSA-N 0 0 405.523 4.410 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1OC ZINC000004986676 557620879 /nfs/dbraw/zinc/62/08/79/557620879.db2.gz HPTSMVFAKQBASR-RDJZCZTQSA-N 0 0 411.885 4.362 50 30 HIEARN COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)ccc1O ZINC000004987411 557621598 /nfs/dbraw/zinc/62/15/98/557621598.db2.gz UHFCYJHNCXGLCS-PKOBYXMFSA-N 0 0 421.493 4.192 50 30 HIEARN COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC(C)C)cc2)C3)ccc1O ZINC000004987408 557621641 /nfs/dbraw/zinc/62/16/41/557621641.db2.gz UHFCYJHNCXGLCS-HKUYNNGSSA-N 0 0 421.493 4.192 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)CC(C)(C)CC(=O)[C@H]1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000005062846 557633069 /nfs/dbraw/zinc/63/30/69/557633069.db2.gz GORMMYWRNUWTJI-RFWXGWTQSA-N 0 0 413.470 4.046 50 30 HIEARN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccc(Cl)cc2Cl)S1 ZINC000005094351 557635174 /nfs/dbraw/zinc/63/51/74/557635174.db2.gz KRSSYKLCVBBKEU-CTJICSLTSA-N 0 0 408.310 4.166 50 30 HIEARN CSc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005130433 557637588 /nfs/dbraw/zinc/63/75/88/557637588.db2.gz XOBLETJKANKEKS-NRFANRHFSA-N 0 0 405.523 4.410 50 30 HIEARN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)c1 ZINC000005408621 557651696 /nfs/dbraw/zinc/65/16/96/557651696.db2.gz JQZYNMAWONNQIA-JOCHJYFZSA-N 0 0 414.461 4.259 50 30 HIEARN CN(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc4ccccc43)S2)cc1 ZINC000005843440 557677257 /nfs/dbraw/zinc/67/72/57/557677257.db2.gz QKTWHZITWRSBSM-SGSZHJQISA-N 0 0 402.523 4.070 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000006786067 557720922 /nfs/dbraw/zinc/72/09/22/557720922.db2.gz NZRPFOMIBMYOQO-SFHVURJKSA-N 0 0 403.837 4.094 50 30 HIEARN CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000006819763 557725257 /nfs/dbraw/zinc/72/52/57/557725257.db2.gz HQFGILQUBKETAX-GHTZIAJQSA-N 0 0 405.494 4.488 50 30 HIEARN CN(C)c1ccc(/C=N/N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000002981245 557777282 /nfs/dbraw/zinc/77/72/82/557777282.db2.gz KOBUWYFAEIRWGH-OTZYPNAKSA-N 0 0 413.525 4.419 50 30 HIEARN CCOC(=O)COc1c(Br)cc(C=NNc2ccc(C)cc2)cc1OC ZINC000008398823 557786565 /nfs/dbraw/zinc/78/65/65/557786565.db2.gz PYHDTYJKDWFJLF-SRZZPIQSSA-N 0 0 421.291 4.154 50 30 HIEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl ZINC000008424628 557787524 /nfs/dbraw/zinc/78/75/24/557787524.db2.gz SBGWWNFOLAOJHU-UHFFFAOYSA-N 0 0 420.966 4.188 50 30 HIEARN O=C1N/C(=N\N=C\c2ccc(Cl)cc2Cl)S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000008427423 557788224 /nfs/dbraw/zinc/78/82/24/557788224.db2.gz SVURYUCWILXNAZ-GFOZJHCUSA-N 0 0 421.265 4.496 50 30 HIEARN COc1ccccc1-c1nc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000022775845 557818337 /nfs/dbraw/zinc/81/83/37/557818337.db2.gz YZLZVRCXHFUHAJ-UHFFFAOYSA-N 0 0 404.539 4.008 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c1 ZINC000004333608 558263652 /nfs/dbraw/zinc/26/36/52/558263652.db2.gz LNWZRXBEWIKHQJ-NRFANRHFSA-N 0 0 418.424 4.008 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019770232 558279182 /nfs/dbraw/zinc/27/91/82/558279182.db2.gz XKYPLGHGIXQHAK-UWJYYQICSA-N 0 0 413.489 4.152 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000019771173 558279805 /nfs/dbraw/zinc/27/98/05/558279805.db2.gz YDCQRRZOHXVNOS-XMMPIXPASA-N 0 0 417.505 4.449 50 30 HIEARN COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019770851 558279819 /nfs/dbraw/zinc/27/98/19/558279819.db2.gz PJLLOZUQTPZMMY-DEOSSOPVSA-N 0 0 417.505 4.449 50 30 HIEARN COc1cccc(-c2cc3nc(SCC#N)n(Cc4cccnc4)c(=O)c3s2)c1 ZINC000019797153 558284575 /nfs/dbraw/zinc/28/45/75/558284575.db2.gz CMMNTMLHYLXRBX-UHFFFAOYSA-N 0 0 420.519 4.193 50 30 HIEARN CSc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019830718 558291506 /nfs/dbraw/zinc/29/15/06/558291506.db2.gz MRXOWRISFJEJCW-IIBYNOLFSA-N 0 0 413.539 4.099 50 30 HIEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NCc1ccco1 ZINC000020503256 558380986 /nfs/dbraw/zinc/38/09/86/558380986.db2.gz HJNKOSYASXICPJ-XMMPIXPASA-N 0 0 417.465 4.169 50 30 HIEARN O=c1[nH]c2ccc(/N=C3\c4ccccc4N(Cc4ccccc4Cl)C3=O)cc2[nH]1 ZINC000012375494 558391825 /nfs/dbraw/zinc/39/18/25/558391825.db2.gz HIKBAQGIUPOXFU-HIXSDJFHSA-N 0 0 402.841 4.177 50 30 HIEARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NC1(C#N)CCCCC1 ZINC000013017710 558504249 /nfs/dbraw/zinc/50/42/49/558504249.db2.gz LQJFDVPFFAYMKK-GFCCVEGCSA-N 0 0 405.524 4.244 50 30 HIEARN CCOc1c(Br)cc(Cl)cc1NCC(=O)NC1(C#N)CCCCC1 ZINC000010945197 558595998 /nfs/dbraw/zinc/59/59/98/558595998.db2.gz PXOUDFLNOFYUOQ-UHFFFAOYSA-N 0 0 414.731 4.256 50 30 HIEARN CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1 ZINC000004518311 558642216 /nfs/dbraw/zinc/64/22/16/558642216.db2.gz AJHSZVAXFKNZGP-UHFFFAOYSA-N 0 0 404.495 4.110 50 30 HIEARN CC(N=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1c[nH]c2ccccc21 ZINC000004536233 558655077 /nfs/dbraw/zinc/65/50/77/558655077.db2.gz HOBXQDZIPZFMNJ-QRQIAZFYSA-N 0 0 418.549 4.170 50 30 HIEARN CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000004538216 558661300 /nfs/dbraw/zinc/66/13/00/558661300.db2.gz BJNXTCZNNSJWBT-NRFANRHFSA-N 0 0 418.449 4.160 50 30 HIEARN C=CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000027571030 558675262 /nfs/dbraw/zinc/67/52/62/558675262.db2.gz BMVRUXXOBHMJIC-NRFANRHFSA-N 0 0 417.461 4.001 50 30 HIEARN O=S(=O)(c1ccc(-c2csc(N=NCc3ccco3)n2)cc1)N1CCCCC1 ZINC000015227847 558728915 /nfs/dbraw/zinc/72/89/15/558728915.db2.gz WVOFCMVCLCSVSS-DEDYPNTBSA-N 0 0 416.528 4.024 50 30 HIEARN C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000015938585 558763049 /nfs/dbraw/zinc/76/30/49/558763049.db2.gz SDTCFQMSRICCOZ-GIJQJNRQSA-N 0 0 422.131 4.458 50 30 HIEARN COC(=O)c1scc(C)c1N=NC(C)c1ccc(I)cc1 ZINC000004587173 558784795 /nfs/dbraw/zinc/78/47/95/558784795.db2.gz NRAPQRISAHWHBN-LICLKQGHSA-N 0 0 414.268 4.284 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000016732944 558802429 /nfs/dbraw/zinc/80/24/29/558802429.db2.gz JIKLXRPYHODEAT-OAQYLSRUSA-N 0 0 418.424 4.013 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(OC)cc1 ZINC000016741385 558803516 /nfs/dbraw/zinc/80/35/16/558803516.db2.gz OCZYDKBFOFHONR-NRFANRHFSA-N 0 0 407.466 4.167 50 30 HIEARN C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000060163532 558808956 /nfs/dbraw/zinc/80/89/56/558808956.db2.gz IJBQFFSRHDZDOE-DEOSSOPVSA-N 0 0 414.480 4.349 50 30 HIEARN CCCc1ccc(S(=O)(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000017089535 558818172 /nfs/dbraw/zinc/81/81/72/558818172.db2.gz FGTIJUQTLPLCNQ-STZFKDTASA-N 0 0 413.455 4.120 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(O)c1 ZINC000018167392 558832572 /nfs/dbraw/zinc/83/25/72/558832572.db2.gz KZGHZWPXMAUULO-QVKFZJNVSA-N 0 0 409.507 4.378 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000013653580 558850897 /nfs/dbraw/zinc/85/08/97/558850897.db2.gz YYGORXICUBVULP-OFNOZLENSA-N 0 0 407.466 4.027 50 30 HIEARN C=CCn1c(C)nc2c(c1=O)[C@@H](c1cccs1)c1c(=O)oc3ccccc3c1O2 ZINC000004665056 558876704 /nfs/dbraw/zinc/87/67/04/558876704.db2.gz UIDWESFQIVGLPG-INIZCTEOSA-N 0 0 404.447 4.192 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)CC2)nc1 ZINC000058157527 558903379 /nfs/dbraw/zinc/90/33/79/558903379.db2.gz BJYDZFGXPQLFSE-UHFFFAOYSA-N 0 0 422.435 4.274 50 30 HIEARN C=CCOc1cccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)c1 ZINC000004696430 558905953 /nfs/dbraw/zinc/90/59/53/558905953.db2.gz WHHCWHZVKNMDHU-JCMHNJIXSA-N 0 0 403.478 4.433 50 30 HIEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000004700992 558912387 /nfs/dbraw/zinc/91/23/87/558912387.db2.gz LGOJAESSCLSLCP-GZTJUZNOSA-N 0 0 418.415 4.463 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000019624791 558947041 /nfs/dbraw/zinc/94/70/41/558947041.db2.gz HCSHYXMJDOYAPH-WMZHIEFXSA-N 0 0 402.494 4.396 50 30 HIEARN COc1cccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1OC ZINC000019638158 558947762 /nfs/dbraw/zinc/94/77/62/558947762.db2.gz YSLVDLWFGYFTRY-NRFANRHFSA-N 0 0 411.498 4.158 50 30 HIEARN Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccc(C)c4)CC3)o2)cc1 ZINC000021799527 558951739 /nfs/dbraw/zinc/95/17/39/558951739.db2.gz PAHFSQSLGOLPQG-ZHACJKMWSA-N 0 0 412.493 4.296 50 30 HIEARN CCCCCCCC1CCC(C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)OCC)CC1 ZINC000097995711 559011527 /nfs/dbraw/zinc/01/15/27/559011527.db2.gz JFVAUINRNGPAAE-XVAXZDLZSA-N 0 0 424.626 4.364 50 30 HIEARN C=CCNc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004740981 559044090 /nfs/dbraw/zinc/04/40/90/559044090.db2.gz UFRPFBJWGHTDAL-UHFFFAOYSA-N 0 0 422.529 4.453 50 30 HIEARN CCNC(=S)NN=Cc1cc(Cl)ccc1OCCOc1ccc(C)c(C)c1 ZINC000015685303 559061520 /nfs/dbraw/zinc/06/15/20/559061520.db2.gz FKRPSAZSCNREIM-UHFFFAOYSA-N 0 0 405.951 4.233 50 30 HIEARN C=CCSC1=N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1 ZINC000004789703 559064356 /nfs/dbraw/zinc/06/43/56/559064356.db2.gz DVAXGTFZLJFRMM-HEHNFIMWSA-N 0 0 405.523 4.186 50 30 HIEARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C#N)c3)C2)c2ccccc12 ZINC000011373059 559067159 /nfs/dbraw/zinc/06/71/59/559067159.db2.gz SOFSHVNOSNDNRZ-SFHVURJKSA-N 0 0 413.477 4.211 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)cc1 ZINC000016247937 559076256 /nfs/dbraw/zinc/07/62/56/559076256.db2.gz XXIAUQLGBJCRQD-LTUQMTLXSA-N 0 0 405.882 4.459 50 30 HIEARN C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1F ZINC000004814718 559077545 /nfs/dbraw/zinc/07/75/45/559077545.db2.gz CQRNFWCSDHGBFY-UHFFFAOYSA-N 0 0 408.502 4.342 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccccc1C ZINC000004814863 559077735 /nfs/dbraw/zinc/07/77/35/559077735.db2.gz QJLCFTHFZXEMHM-UHFFFAOYSA-N 0 0 409.511 4.432 50 30 HIEARN COc1ccc(S(=O)(=O)NC2=CC(=Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000100822160 559141205 /nfs/dbraw/zinc/14/12/05/559141205.db2.gz VXABOCGDPOQZQE-DAFNUICNSA-N 0 0 418.474 4.066 50 30 HIEARN COc1cc(/C=N\c2ccc(I)cc2C)cc(OC)c1OC ZINC000103731540 559156952 /nfs/dbraw/zinc/15/69/52/559156952.db2.gz OQZRTTUOGGNWIT-GRSHGNNSSA-N 0 0 411.239 4.376 50 30 HIEARN N#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1 ZINC000098212878 559173027 /nfs/dbraw/zinc/17/30/27/559173027.db2.gz OXDNTFXDZKESHX-UHFFFAOYSA-N 0 0 405.889 4.001 50 30 HIEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)O[C@H](C)COC ZINC000004889419 559197846 /nfs/dbraw/zinc/19/78/46/559197846.db2.gz GWABGCGQESQLSW-QZTJIDSGSA-N 0 0 412.534 4.222 50 30 HIEARN CCC[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000004898292 559199201 /nfs/dbraw/zinc/19/92/01/559199201.db2.gz VCHFDMLVDMNIGJ-NVHJWRPJSA-N 0 0 414.462 4.368 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000004918363 559204492 /nfs/dbraw/zinc/20/44/92/559204492.db2.gz YTUWARYTUCJIKC-UGKGYDQZSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1OCC ZINC000004919866 559204802 /nfs/dbraw/zinc/20/48/02/559204802.db2.gz WQQZXKBKMVWZJF-CYFREDJKSA-N 0 0 424.493 4.422 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OC)cc1OC ZINC000004943510 559214261 /nfs/dbraw/zinc/21/42/61/559214261.db2.gz JTDBYVWXMOEUMM-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000004955104 559216488 /nfs/dbraw/zinc/21/64/88/559216488.db2.gz CEJYWJSEJHZTLS-SOXUWCDVSA-N 0 0 411.527 4.256 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(OCC)cc2)nc2sc(C)cc2c1=O ZINC000005017279 559228601 /nfs/dbraw/zinc/22/86/01/559228601.db2.gz RTOZRFYNSFMXTC-UHFFFAOYSA-N 0 0 400.525 4.326 50 30 HIEARN CCCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc21 ZINC000005030835 559230823 /nfs/dbraw/zinc/23/08/23/559230823.db2.gz WMLDAOBAVKCBBR-ZMOGYAJESA-N 0 0 406.515 4.030 50 30 HIEARN C=CCn1c2ccccc2nc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000005071494 559241517 /nfs/dbraw/zinc/24/15/17/559241517.db2.gz XLFZVFISVVRDJV-HNNXBMFYSA-N 0 0 406.511 4.078 50 30 HIEARN COC(=O)[C@H](/N=C/c1ccc(Br)cc1O)C12CC3CC(CC(C3)C1)C2 ZINC000005125438 559248201 /nfs/dbraw/zinc/24/82/01/559248201.db2.gz MEZFDHCMRLSACB-OOMMJIIESA-N 0 0 406.320 4.332 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019761738 559286655 /nfs/dbraw/zinc/28/66/55/559286655.db2.gz DYGNMEGRRAMJRY-XOBRGWDASA-N 0 0 401.890 4.030 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccco4)nc3c1[C@H]2c1ccco1 ZINC000005347290 560570573 /nfs/dbraw/zinc/57/05/73/560570573.db2.gz PRJLLFMOIBUKBC-KRWDZBQOSA-N 0 0 402.410 4.145 50 30 HIEARN N#CC1(NC(=O)COC(=O)CSc2cccc3cccc(Cl)c32)CCCCC1 ZINC000005468837 560592371 /nfs/dbraw/zinc/59/23/71/560592371.db2.gz DBIBRKVNJJAFED-UHFFFAOYSA-N 0 0 416.930 4.471 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 ZINC000005477928 560594942 /nfs/dbraw/zinc/59/49/42/560594942.db2.gz TVIOWEPXLOCFHM-AQTBWJFISA-N 0 0 410.520 4.106 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000005491273 560597539 /nfs/dbraw/zinc/59/75/39/560597539.db2.gz LMXPZIHWAYOCLK-YOEHRIQHSA-N 0 0 403.887 4.159 50 30 HIEARN COc1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC(C)C ZINC000005489560 560597863 /nfs/dbraw/zinc/59/78/63/560597863.db2.gz UYNRCXSRYUOQMI-CQSZACIVSA-N 0 0 422.909 4.024 50 30 HIEARN O=C1C=C(NCCNC2=CC(=O)C[C@H](c3ccccc3)C2)C[C@@H](c2ccccc2)C1 ZINC000136551255 560598454 /nfs/dbraw/zinc/59/84/54/560598454.db2.gz CYGMVMWPNWRNEM-FGZHOGPDSA-N 0 0 400.522 4.227 50 30 HIEARN N#Cc1c(COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000014728692 560738418 /nfs/dbraw/zinc/73/84/18/560738418.db2.gz AVPMRRCCLPMNOB-UHFFFAOYSA-N 0 0 421.884 4.060 50 30 HIEARN CC(C)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 ZINC000101062553 560768829 /nfs/dbraw/zinc/76/88/29/560768829.db2.gz PCVKLNPVLMKGHP-HVESIFNPSA-N 0 0 400.272 4.282 50 30 HIEARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC ZINC000018196486 560782566 /nfs/dbraw/zinc/78/25/66/560782566.db2.gz CBVRYVMPFJTPFE-SGTLLEGYSA-N 0 0 423.494 4.152 50 30 HIEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(C)c3)S2)c1 ZINC000018213091 560784822 /nfs/dbraw/zinc/78/48/22/560784822.db2.gz HSKCYUWMNBVJQN-MAVBTGMRSA-N 0 0 411.527 4.292 50 30 HIEARN Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3ccccc3F)c3ccccc32)cc1 ZINC000101677041 560797887 /nfs/dbraw/zinc/79/78/87/560797887.db2.gz KWOGJTPAGMFTIN-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 ZINC000102542894 560814472 /nfs/dbraw/zinc/81/44/72/560814472.db2.gz YBKKFCWXAVTFAN-MRJHHRETSA-N 0 0 418.449 4.085 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1C ZINC000102519796 560815682 /nfs/dbraw/zinc/81/56/82/560815682.db2.gz GKXVUDKJDMRARQ-MOBKVPTQSA-N 0 0 414.461 4.021 50 30 HIEARN CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1 ZINC000102708333 560820782 /nfs/dbraw/zinc/82/07/82/560820782.db2.gz LDSKNQUMBCLNKY-UKTJGKINSA-N 0 0 422.506 4.066 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 ZINC000102735408 560822837 /nfs/dbraw/zinc/82/28/37/560822837.db2.gz MRLZDWLIWGYDFI-IXBTYZTBSA-N 0 0 415.445 4.225 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102799064 560828156 /nfs/dbraw/zinc/82/81/56/560828156.db2.gz VNVHSDQGIMZGKY-IDTYTIONSA-N 0 0 412.294 4.123 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102801060 560828470 /nfs/dbraw/zinc/82/84/70/560828470.db2.gz BAIPLELPHDEKAP-MRJHHRETSA-N 0 0 414.417 4.217 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl ZINC000102879505 560833685 /nfs/dbraw/zinc/83/36/85/560833685.db2.gz SVVYSENEWXKLCE-ZYXMVNNGSA-N 0 0 403.887 4.002 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102926049 560834339 /nfs/dbraw/zinc/83/43/39/560834339.db2.gz AONUEEPKICCRQD-MRJHHRETSA-N 0 0 403.434 4.300 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)sc1C ZINC000102929070 560834714 /nfs/dbraw/zinc/83/47/14/560834714.db2.gz NEEXVPYDMJVQJA-UYTDBDHRSA-N 0 0 412.492 4.153 50 30 HIEARN N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1Cl ZINC000014805382 560851808 /nfs/dbraw/zinc/85/18/08/560851808.db2.gz ISUCWBHPHXXDSR-UHFFFAOYSA-N 0 0 415.236 4.051 50 30 HIEARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000012070146 560888221 /nfs/dbraw/zinc/88/82/21/560888221.db2.gz OYAXEXXKUSRBBV-AWEZNQCLSA-N 0 0 416.568 4.108 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(=O)[nH]c(=S)[nH]c1N2 ZINC000004004815 560892665 /nfs/dbraw/zinc/89/26/65/560892665.db2.gz IXBSJVSSJHWAES-GFCCVEGCSA-N 0 0 404.289 4.172 50 30 aggregator HIEARN O=C(N/C(=N/c1ccc(Br)cc1)NCc1ccncc1)c1ccccc1 ZINC000045939978 568421711 /nfs/dbraw/zinc/42/17/11/568421711.db2.gz AAXSONZOJDZZCO-UHFFFAOYSA-N 0 0 409.287 4.051 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)c(C)c2)cc1OC ZINC000046125497 568428492 /nfs/dbraw/zinc/42/84/92/568428492.db2.gz GQEPZGLGYZLTLN-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(CC)c2)cc1 ZINC000046127818 568428927 /nfs/dbraw/zinc/42/89/27/568428927.db2.gz MAOWVTSSLWHJEP-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN CC(=O)Nc1cc(C(=O)N=C(NCc2cccnc2)Nc2cccc(C)c2)ccc1C ZINC000046127701 568428935 /nfs/dbraw/zinc/42/89/35/568428935.db2.gz KRIAVEVBVGGMGJ-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(Cl)cc1)NCc1cccnc1 ZINC000046128305 568429054 /nfs/dbraw/zinc/42/90/54/568429054.db2.gz OXEQEWWMMILKFE-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(Cl)c2C)cc1 ZINC000046130001 568429184 /nfs/dbraw/zinc/42/91/84/568429184.db2.gz HPVHUQZONKRYMA-SFHVURJKSA-N 0 0 415.921 4.424 50 30 HIEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(Br)c2)c1 ZINC000046132722 568430278 /nfs/dbraw/zinc/43/02/78/568430278.db2.gz BZXUWNYLYAPIDO-SFHVURJKSA-N 0 0 416.319 4.134 50 30 HIEARN Cc1cc(C(=O)CSc2nc(N)cc(N)c2C#N)c(C)n1-c1ccc(C)c(C)c1 ZINC000048264745 568433843 /nfs/dbraw/zinc/43/38/43/568433843.db2.gz PPPCDZRLEYUXBQ-UHFFFAOYSA-N 0 0 405.527 4.117 50 30 HIEARN N#CN=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000113480568 568451032 /nfs/dbraw/zinc/45/10/32/568451032.db2.gz UJGVESCAOFCVEI-CQSZACIVSA-N 0 0 419.293 4.308 50 30 HIEARN CSc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005205657 568455433 /nfs/dbraw/zinc/45/54/33/568455433.db2.gz KLJUEGBQOJNGPH-SZNDQCEHSA-N 0 0 404.495 4.121 50 30 HIEARN Cc1c(/N=C2\NC3(CCCCC3)Cc3ccccc32)c(=O)n(C)n1-c1ccccc1 ZINC000000704250 568463078 /nfs/dbraw/zinc/46/30/78/568463078.db2.gz QODBNTZZNYNGQG-UHFFFAOYSA-N 0 0 400.526 4.411 50 30 HIEARN C=CCNC(=O)[C@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CC=C ZINC000007119787 568471942 /nfs/dbraw/zinc/47/19/42/568471942.db2.gz KMBFNVSWRPOAML-AWEZNQCLSA-N 0 0 411.552 4.094 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCn2ccnc2)o1 ZINC000000798063 568482926 /nfs/dbraw/zinc/48/29/26/568482926.db2.gz DFKADHVAYPVMJK-OAQYLSRUSA-N 0 0 419.481 4.070 50 30 HIEARN CCc1cc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)sc1C ZINC000008209296 568492885 /nfs/dbraw/zinc/49/28/85/568492885.db2.gz QXKKHGULVPTTKK-UHFFFAOYSA-N 0 0 419.572 4.122 50 30 HIEARN N#Cc1c2c(c(-c3ccccc3)nc1N1CCN(C(=O)c3ccco3)CC1)CCCC2 ZINC000019952885 568586143 /nfs/dbraw/zinc/58/61/43/568586143.db2.gz QGQNUHXQNSGZIM-UHFFFAOYSA-N 0 0 412.493 4.054 50 30 HIEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNCc3cccs3)S2(=O)=O)cc1 ZINC000020131972 568589667 /nfs/dbraw/zinc/58/96/67/568589667.db2.gz UHHUGMXFNQCIKH-STZFKDTASA-N 0 0 424.547 4.220 50 30 HIEARN CCOc1ccc(/C=C/C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000020410835 568605264 /nfs/dbraw/zinc/60/52/64/568605264.db2.gz QIOZSWGHSBEEKO-FKIZTMCRSA-N 0 0 409.482 4.024 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccccc3OC)C2)cc1 ZINC000012407968 568711869 /nfs/dbraw/zinc/71/18/69/568711869.db2.gz KUIQYYNVZGPOTD-LHSJRXKWSA-N 0 0 418.453 4.066 50 30 HIEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3cccc(O)c3)C12 ZINC000012408474 568712376 /nfs/dbraw/zinc/71/23/76/568712376.db2.gz HXCJKMHYFJPUII-ORAYPTAESA-N 0 0 408.845 4.408 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000005799639 568735117 /nfs/dbraw/zinc/73/51/17/568735117.db2.gz HWYWORFRASVTNG-JOCHJYFZSA-N 0 0 414.461 4.259 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000005800032 568735252 /nfs/dbraw/zinc/73/52/52/568735252.db2.gz APMZFGFOTJUNRY-FQEVSTJZSA-N 0 0 404.397 4.012 50 30 HIEARN CCOc1cc(/C=N/S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O ZINC000000952560 568757395 /nfs/dbraw/zinc/75/73/95/568757395.db2.gz JXQYXODOJVQMLN-GIJQJNRQSA-N 0 0 418.696 4.015 50 30 HIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)c(Br)c2)[C@H]1c1cccc(F)c1 ZINC000000973926 568759303 /nfs/dbraw/zinc/75/93/03/568759303.db2.gz XVVHGBGDDFHTDB-KRWDZBQOSA-N 0 0 404.235 4.386 50 30 HIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)c(Br)c2)[C@@H]1c1cccc(F)c1 ZINC000000973927 568759357 /nfs/dbraw/zinc/75/93/57/568759357.db2.gz XVVHGBGDDFHTDB-QGZVFWFLSA-N 0 0 404.235 4.386 50 30 HIEARN CC(C)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O ZINC000001000363 568761187 /nfs/dbraw/zinc/76/11/87/568761187.db2.gz BPOVXPPWINEUBC-IBGZPJMESA-N 0 0 421.522 4.148 50 30 aggregator HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000001087476 568768316 /nfs/dbraw/zinc/76/83/16/568768316.db2.gz MSTZTORQVACHGQ-GVAUOCQISA-N 0 0 423.509 4.103 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000002622794 568788274 /nfs/dbraw/zinc/78/82/74/568788274.db2.gz MMQYVOGHEBDYPM-JOCHJYFZSA-N 0 0 423.517 4.220 50 30 HIEARN C=CCn1c(SCC(=O)NCc2ccccc2Cl)nnc1-c1ccccc1F ZINC000002625900 568789231 /nfs/dbraw/zinc/78/92/31/568789231.db2.gz LWHIDRZSEPJBEL-UHFFFAOYSA-N 0 0 416.909 4.332 50 30 HIEARN CCn1cnc2c1nc(N1CC[C@@H]3CCCC[C@@H]3C1)nc2Nc1cccc(C#N)c1 ZINC000028629351 568798753 /nfs/dbraw/zinc/79/87/53/568798753.db2.gz KFKCBRWHDIUARN-ZWKOTPCHSA-N 0 0 401.518 4.478 50 30 HIEARN COc1ccc(N2CC(=O)C(c3nc(-c4ccc(F)cc4)cs3)=C2N)cc1Cl ZINC000002664430 568799889 /nfs/dbraw/zinc/79/98/89/568799889.db2.gz SNQIEHKZWYBYOH-UHFFFAOYSA-N 0 0 415.877 4.328 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nnc3c4ccccc4[nH]c3n1)CCCC2 ZINC000002745866 568806040 /nfs/dbraw/zinc/80/60/40/568806040.db2.gz VMORDNOOZVRGGV-UHFFFAOYSA-N 0 0 420.523 4.049 50 30 HIEARN CC[C@@H](C)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C(=O)c2ccccc2C1=O ZINC000001196822 568822647 /nfs/dbraw/zinc/82/26/47/568822647.db2.gz JLKZSNDEWBYHLO-YJYMSZOUSA-N 0 0 421.522 4.148 50 30 HIEARN O=C1c2ccccc2C(=O)C(NCc2ncc(C(F)(F)F)cc2Cl)=C1Cl ZINC000263639954 568824225 /nfs/dbraw/zinc/82/42/25/568824225.db2.gz PREFSVOFPNPSPS-UHFFFAOYSA-N 0 0 401.171 4.373 50 30 HIEARN CCN(CC)C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O ZINC000005900378 568828745 /nfs/dbraw/zinc/82/87/45/568828745.db2.gz OIIDZZXPJOMYTE-MOSHPQCFSA-N 0 0 411.454 4.469 50 30 biogenic HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005931415 568829960 /nfs/dbraw/zinc/82/99/60/568829960.db2.gz CSQCQABMFKLXLP-SCLBCKFNSA-N 0 0 424.570 4.291 50 30 HIEARN COc1ccc(-c2csc3ncnc(NCCNc4ccc(C#N)cn4)c23)cc1 ZINC000031577054 568836434 /nfs/dbraw/zinc/83/64/34/568836434.db2.gz FMEYFSFBHHLLOS-UHFFFAOYSA-N 0 0 402.483 4.158 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000012533562 568844600 /nfs/dbraw/zinc/84/46/00/568844600.db2.gz GFIVMQTTZIHLJS-UHFFFAOYSA-N 0 0 414.534 4.062 50 30 HIEARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)cc12 ZINC000003242011 568847923 /nfs/dbraw/zinc/84/79/23/568847923.db2.gz UZCKUWACNWAHLS-UHFFFAOYSA-N 0 0 416.462 4.063 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)c2cc3ccccc3cc2O)sc2c1CCCC2 ZINC000003313105 568878648 /nfs/dbraw/zinc/87/86/48/568878648.db2.gz XROCSTDZLUHJSV-UHFFFAOYSA-N 0 0 406.463 4.153 50 30 HIEARN C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2sc(C)c(C)c2c1=O ZINC000003319277 568879852 /nfs/dbraw/zinc/87/98/52/568879852.db2.gz KFEGLXFZHOCNPL-CHWSQXEVSA-N 0 0 405.589 4.142 50 30 HIEARN N#Cc1cccc(S(=O)(=O)n2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000012638315 568884035 /nfs/dbraw/zinc/88/40/35/568884035.db2.gz RFKHXEUZVSMTMF-UHFFFAOYSA-N 0 0 423.881 4.377 50 30 HIEARN N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000078564788 568885734 /nfs/dbraw/zinc/88/57/34/568885734.db2.gz PGEYFHXCHILILR-CQSZACIVSA-N 0 0 414.391 4.031 50 30 HIEARN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1cc2c(s1)CCCCC2 ZINC000031566353 568928330 /nfs/dbraw/zinc/92/83/30/568928330.db2.gz QTQVKQCLNZQLQM-UHFFFAOYSA-N 0 0 419.554 4.019 50 30 HIEARN C=C(Br)CNC(=O)c1ccc(-c2cccc(Br)c2)nc1C ZINC000058368987 568928362 /nfs/dbraw/zinc/92/83/62/568928362.db2.gz NASCPVZYOURTJG-UHFFFAOYSA-N 0 0 410.109 4.458 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004004715 568932980 /nfs/dbraw/zinc/93/29/80/568932980.db2.gz GGIPIZZLMZDVBP-SMIHKQSGSA-N 0 0 422.481 4.302 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(=O)[nH]c(=S)[nH]c1N2 ZINC000004004814 568933033 /nfs/dbraw/zinc/93/30/33/568933033.db2.gz IXBSJVSSJHWAES-LBPRGKRZSA-N 0 0 404.289 4.172 50 30 aggregator HIEARN Oc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(O)c1 ZINC000004016919 568933785 /nfs/dbraw/zinc/93/37/85/568933785.db2.gz PAVYNXVAYPYRFY-OEAKJJBVSA-N 0 0 413.441 4.216 50 30 HIEARN C#C[C@@](C)(CC)NC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000001421915 568938239 /nfs/dbraw/zinc/93/82/39/568938239.db2.gz VXOCTEILHCVIAM-NRFANRHFSA-N 0 0 412.415 4.045 50 30 HIEARN C#C[C@](C)(CC)NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000001421930 568938331 /nfs/dbraw/zinc/93/83/31/568938331.db2.gz JKLCUFUXUWAMMM-QGZVFWFLSA-N 0 0 408.861 4.278 50 30 HIEARN C#C[C@](C)(CC)NC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000001423077 568938490 /nfs/dbraw/zinc/93/84/90/568938490.db2.gz HZXGFFPXMXJYPE-HXUWFJFHSA-N 0 0 400.404 4.255 50 30 HIEARN COc1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CCC3)OCO5)cc1 ZINC000004090693 568942243 /nfs/dbraw/zinc/94/22/43/568942243.db2.gz IPRPGYVIEJKXFL-LJQANCHMSA-N 0 0 401.462 4.427 50 30 biogenic HIEARN C[C@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000004246723 568953629 /nfs/dbraw/zinc/95/36/29/568953629.db2.gz ZEQLHRQOSRQLJZ-KRWDZBQOSA-N 0 0 415.449 4.251 50 30 HIEARN CCNc1ccc(C#N)cc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000084791122 568959684 /nfs/dbraw/zinc/95/96/84/568959684.db2.gz OAFVVSHJBDXVAO-UHFFFAOYSA-N 0 0 420.542 4.425 50 30 HIEARN C=CCc1ccc(OCCOc2ccc(I)cc2)c(OC)c1 ZINC000004702095 568964085 /nfs/dbraw/zinc/96/40/85/568964085.db2.gz PTKIJHDPMUTZDF-UHFFFAOYSA-N 0 0 410.251 4.486 50 30 HIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1OC ZINC000004944157 568964626 /nfs/dbraw/zinc/96/46/26/568964626.db2.gz LLBBOFLAFLWYFL-MRXNPFEDSA-N 0 0 407.857 4.225 50 30 HIEARN C=CC/N=c1/scc(-c2ccccc2)n1NC(=O)c1ccc(Br)cc1 ZINC000005480559 568965458 /nfs/dbraw/zinc/96/54/58/568965458.db2.gz SOOHADDSLSDJJE-XUTLUUPISA-N 0 0 414.328 4.450 50 30 HIEARN C=C(C)C(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000006614174 568968767 /nfs/dbraw/zinc/96/87/67/568968767.db2.gz YMHPNLUYVDEYCI-XMMPIXPASA-N 0 0 400.386 4.442 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(OC)cc1 ZINC000009478866 568986633 /nfs/dbraw/zinc/98/66/33/568986633.db2.gz GBSHQYSWODFBJU-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000008365499 568995291 /nfs/dbraw/zinc/99/52/91/568995291.db2.gz QICKMAOZUGSFIB-HNNXBMFYSA-N 0 0 413.572 4.248 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2sc(CC)cc2c1=O ZINC000013129413 568998426 /nfs/dbraw/zinc/99/84/26/568998426.db2.gz MYGQVBSOKPLDHO-CYBMUJFWSA-N 0 0 424.551 4.197 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccc(C)cc1 ZINC000013804911 569000628 /nfs/dbraw/zinc/00/06/28/569000628.db2.gz XHNPSHRFHYPDTN-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccc(OC)cc1 ZINC000013805428 569000816 /nfs/dbraw/zinc/00/08/16/569000816.db2.gz KGWKWZUEHMYQJI-UHFFFAOYSA-N 0 0 424.526 4.269 50 30 HIEARN C=CCn1c(CNC(=O)/C=C/c2cccs2)nnc1SCc1cccc(C)c1 ZINC000014973047 569003981 /nfs/dbraw/zinc/00/39/81/569003981.db2.gz LNPPWBJTHRIZIR-MDZDMXLPSA-N 0 0 410.568 4.456 50 30 HIEARN COc1cc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)cc(OC)c1OC ZINC000008469940 569004325 /nfs/dbraw/zinc/00/43/25/569004325.db2.gz MXBLIARBKKNPKQ-MDZDMXLPSA-N 0 0 405.454 4.397 50 30 aggregator HIEARN COc1cc(OC)c([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1OC ZINC000008467317 569004330 /nfs/dbraw/zinc/00/43/30/569004330.db2.gz COJPWEFFRMUVFR-OAQYLSRUSA-N 0 0 417.461 4.014 50 30 HIEARN C=CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000016702580 569005392 /nfs/dbraw/zinc/00/53/92/569005392.db2.gz HDVDFZOMLWVHOJ-GFCCVEGCSA-N 0 0 407.825 4.237 50 30 HIEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1cccc(F)c1)sc1c2CCC1 ZINC000000784803 569006060 /nfs/dbraw/zinc/00/60/60/569006060.db2.gz ULIRFFVKIICZKG-UHFFFAOYSA-N 0 0 415.515 4.003 50 30 HIEARN C#CCN1C(=O)S/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000001164683 569006331 /nfs/dbraw/zinc/00/63/31/569006331.db2.gz ACYHHRVYILKMKZ-KBVGCWLLSA-N 0 0 424.316 4.305 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000002087835 569006900 /nfs/dbraw/zinc/00/69/00/569006900.db2.gz QRBMJHMEYIAWHB-UHFFFAOYSA-N 0 0 412.536 4.116 50 30 HIEARN CC(C)(C)/N=C1\[C@@H](N2CCSCC2)C(C)(C)C(=S)N1c1ccc(C#N)cc1 ZINC000015861725 569015433 /nfs/dbraw/zinc/01/54/33/569015433.db2.gz MAHTYPNFOQDNOD-SPJFCROGSA-N 0 0 400.617 4.346 50 30 HIEARN C=CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017090728 569016968 /nfs/dbraw/zinc/01/69/68/569016968.db2.gz FLPPGTYNSPRLJI-GFCCVEGCSA-N 0 0 416.532 4.172 50 30 HIEARN COc1ccc(OC)c(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn32)c1 ZINC000015961115 569024749 /nfs/dbraw/zinc/02/47/49/569024749.db2.gz JZEOFHUUMSAGFZ-ZVHZXABRSA-N 0 0 403.438 4.483 50 30 HIEARN CC1(C)C=C(CN2CCOCC2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)cc1 ZINC000575473187 569029971 /nfs/dbraw/zinc/02/99/71/569029971.db2.gz LTHCCZFCUTWERY-YYADALCUSA-N 0 0 421.928 4.315 50 30 HIEARN COC(=O)c1sccc1NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21 ZINC000006228839 569033618 /nfs/dbraw/zinc/03/36/18/569033618.db2.gz RDNXTBUBGJYFKC-MOHJPFBDSA-N 0 0 409.442 4.037 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc2ccccc21 ZINC000006238897 569034332 /nfs/dbraw/zinc/03/43/32/569034332.db2.gz XKCWOWWFSMQCLJ-QFIPXVFZSA-N 0 0 401.462 4.455 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000006238984 569034356 /nfs/dbraw/zinc/03/43/56/569034356.db2.gz QAKMZGWIYFYAMO-QGZVFWFLSA-N 0 0 406.265 4.218 50 30 HIEARN N#CCCN(C(=O)COC(=O)c1ccccc1SC(F)F)c1ccc(F)cc1 ZINC000012977533 569042392 /nfs/dbraw/zinc/04/23/92/569042392.db2.gz UABLDMHDIXAWOD-UHFFFAOYSA-N 0 0 408.401 4.244 50 30 HIEARN C=CCn1c(S[C@@H](C)c2nc(CCC)no2)nnc1[C@H]1COc2ccccc2O1 ZINC000012979060 569042641 /nfs/dbraw/zinc/04/26/41/569042641.db2.gz ZGBQEXBAFIRURG-XJKSGUPXSA-N 0 0 413.503 4.165 50 30 HIEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccc(Br)s2)cc1 ZINC000006364036 569045971 /nfs/dbraw/zinc/04/59/71/569045971.db2.gz ISTKZTJIMSTJTM-LICLKQGHSA-N 0 0 401.351 4.121 50 30 HIEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006412944 569046936 /nfs/dbraw/zinc/04/69/36/569046936.db2.gz BAYWHAMXOQLZIJ-NRFANRHFSA-N 0 0 416.433 4.331 50 30 HIEARN C=CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C/C(=O)OC)cc2OC)cc1OC ZINC000029623372 569047807 /nfs/dbraw/zinc/04/78/07/569047807.db2.gz WRXGBFYNFMMUOY-QHKWOANTSA-N 0 0 424.449 4.074 50 30 HIEARN CS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1 ZINC000026728570 569053832 /nfs/dbraw/zinc/05/38/32/569053832.db2.gz RPALGASVPSCWCC-UHFFFAOYSA-N 0 0 423.519 4.333 50 30 HIEARN CCOC(=O)CC(=O)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 ZINC000001858979 569056709 /nfs/dbraw/zinc/05/67/09/569056709.db2.gz FSZNVOVILYVKMT-UHFFFAOYSA-N 0 0 400.525 4.175 50 30 HIEARN C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@H]1CCc2ccccc21 ZINC000089286302 569057314 /nfs/dbraw/zinc/05/73/14/569057314.db2.gz IRWUUSSILSCYFM-NRFANRHFSA-N 0 0 416.550 4.476 50 30 HIEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000252394230 569057866 /nfs/dbraw/zinc/05/78/66/569057866.db2.gz AFTWKQIYGDIQGK-UHFFFAOYSA-N 0 0 407.949 4.294 50 30 HIEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc2c(cc1Br)OCO2 ZINC000006473675 569058139 /nfs/dbraw/zinc/05/81/39/569058139.db2.gz SZLPDRQFVFOBJX-CHHVJCJISA-N 0 0 403.257 4.069 50 30 HIEARN CCc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4F)CC3)c2c1 ZINC000064473977 569063581 /nfs/dbraw/zinc/06/35/81/569063581.db2.gz CKXJCBLUVLQRBT-UHFFFAOYSA-N 0 0 416.500 4.341 50 30 HIEARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccc(C#N)cc4)c3)n2)cc1 ZINC000064747795 569089065 /nfs/dbraw/zinc/08/90/65/569089065.db2.gz JGZBHGCLYIXQIJ-UHFFFAOYSA-N 0 0 416.462 4.385 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006720086 569098002 /nfs/dbraw/zinc/09/80/02/569098002.db2.gz KAMILXCMBMDGQG-IFMALSPDSA-N 0 0 421.493 4.015 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OC)cc1 ZINC000006732461 569103482 /nfs/dbraw/zinc/10/34/82/569103482.db2.gz DKQGYYFKYVRXMI-OAQYLSRUSA-N 0 0 421.449 4.056 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000006732556 569103632 /nfs/dbraw/zinc/10/36/32/569103632.db2.gz RYORSBVFANXGIB-FQEVSTJZSA-N 0 0 401.470 4.007 50 30 HIEARN CCSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1C(=O)CCCC1=N2 ZINC000006738218 569106500 /nfs/dbraw/zinc/10/65/00/569106500.db2.gz ANSUWNLWOOVCES-OAHLLOKOSA-N 0 0 405.321 4.175 50 30 HIEARN CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006812722 569136640 /nfs/dbraw/zinc/13/66/40/569136640.db2.gz YKRMQSWLSLLORJ-OAQYLSRUSA-N 0 0 402.450 4.124 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000006813573 569136897 /nfs/dbraw/zinc/13/68/97/569136897.db2.gz TVJUWSBWUAFMJB-IEBWSBKVSA-N 0 0 415.848 4.236 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000006883142 569168493 /nfs/dbraw/zinc/16/84/93/569168493.db2.gz FWHSUZSULNMWBD-UHFFFAOYSA-N 0 0 402.903 4.266 50 30 HIEARN Cc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2F)C1=O ZINC000006896030 569175822 /nfs/dbraw/zinc/17/58/22/569175822.db2.gz SFZNOGPPKNVNFJ-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN N#Cc1ccc(C(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)c(F)c1 ZINC000065096827 569176461 /nfs/dbraw/zinc/17/64/61/569176461.db2.gz BPBLTRLGJWVJQZ-QHCPKHFHSA-N 0 0 413.452 4.148 50 30 HIEARN N#CCn1c(=O)c2ccccc2nc1CSc1nc(-c2ccc(F)cc2)cs1 ZINC000007003431 569199190 /nfs/dbraw/zinc/19/91/90/569199190.db2.gz PXSKXWNXAJWELN-UHFFFAOYSA-N 0 0 408.483 4.475 50 30 HIEARN N#Cc1cccc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000007214302 569228913 /nfs/dbraw/zinc/22/89/13/569228913.db2.gz XCRYZIZLVBGOIO-NRFANRHFSA-N 0 0 401.491 4.150 50 30 HIEARN COc1ccc(Nc2oc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc2C#N)cc1 ZINC000007275723 569231724 /nfs/dbraw/zinc/23/17/24/569231724.db2.gz UNVMPDZOEFDBLL-BJMVGYQFSA-N 0 0 407.426 4.495 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(OC)c1 ZINC000170615290 569247219 /nfs/dbraw/zinc/24/72/19/569247219.db2.gz XFRHIJLZQJVDCM-GMAHTHKFSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(OC)c1 ZINC000170615292 569247297 /nfs/dbraw/zinc/24/72/97/569247297.db2.gz XFRHIJLZQJVDCM-GGAORHGYSA-N 0 0 410.466 4.032 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000014087984 569258514 /nfs/dbraw/zinc/25/85/14/569258514.db2.gz JLWLJRZOYJMULY-UHFFFAOYSA-N 0 0 416.453 4.052 50 30 HIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000014633641 569261082 /nfs/dbraw/zinc/26/10/82/569261082.db2.gz CHVNDISXTHLNMX-UHFFFAOYSA-N 0 0 412.921 4.078 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006694413 569279994 /nfs/dbraw/zinc/27/99/94/569279994.db2.gz UURPPMWQDANQOD-JOCHJYFZSA-N 0 0 403.482 4.005 50 30 HIEARN C=CCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002096273 569280924 /nfs/dbraw/zinc/28/09/24/569280924.db2.gz IYAOGRVLVMBETK-DHLKQENFSA-N 0 0 413.521 4.162 50 30 biogenic HIEARN CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000007605294 569295191 /nfs/dbraw/zinc/29/51/91/569295191.db2.gz GCRIKWRAMRFDIZ-LLVKDONJSA-N 0 0 404.561 4.447 50 30 HIEARN CC(N=Nc1nnc2c3ccccc3n(C)c2n1)c1ccc(Br)s1 ZINC000252595338 569296469 /nfs/dbraw/zinc/29/64/69/569296469.db2.gz BZPWLHPAFIEWBF-UHFFFAOYSA-N 0 0 401.293 4.177 50 30 HIEARN COc1ccc(C[C@H]2SC(=NN=Cc3ccco3)N(c3ccccc3)C2=O)cc1 ZINC000252599919 569296766 /nfs/dbraw/zinc/29/67/66/569296766.db2.gz DMRLKRJDAJNMDH-HXUWFJFHSA-N 0 0 405.479 4.369 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C(C)=O)c2)SC1=Nc1ccc(C)cc1 ZINC000252612451 569300446 /nfs/dbraw/zinc/30/04/46/569300446.db2.gz ITOMUQZLARTKSY-FQEVSTJZSA-N 0 0 421.522 4.344 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(C(C)=O)cc1 ZINC000252616878 569301555 /nfs/dbraw/zinc/30/15/55/569301555.db2.gz KHRNOUZOQYWBMG-FQEVSTJZSA-N 0 0 423.538 4.486 50 30 HIEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCC)ccc1Cl ZINC000007718453 569302032 /nfs/dbraw/zinc/30/20/32/569302032.db2.gz VGCDLGGRIXPBLZ-UHFFFAOYSA-N 0 0 413.326 4.124 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)SC1=Nc1cccc(Cl)c1 ZINC000252620198 569304188 /nfs/dbraw/zinc/30/41/88/569304188.db2.gz LZHAFYGVQGABEJ-QGZVFWFLSA-N 0 0 417.918 4.329 50 30 HIEARN C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc(OC)c1O ZINC000252621832 569307797 /nfs/dbraw/zinc/30/77/97/569307797.db2.gz NHROIDQBWYZFLQ-UBWZAKNHSA-N 0 0 424.522 4.380 50 30 HIEARN COc1ccc(C=Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC ZINC000252625171 569309979 /nfs/dbraw/zinc/30/99/79/569309979.db2.gz QEOWRGVRLAUYCM-UHFFFAOYSA-N 0 0 405.479 4.333 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(C)C2=O)cc1 ZINC000252626798 569310752 /nfs/dbraw/zinc/31/07/52/569310752.db2.gz RFVPYXZNJFCFLP-NPPZMEKISA-N 0 0 408.479 4.272 50 30 HIEARN CCCCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc21 ZINC000002247330 569324327 /nfs/dbraw/zinc/32/43/27/569324327.db2.gz RWLFLOZDIWDAMC-AFUMVMLFSA-N 0 0 420.542 4.421 50 30 HIEARN CCCCNC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002247634 569324355 /nfs/dbraw/zinc/32/43/55/569324355.db2.gz BBVGQLNOJMWRNX-LGJNPRDNSA-N 0 0 420.904 4.232 50 30 HIEARN COc1cc(C=NN2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000019790537 569357325 /nfs/dbraw/zinc/35/73/25/569357325.db2.gz JOUYRPQDDQPXSH-UHFFFAOYSA-N 0 0 415.537 4.426 50 30 HIEARN CN1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2cc(F)ccc21 ZINC000253419021 569367710 /nfs/dbraw/zinc/36/77/10/569367710.db2.gz HCYHPLRAVQEVCX-UHFFFAOYSA-N 0 0 405.429 4.356 50 30 HIEARN C=CCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002295778 569369343 /nfs/dbraw/zinc/36/93/43/569369343.db2.gz YUJGOWBYLFHJCH-UHFFFAOYSA-N 0 0 411.387 4.091 50 30 HIEARN C#CC[C@]1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C ZINC000253432078 569370024 /nfs/dbraw/zinc/37/00/24/569370024.db2.gz IWEZZKHBCXJXKP-QMTMVMCOSA-N 0 0 402.457 4.017 50 30 HIEARN O=S(=O)(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000002300564 569372097 /nfs/dbraw/zinc/37/20/97/569372097.db2.gz CQAPIRAUCPZAFR-HYARGMPZSA-N 0 0 400.887 4.231 50 30 HIEARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C#N)cc4)c3n2)cc1 ZINC000000649068 569383929 /nfs/dbraw/zinc/38/39/29/569383929.db2.gz JYCVCVAWTABLPY-UHFFFAOYSA-N 0 0 419.391 4.466 50 30 HIEARN COc1ccc(CCN2CCc3c2n2c4ccccc4nc2c(C#N)c3C)cc1OC ZINC000000707782 569384116 /nfs/dbraw/zinc/38/41/16/569384116.db2.gz QKTROTCJGIVMQM-UHFFFAOYSA-N 0 0 412.493 4.290 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc(Br)o1 ZINC000018159331 569385095 /nfs/dbraw/zinc/38/50/95/569385095.db2.gz LODWRJKHDVAGNI-YBEGLDIGSA-N 0 0 404.260 4.080 50 30 HIEARN CC[C@@H](C)NC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002368847 569388473 /nfs/dbraw/zinc/38/84/73/569388473.db2.gz MBENMSCSPAWAKL-CJCQAYSXSA-N 0 0 420.904 4.231 50 30 HIEARN COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(C)cc3)N3CCOCC3)o2)cc1 ZINC000027750040 569392941 /nfs/dbraw/zinc/39/29/41/569392941.db2.gz XUCMVFGFYGEUSD-JOCHJYFZSA-N 0 0 418.497 4.016 50 30 HIEARN O=C1C[C@H]2c3ccccc3CCN2C(=O)[C@H]1/C=N/OCc1ccc(Cl)cc1Cl ZINC000012961074 569405540 /nfs/dbraw/zinc/40/55/40/569405540.db2.gz MOVLVBZQGVQSQG-KXMUCOEASA-N 0 0 417.292 4.211 50 30 HIEARN Cc1cccc(OCCNC(=O)Cn2c(=O)ccc3c(Br)cccc32)c1 ZINC000328593629 569415540 /nfs/dbraw/zinc/41/55/40/569415540.db2.gz PXIYCPDHVYWLIP-UHFFFAOYSA-N 0 0 415.287 4.108 50 30 HIEARN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000328596594 569416112 /nfs/dbraw/zinc/41/61/12/569416112.db2.gz GOFGLOVIFQXHEL-OAHLLOKOSA-N 0 0 418.501 4.281 50 30 HIEARN O=[N+]([O-])c1ccc2c(c1)[C@H](C#Cc1ccccc1)[C@@H]1CCCC[C@]1(N1CCOCC1)O2 ZINC000019770721 569429662 /nfs/dbraw/zinc/42/96/62/569429662.db2.gz SKBBHBNUUXAXJS-RSEQLOHWSA-N 0 0 418.493 4.341 50 30 HIEARN Cc1cccc(NC(=O)CSc2nc(N)c(C#N)c(-c3ccc(F)cc3)c2C#N)c1 ZINC000019805311 569430543 /nfs/dbraw/zinc/43/05/43/569430543.db2.gz SUKXZTIMSFOUOU-UHFFFAOYSA-N 0 0 417.469 4.252 50 30 HIEARN COc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1 ZINC000019815812 569430549 /nfs/dbraw/zinc/43/05/49/569430549.db2.gz MXJSCHCQFUMPMD-UHFFFAOYSA-N 0 0 400.463 4.058 50 30 HIEARN N#Cc1c(N)nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2c1-c1ccccc1 ZINC000019832314 569430884 /nfs/dbraw/zinc/43/08/84/569430884.db2.gz ALHAHKARGFYWQR-UHFFFAOYSA-N 0 0 415.434 4.139 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1ccncc1 ZINC000045939579 571040539 /nfs/dbraw/zinc/04/05/39/571040539.db2.gz HXZNQXRNHZCVTQ-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN CCOc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)cc1 ZINC000038653236 571052502 /nfs/dbraw/zinc/05/25/02/571052502.db2.gz XEHCNWUPEAJDRL-UHFFFAOYSA-N 0 0 418.472 4.499 50 30 HIEARN CCOc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000038654403 571052790 /nfs/dbraw/zinc/05/27/90/571052790.db2.gz PEUSQUSYFRPSRJ-UHFFFAOYSA-N 0 0 400.482 4.360 50 30 HIEARN COc1ccc(CNc2oc(/C=C/c3cc(OC)c(OC)c(OC)c3)nc2C#N)cc1 ZINC000008474757 571053244 /nfs/dbraw/zinc/05/32/44/571053244.db2.gz CJVJWRZJICFBEL-JXMROGBWSA-N 0 0 421.453 4.363 50 30 HIEARN Cc1ccc(S(=O)(=O)Nc2ccccc2C=NNc2nc3ccccc3n2C)cc1 ZINC000067317186 571076322 /nfs/dbraw/zinc/07/63/22/571076322.db2.gz YRTASHNVVQDUTR-HZHRSRAPSA-N 0 0 419.510 4.129 50 30 HIEARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000008860896 571128446 /nfs/dbraw/zinc/12/84/46/571128446.db2.gz AMZGVQWBJUNSGQ-UHFFFAOYSA-N 0 0 423.567 4.041 50 30 HIEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000040089613 571159768 /nfs/dbraw/zinc/15/97/68/571159768.db2.gz ISZDQCXYHIKIJT-RBBKRZOGSA-N 0 0 422.488 4.311 50 30 HIEARN N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCNC(=O)c2ccccc2)cc1 ZINC000040146409 571196183 /nfs/dbraw/zinc/19/61/83/571196183.db2.gz WYSUARBEXFJQSL-UHFFFAOYSA-N 0 0 415.468 4.046 50 30 HIEARN C[C@@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 ZINC000008990567 571206648 /nfs/dbraw/zinc/20/66/48/571206648.db2.gz XVAFXYFJCVMTQN-DVOYWYKUSA-N 0 0 420.490 4.226 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2c(c1)OCO2 ZINC000009290069 571245453 /nfs/dbraw/zinc/24/54/53/571245453.db2.gz QUSNXBIQDNQIPO-UHFFFAOYSA-N 0 0 422.510 4.207 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(C)cc1 ZINC000009303754 571246304 /nfs/dbraw/zinc/24/63/04/571246304.db2.gz BLTJJBVKYTYIOT-OAHLLOKOSA-N 0 0 422.510 4.288 50 30 HIEARN C=CCn1c(C)nn(CN2CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1=S ZINC000069921206 571249845 /nfs/dbraw/zinc/24/98/45/571249845.db2.gz DEPKHUICPUDIRR-SFHVURJKSA-N 0 0 423.627 4.224 50 30 HIEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000009360328 571251554 /nfs/dbraw/zinc/25/15/54/571251554.db2.gz WHAXUFUBAAVZCY-HYARGMPZSA-N 0 0 404.499 4.295 50 30 HIEARN C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 ZINC000009511173 571264187 /nfs/dbraw/zinc/26/41/87/571264187.db2.gz QPJJSHOTXUSQFG-KRWDZBQOSA-N 0 0 423.476 4.038 50 30 HIEARN COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 ZINC000009530784 571266861 /nfs/dbraw/zinc/26/68/61/571266861.db2.gz XTNZCJUENVESKG-XKZIYDEJSA-N 0 0 422.458 4.388 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(C3CC3)n1-c1ccccc1)CCC2 ZINC000009717070 571281696 /nfs/dbraw/zinc/28/16/96/571281696.db2.gz TUMJSZBQSVBEOJ-UHFFFAOYSA-N 0 0 421.551 4.297 50 30 HIEARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000071328149 571292502 /nfs/dbraw/zinc/29/25/02/571292502.db2.gz BRQQMAGGLORVRP-UHFFFAOYSA-N 0 0 415.478 4.236 50 30 HIEARN C=C(Cl)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)c(OC)c1 ZINC000010416281 571302171 /nfs/dbraw/zinc/30/21/71/571302171.db2.gz FQGUMBPKHBOOFF-UHFFFAOYSA-N 0 0 402.903 4.307 50 30 HIEARN N#Cc1c(COC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cn2ccccc12 ZINC000010425038 571302316 /nfs/dbraw/zinc/30/23/16/571302316.db2.gz NLTJPRLCKPLDLR-GOSISDBHSA-N 0 0 411.870 4.011 50 30 HIEARN C=CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000010510990 571303943 /nfs/dbraw/zinc/30/39/43/571303943.db2.gz JQLZQZUTFPOXKT-UHFFFAOYSA-N 0 0 400.887 4.483 50 30 HIEARN CC(C)NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000004953518 845074192 /nfs/dbraw/zinc/07/41/92/845074192.db2.gz LWSUGGHMDIHMTF-UHFFFAOYSA-N 0 0 415.740 4.236 50 30 HIEARN O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000006566058 845211862 /nfs/dbraw/zinc/21/18/62/845211862.db2.gz YPLXRWXLLHDKCO-KRXBUXKQSA-N 0 0 408.395 4.340 50 30 HIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000018066103 846291123 /nfs/dbraw/zinc/29/11/23/846291123.db2.gz KGGBQCZYPBTKRJ-UNOMPAQXSA-N 0 0 415.522 4.479 50 30 HIEARN C=CCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OCCCC)cc1 ZINC000022257930 846551241 /nfs/dbraw/zinc/55/12/41/846551241.db2.gz NUGXOCNNLZJBNM-LTGZKZEYSA-N 0 0 424.453 4.274 50 30 HIEARN CCOc1cc(/C=C\C(=O)c2ccccc2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000033523811 848136948 /nfs/dbraw/zinc/13/69/48/848136948.db2.gz ZHDIHUHJGZHJQE-LUAWRHEFSA-N 0 0 421.453 4.474 50 30 HIEARN CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000096767049 852554813 /nfs/dbraw/zinc/55/48/13/852554813.db2.gz BVHABBGPRKKOCY-WTKPLQERSA-N 0 0 401.890 4.480 50 30 HIEARN Cc1cc(/C=C\C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc(C)c1OC(F)F ZINC000096765461 852555140 /nfs/dbraw/zinc/55/51/40/852555140.db2.gz HKVIBQFTFNDWGJ-YHYXMXQVSA-N 0 0 403.425 4.268 50 30 HIEARN C[C@H](OC(=O)/C=C\c1cccc2cccnc12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000096973085 852566020 /nfs/dbraw/zinc/56/60/20/852566020.db2.gz SVFAFJZPAXUNKG-GDAGCXPBSA-N 0 0 405.841 4.343 50 30 HIEARN Cc1nc(C)c(C(=O)C=Cc2cn(Cc3ccccc3)nc2-c2cccs2)c(=O)[nH]1 ZINC000096991431 852568823 /nfs/dbraw/zinc/56/88/23/852568823.db2.gz SOTXJNFYAYNCQC-KHPPLWFESA-N 0 0 416.506 4.256 50 30 HIEARN C=CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C\C(=O)OC)cc2OC)cc1OC ZINC000098004240 852649883 /nfs/dbraw/zinc/64/98/83/852649883.db2.gz WRXGBFYNFMMUOY-QRBCZBMESA-N 0 0 424.449 4.074 50 30 HIEARN CCOC(=O)[C@@](C)(F)OC(F)(F)[C@](C)(F)OC(F)(F)C(F)(F)C(F)(F)F ZINC000100523281 852658788 /nfs/dbraw/zinc/65/87/88/852658788.db2.gz QCMMOZMMCFWTBJ-NKWVEPMBSA-N 0 0 416.183 4.337 50 30 HIEARN O=C1c2ccccc2C(NS(=O)(=O)c2ccc(F)cc2)=CC1=Nc1ccccc1 ZINC000103455832 852667970 /nfs/dbraw/zinc/66/79/70/852667970.db2.gz MTJRSAYEZSHDLI-QQTULTPQSA-N 0 0 406.438 4.196 50 30 HIEARN C[C@@H](ON=C(N)c1ccc(Oc2ccccc2)nc1)c1noc(-c2ccccc2)n1 ZINC000170616324 853667962 /nfs/dbraw/zinc/66/79/62/853667962.db2.gz MVUAUDRBAGDQIQ-OAHLLOKOSA-N 0 0 401.426 4.322 50 30 HIEARN CCOC(=O)c1c2c(sc1NC(=S)NN=Cc1ccc(F)cc1)CCCC2 ZINC000254488743 854211812 /nfs/dbraw/zinc/21/18/12/854211812.db2.gz LBCZZBTUCRHXJG-UHFFFAOYSA-N 0 0 405.520 4.263 50 30 HIEARN N#Cc1ccc(N2Cc3ccccc3C2=NC(=O)c2cncc(Br)c2)cc1 ZINC000254487057 854211856 /nfs/dbraw/zinc/21/18/56/854211856.db2.gz OAPYCMDQTMOYMM-UHFFFAOYSA-N 0 0 417.266 4.323 50 30 HIEARN O=C1NC2(CCCCC2)C(=O)N1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000254613137 854212700 /nfs/dbraw/zinc/21/27/00/854212700.db2.gz VBOROEJQTAMENE-UHFFFAOYSA-N 0 0 413.481 4.128 50 30 HIEARN COc1cc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)ccc1OC(F)F ZINC000254565468 854212751 /nfs/dbraw/zinc/21/27/51/854212751.db2.gz DSWPLWSNBZBOAH-ZIAGYGMSSA-N 0 0 404.413 4.013 50 30 HIEARN COc1ccc(N=Cc2c(Nc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 ZINC000254770433 854214361 /nfs/dbraw/zinc/21/43/61/854214361.db2.gz DBZSHJLAPLDFKY-UHFFFAOYSA-N 0 0 400.438 4.206 50 30 HIEARN COc1ccc(C=NNC(=S)Nc2ccccc2C(F)(F)F)c(OC)c1OC ZINC000254873773 854215908 /nfs/dbraw/zinc/21/59/08/854215908.db2.gz IABZQACDFQBHJG-UHFFFAOYSA-N 0 0 413.421 4.052 50 30 HIEARN C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2C)c2cccc(Cl)c21 ZINC000032092264 518266001 /nfs/dbraw/zinc/26/60/01/518266001.db2.gz APJPSBHROBKIAX-QHCPKHFHSA-N 0 0 416.868 4.092 50 30 HIEARN C=CCCC(=O)NC[C@@H]1Cc2cc(-c3cc(OC)ccc3OC)cc(Cl)c2O1 ZINC000012217992 518694998 /nfs/dbraw/zinc/69/49/98/518694998.db2.gz RXKPOELUTDZFOL-KRWDZBQOSA-N 0 0 401.890 4.410 50 30 HIEARN C=CCN(CC=C)C(=O)CN(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000032909355 518763421 /nfs/dbraw/zinc/76/34/21/518763421.db2.gz ZADQOECCNSYSBD-FQEVSTJZSA-N 0 0 405.542 4.409 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C)[C@H]1CCS(=O)(=O)C1 ZINC000019222673 518796822 /nfs/dbraw/zinc/79/68/22/518796822.db2.gz PILOSSHEQNVMTL-QFIPXVFZSA-N 0 0 422.550 4.492 50 30 HIEARN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2cnn(-c3ccccc3)c2)C(C)(C)C1 ZINC000328589537 518813955 /nfs/dbraw/zinc/81/39/55/518813955.db2.gz ZHQYBXJILBQSIU-LJQANCHMSA-N 0 0 412.534 4.407 50 30 HIEARN C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000020353783 518836922 /nfs/dbraw/zinc/83/69/22/518836922.db2.gz LZCZFKULMAZISI-OAQYLSRUSA-N 0 0 421.497 4.136 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N/c1cccc(OC)c1 ZINC000101573242 518842379 /nfs/dbraw/zinc/84/23/79/518842379.db2.gz RWCSFMJOBUBZGP-RSTPCFTMSA-N 0 0 409.511 4.150 50 30 HIEARN C=CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2 ZINC000037602725 518926332 /nfs/dbraw/zinc/92/63/32/518926332.db2.gz DDSNDBCTWOXONE-ZEQRLZLVSA-N 0 0 420.553 4.276 50 30 HIEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 ZINC000008845952 519050343 /nfs/dbraw/zinc/05/03/43/519050343.db2.gz UPWPBQWIUBXPNY-QHCPKHFHSA-N 0 0 424.456 4.498 50 30 HIEARN C=CCOc1cccn2c1nc(C)c(-c1cc(C)n(-c3ccc(C)cc3C)n1)c2=O ZINC000035911388 519074320 /nfs/dbraw/zinc/07/43/20/519074320.db2.gz BLBWAXZOUSZXNG-UHFFFAOYSA-N 0 0 400.482 4.346 50 30 HIEARN C=CCc1ccccc1OCc1cc(=O)n2nc(-c3ccc(OC)cc3)sc2n1 ZINC000020858982 519146498 /nfs/dbraw/zinc/14/64/98/519146498.db2.gz HFXSABBHABRVAH-UHFFFAOYSA-N 0 0 405.479 4.134 50 30 HIEARN C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1 ZINC000044085761 519149126 /nfs/dbraw/zinc/14/91/26/519149126.db2.gz MEPPLYBDYPJKFT-UHFFFAOYSA-N 0 0 406.349 4.213 50 30 HIEARN C=CCn1c(=S)n(CN2CCN(Cc3ccsc3)CC2)nc1-c1ccccc1 ZINC000022778046 519165316 /nfs/dbraw/zinc/16/53/16/519165316.db2.gz IOFBHFRPICLUTD-UHFFFAOYSA-N 0 0 411.600 4.104 50 30 HIEARN C=CCn1c(C)cc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)c1C ZINC000008272587 519169439 /nfs/dbraw/zinc/16/94/39/519169439.db2.gz KIMQAORHYUHKAX-UHFFFAOYSA-N 0 0 402.494 4.483 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)nnc1-c1ccncc1 ZINC000020173254 519254081 /nfs/dbraw/zinc/25/40/81/519254081.db2.gz LRZCMLGSYVFNLX-ZDUSSCGKSA-N 0 0 422.539 4.255 50 30 HIEARN CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1nnnn1-c1ccccc1 ZINC000013648050 519353973 /nfs/dbraw/zinc/35/39/73/519353973.db2.gz ZARGQEQSAVOLGP-HMMYKYKNSA-N 0 0 407.286 4.076 50 30 HIEARN CCNC(=S)N/N=C/c1ccc(OC)c(CSc2nc3ccccc3s2)c1 ZINC000020352942 519902587 /nfs/dbraw/zinc/90/25/87/519902587.db2.gz YBHKFOSJOAQEDA-SRZZPIQSSA-N 0 0 416.597 4.415 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)N(c1ccc(O)cc1)C(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000001436905 520255648 /nfs/dbraw/zinc/25/56/48/520255648.db2.gz RJRXBLCTYDBNFS-SFHVURJKSA-N 0 0 406.438 4.464 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn(Cc3ccco3)c(=N)c1[C@@H]2c1ccccc1 ZINC000101147455 520270278 /nfs/dbraw/zinc/27/02/78/520270278.db2.gz AQKUNUCDZWXFPG-LJQANCHMSA-N 0 0 401.466 4.171 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C)cc1 ZINC000027533212 520532155 /nfs/dbraw/zinc/53/21/55/520532155.db2.gz PAKUCNMIPVLQEX-GHTZIAJQSA-N 0 0 403.478 4.243 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cccc(O)c2)C1=O ZINC000036301358 520534815 /nfs/dbraw/zinc/53/48/15/520534815.db2.gz FZDIMNFAMICMOE-QGOAFFKASA-N 0 0 411.479 4.335 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000036258430 520537883 /nfs/dbraw/zinc/53/78/83/520537883.db2.gz LSCSEOCRRBVOLY-RQZCQDPDSA-N 0 0 413.426 4.098 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2ccc(OC)c(O)c2)C1=O ZINC000036258163 520539094 /nfs/dbraw/zinc/53/90/94/520539094.db2.gz SMOJIRZDEHTECL-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2OC)SC(=Cc2cc(C)ccc2O)C1=O ZINC000036258062 520541727 /nfs/dbraw/zinc/54/17/27/520541727.db2.gz UEMRCUBFCDVRBE-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000027547706 520806998 /nfs/dbraw/zinc/80/69/98/520806998.db2.gz VMKNOCWQUGYDKB-OAQYLSRUSA-N 0 0 421.428 4.341 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000027547757 520807542 /nfs/dbraw/zinc/80/75/42/520807542.db2.gz YAJYHNFDXXBVPK-HSZRJFAPSA-N 0 0 419.500 4.498 50 30 HIEARN CC1CCC(C#N)(N(C)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 ZINC000008073801 520912067 /nfs/dbraw/zinc/91/20/67/520912067.db2.gz USJDGMFJWKDMSX-UHFFFAOYSA-N 0 0 423.586 4.227 50 30 HIEARN CCOc1ccc(NC2=C(C(=O)OC)C(=O)C(=Cc3cc(C)ccc3O)S2)cc1 ZINC000036257687 521124410 /nfs/dbraw/zinc/12/44/10/521124410.db2.gz VRVIFWQJTWIJQL-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOc1ccc([C@H]2C3=C(Nc4nc(SC)[nH]c(=O)c42)c2ccccc2C3=O)cc1 ZINC000040382579 521268533 /nfs/dbraw/zinc/26/85/33/521268533.db2.gz QORNNIWXSIOOKR-INIZCTEOSA-N 0 0 417.490 4.468 50 30 HIEARN CCOC(=O)c1c(C)oc2c1C(=CNc1nc(C)cc(C)n1)C(=O)c1ccccc1-2 ZINC000100859162 521402830 /nfs/dbraw/zinc/40/28/30/521402830.db2.gz ZYQVUOSGBPQPOK-BOPFTXTBSA-N 0 0 403.438 4.488 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1)NCc1c(C)nn(CC)c1C ZINC000032972163 521514648 /nfs/dbraw/zinc/51/46/48/521514648.db2.gz SUZVUHHYIUAFBL-UHFFFAOYSA-N 0 0 419.529 4.317 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2cccc(OC)c2)c(C)n1 ZINC000032972817 521650918 /nfs/dbraw/zinc/65/09/18/521650918.db2.gz ONPAZMRCHWFESB-UHFFFAOYSA-N 0 0 423.492 4.147 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)cc1 ZINC000263585622 521935998 /nfs/dbraw/zinc/93/59/98/521935998.db2.gz KUNIPLHOIJFHHR-VXIUPONVSA-N 0 0 416.385 4.123 50 30 HIEARN CN(C)c1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1 ZINC000016310647 522134881 /nfs/dbraw/zinc/13/48/81/522134881.db2.gz LXEXNCOXIVSEDB-KOEQRZSOSA-N 0 0 414.534 4.249 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2ccc(OC)cc2)o1 ZINC000000649388 522877238 /nfs/dbraw/zinc/87/72/38/522877238.db2.gz CIAPRBFDUKDENW-HSZRJFAPSA-N 0 0 423.465 4.008 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102875207 523275610 /nfs/dbraw/zinc/27/56/10/523275610.db2.gz UGYNOQFPAOTSEE-SELCWUDQSA-N 0 0 420.292 4.452 50 30 HIEARN COc1ccc(/C=C\C(=O)c2ccc(I)cc2)c(OC)c1OC ZINC000033458370 523433273 /nfs/dbraw/zinc/43/32/73/523433273.db2.gz FGDUOWAMPRTBGW-POHAHGRESA-N 0 0 424.234 4.213 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000020606228 523550076 /nfs/dbraw/zinc/55/00/76/523550076.db2.gz FKNDNOXMFTYJKK-NRFANRHFSA-N 0 0 407.466 4.225 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)o2)cc1F ZINC000026459089 523564272 /nfs/dbraw/zinc/56/42/72/523564272.db2.gz NVHKHLCGCCCUEJ-LJQANCHMSA-N 0 0 411.385 4.107 50 30 HIEARN CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N/c1cccc(C(F)(F)F)c1 ZINC000100262404 523701847 /nfs/dbraw/zinc/70/18/47/523701847.db2.gz QQQLGMVYQOHSFE-OFBVGVCLSA-N 0 0 407.417 4.296 50 30 HIEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000019798439 524007203 /nfs/dbraw/zinc/00/72/03/524007203.db2.gz VWAJHVBNHSKGTF-YBTHPKLGSA-N 0 0 417.889 4.378 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000022918019 524033501 /nfs/dbraw/zinc/03/35/01/524033501.db2.gz KUUHKHLMBBIGFH-XWRWGNRUSA-N 0 0 415.581 4.198 50 30 HIEARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nc2ccccc2n1CCC#N ZINC000012602505 524323799 /nfs/dbraw/zinc/32/37/99/524323799.db2.gz QLDBEXZBGDGVSC-ZDUSSCGKSA-N 0 0 410.465 4.231 50 30 HIEARN Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=Nc2nc[nH]n2)c1 ZINC000013286084 524531343 /nfs/dbraw/zinc/53/13/43/524531343.db2.gz RNBOVLZHNVTDRS-HBUGJHHGSA-N 0 0 420.523 4.292 50 30 HIEARN Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000105886465 525483282 /nfs/dbraw/zinc/48/32/82/525483282.db2.gz XTMZLDMTKCINDM-KRFPAQGRSA-N 0 0 414.490 4.357 50 30 HIEARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2)c1C ZINC000032932341 525557436 /nfs/dbraw/zinc/55/74/36/525557436.db2.gz QCUXNKPJSLFCQM-UHFFFAOYSA-N 0 0 424.438 4.071 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)cc1 ZINC000226916611 525627379 /nfs/dbraw/zinc/62/73/79/525627379.db2.gz METFVEQLPDBOOE-UTKZUKDTSA-N 0 0 420.538 4.213 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NCCC(C)C)cc1 ZINC000032828714 525628169 /nfs/dbraw/zinc/62/81/69/525628169.db2.gz TUOQHRRJUDJENF-HXUWFJFHSA-N 0 0 408.527 4.435 50 30 HIEARN N#Cc1c2c(sc1NC(=O)COCc1cc(-c3ccc(F)cc3)on1)CCCC2 ZINC000020478976 526532546 /nfs/dbraw/zinc/53/25/46/526532546.db2.gz MNEQWVQIPVOLJI-UHFFFAOYSA-N 0 0 411.458 4.448 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3cccc(F)c3)CC2)nc1 ZINC000045514774 526641205 /nfs/dbraw/zinc/64/12/05/526641205.db2.gz ICGVKIREDHDJLQ-UHFFFAOYSA-N 0 0 404.445 4.135 50 30 HIEARN Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009575750 526675732 /nfs/dbraw/zinc/67/57/32/526675732.db2.gz YUAYSALAXRQXPW-LHSJRXKWSA-N 0 0 404.422 4.058 50 30 HIEARN N=C(N)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095676608 526816095 /nfs/dbraw/zinc/81/60/95/526816095.db2.gz VHJKOLAKAFYZMC-UHFFFAOYSA-N 0 0 412.096 4.296 50 30 HIEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3)C12 ZINC000013124502 527033197 /nfs/dbraw/zinc/03/31/97/527033197.db2.gz BJKOCRSVLPCKDM-SJKOYZFVSA-N 0 0 400.360 4.306 50 30 HIEARN O=C1Nc2c(cc(Cl)cc2Cl)/C1=N\N1CCN(Cc2ccccc2Cl)CC1 ZINC000025326804 527087760 /nfs/dbraw/zinc/08/77/60/527087760.db2.gz OOABNRGXCOJUIC-UHFFFAOYSA-N 0 0 423.731 4.121 50 30 HIEARN O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 ZINC000001506015 527140234 /nfs/dbraw/zinc/14/02/34/527140234.db2.gz FTDSEZIAMKBRFG-LQDNNDEMSA-N 0 0 413.860 4.090 50 30 HIEARN O=S(=O)(c1ccc(-c2csc(N=NCc3cccs3)n2)cc1)N1CCCC1 ZINC000015227848 527268214 /nfs/dbraw/zinc/26/82/14/527268214.db2.gz HLLKPMHVWNLQSG-XDHOZWIPSA-N 0 0 418.569 4.102 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(F)cc1)Nc1cccc(C)c1C ZINC000032973705 527622656 /nfs/dbraw/zinc/62/26/56/527622656.db2.gz LVUALTFULPSGTL-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccccc1)Nc1cccc(C)c1C ZINC000032973710 527623883 /nfs/dbraw/zinc/62/38/83/527623883.db2.gz LBCWVTQYVUUULC-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1cccc(C)c1 ZINC000032972398 527627416 /nfs/dbraw/zinc/62/74/16/527627416.db2.gz RVIAXOBDZJJXHR-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccccc1F ZINC000032972565 527627796 /nfs/dbraw/zinc/62/77/96/527627796.db2.gz IQPCCWFOVJWVOP-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccncc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647897 527660349 /nfs/dbraw/zinc/66/03/49/527660349.db2.gz JFWKJVORGWNNQU-CLFYSBASSA-N 0 0 407.433 4.000 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)n1 ZINC000000636673 557029882 /nfs/dbraw/zinc/02/98/82/557029882.db2.gz HWDXSPOZEYOOEU-GOSISDBHSA-N 0 0 419.319 4.011 50 30 HIEARN Cc1cccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000708817 557065295 /nfs/dbraw/zinc/06/52/95/557065295.db2.gz MFCOQDOQWKEJDH-GCJKJVERSA-N 0 0 409.526 4.321 50 30 biogenic HIEARN Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000000711510 557066372 /nfs/dbraw/zinc/06/63/72/557066372.db2.gz DPNRTKAEBAHJAP-OEAKJJBVSA-N 0 0 402.410 4.403 50 30 HIEARN CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000726510 557073322 /nfs/dbraw/zinc/07/33/22/557073322.db2.gz MYRYPBUEKAPHIA-NRFANRHFSA-N 0 0 413.514 4.347 50 30 HIEARN COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000820528 557092316 /nfs/dbraw/zinc/09/23/16/557092316.db2.gz LAVQQTFGGPJGDJ-OAQYLSRUSA-N 0 0 413.514 4.259 50 30 HIEARN COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(I)c1OC ZINC000001093492 557177794 /nfs/dbraw/zinc/17/77/94/557177794.db2.gz QVTDKSTUBDXZLE-UFWORHAWSA-N 0 0 410.211 4.141 50 30 HIEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000001150354 557210619 /nfs/dbraw/zinc/21/06/19/557210619.db2.gz QASKTMLJSUWCMQ-RGPPVUSESA-N 0 0 407.853 4.340 50 30 HIEARN O=C1N/C(=N/N=C/c2ccccc2Cl)S[C@@H]1Cc1ccc(Br)cc1 ZINC000001221162 557248341 /nfs/dbraw/zinc/24/83/41/557248341.db2.gz MUGGNJUNZACNOB-IXJMWADBSA-N 0 0 422.735 4.267 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000002063644 557305072 /nfs/dbraw/zinc/30/50/72/557305072.db2.gz PRVCYFTZENQXKD-JOCHJYFZSA-N 0 0 409.507 4.338 50 30 HIEARN CCCCN(CCCC)C1=C(C(=O)c2ccccc2)NS(=O)(=O)c2ccccc21 ZINC000002066484 557305953 /nfs/dbraw/zinc/30/59/53/557305953.db2.gz BNTBLSLGKNQFQI-UHFFFAOYSA-N 0 0 412.555 4.432 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000002242905 557330514 /nfs/dbraw/zinc/33/05/14/557330514.db2.gz DAJQATYXTFTAOW-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)o1 ZINC000002784260 557387672 /nfs/dbraw/zinc/38/76/72/557387672.db2.gz SWRFQWIGVHMEBX-FQEVSTJZSA-N 0 0 403.544 4.488 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1OC ZINC000002801449 557390829 /nfs/dbraw/zinc/39/08/29/557390829.db2.gz UOESYMCQHQCAFU-NRFANRHFSA-N 0 0 413.514 4.405 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000003094405 557445847 /nfs/dbraw/zinc/44/58/47/557445847.db2.gz IVHGCFIOCGOIIW-LJQANCHMSA-N 0 0 403.906 4.134 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004115230 557515649 /nfs/dbraw/zinc/51/56/49/557515649.db2.gz WYROKZYMYZSLNB-NRFANRHFSA-N 0 0 415.555 4.350 50 30 HIEARN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc21 ZINC000004116309 557515676 /nfs/dbraw/zinc/51/56/76/557515676.db2.gz ONOKTFYAQLOIIC-IIYZAJTGSA-N 0 0 401.466 4.399 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000004159531 557521465 /nfs/dbraw/zinc/52/14/65/557521465.db2.gz HCKGXUZYMIVJGZ-SBUZPKSBSA-N 0 0 408.310 4.166 50 30 HIEARN N=C(NOC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000004394504 557551435 /nfs/dbraw/zinc/55/14/35/557551435.db2.gz ZUHCQQRCRLVPAB-UHFFFAOYSA-N 0 0 407.270 4.473 50 30 HIEARN Cc1nc(C(=O)ONC(=N)c2c(C)onc2-c2c(Cl)cccc2Cl)cs1 ZINC000004394492 557551538 /nfs/dbraw/zinc/55/15/38/557551538.db2.gz FRWFGVZFCGKALM-UHFFFAOYSA-N 0 0 411.270 4.199 50 30 HIEARN CCOc1ccccc1[C@H]1C(C(=O)OCCSCC)=C(C)NC2=C1C(=O)CCC2 ZINC000004536380 557564461 /nfs/dbraw/zinc/56/44/61/557564461.db2.gz GQFHYRWUMJITKU-NRFANRHFSA-N 0 0 415.555 4.350 50 30 HIEARN CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000004663683 557578059 /nfs/dbraw/zinc/57/80/59/557578059.db2.gz MPGIKFGZUKJOPT-JJIBRWJFSA-N 0 0 407.539 4.324 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2cc(OC)ccc2OC)c1=O ZINC000004667416 557578895 /nfs/dbraw/zinc/57/88/95/557578895.db2.gz QSFTXTBVQOPZLH-WEVVVXLNSA-N 0 0 418.287 4.154 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1F ZINC000004681869 557580763 /nfs/dbraw/zinc/58/07/63/557580763.db2.gz NCYGSYMMTNQAIH-DJUDNFEDSA-N 0 0 401.438 4.111 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(SC)cc2)c1 ZINC000004914212 557613380 /nfs/dbraw/zinc/61/33/80/557613380.db2.gz NSNCAJATQHFLEJ-BEFAXECRSA-N 0 0 423.534 4.430 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)cc1OC ZINC000004915272 557613756 /nfs/dbraw/zinc/61/37/56/557613756.db2.gz YJSMGHZINMFUJA-GOEBONIOSA-N 0 0 411.885 4.362 50 30 HIEARN O=C1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004915522 557613781 /nfs/dbraw/zinc/61/37/81/557613781.db2.gz FUTRQVGXHFEHQJ-DZGCQCFKSA-N 0 0 414.820 4.392 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)c1 ZINC000004916395 557614097 /nfs/dbraw/zinc/61/40/97/557614097.db2.gz YEUYCNSFDGJIQW-DYVFJYSZSA-N 0 0 411.885 4.362 50 30 HIEARN CC(=NNc1cc(-n2nc(C)cc2C)nc(C)n1)c1c(F)c(F)c(F)c(F)c1F ZINC000004947087 557616125 /nfs/dbraw/zinc/61/61/25/557616125.db2.gz PJVMJPSXVKBSSV-JQAMDZJQSA-N 0 0 410.350 4.119 50 30 HIEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(O)c2)ccc1OC(C)C ZINC000004987374 557621382 /nfs/dbraw/zinc/62/13/82/557621382.db2.gz FHFBQEAYRARDPX-PKOBYXMFSA-N 0 0 421.493 4.192 50 30 HIEARN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000005051484 557630501 /nfs/dbraw/zinc/63/05/01/557630501.db2.gz UKKFMVZZKJGESY-UHFFFAOYSA-N 0 0 405.479 4.114 50 30 HIEARN CC(N=Nc1nnc2c3ccccc3n(C)c2n1)c1ccc(Br)s1 ZINC000005282628 557643418 /nfs/dbraw/zinc/64/34/18/557643418.db2.gz BZPWLHPAFIEWBF-DJKKODMXSA-N 0 0 401.293 4.177 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000005595680 557664082 /nfs/dbraw/zinc/66/40/82/557664082.db2.gz TXDXCQBIJMNNOL-IBGZPJMESA-N 0 0 413.857 4.122 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000005595986 557664325 /nfs/dbraw/zinc/66/43/25/557664325.db2.gz KJNJKKHVFWZCAZ-NRFANRHFSA-N 0 0 414.417 4.373 50 30 HIEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005864552 557677935 /nfs/dbraw/zinc/67/79/35/557677935.db2.gz ZMYPFBCXMULJNO-AWEZNQCLSA-N 0 0 401.919 4.346 50 30 HIEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006001982 557683919 /nfs/dbraw/zinc/68/39/19/557683919.db2.gz RIYJPVZUEFWSCR-INIZCTEOSA-N 0 0 411.527 4.091 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1)c1ccccc1 ZINC000006445949 557702802 /nfs/dbraw/zinc/70/28/02/557702802.db2.gz CHTPQLQHJNWQJS-HSZRJFAPSA-N 0 0 423.472 4.384 50 30 HIEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1OC ZINC000006819543 557725046 /nfs/dbraw/zinc/72/50/46/557725046.db2.gz MUVIQNKLKDPARV-GDBMZVCRSA-N 0 0 411.885 4.362 50 30 HIEARN Cn1ncc(/N=C/c2ccc(OCc3ccccc3)cc2)c1C(=O)NCc1ccco1 ZINC000002798263 557762107 /nfs/dbraw/zinc/76/21/07/557762107.db2.gz XNJVCHBLPAKZQA-AFUMVMLFSA-N 0 0 414.465 4.273 50 30 HIEARN CCNC(=S)N=NCc1cccc(OC)c1OCc1ccc(Br)cc1 ZINC000002888673 557768166 /nfs/dbraw/zinc/76/81/66/557768166.db2.gz QNJCDCTTZRKQRA-SRZZPIQSSA-N 0 0 422.348 4.266 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(N(C)C)cc2)c1=O ZINC000097474813 557809414 /nfs/dbraw/zinc/80/94/14/557809414.db2.gz KEEXONMGXLKWEZ-GHXNOFRVSA-N 0 0 401.304 4.203 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000009014998 557819418 /nfs/dbraw/zinc/81/94/18/557819418.db2.gz ARMYTVPRTHJAQN-FQEVSTJZSA-N 0 0 400.390 4.378 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009109963 557823970 /nfs/dbraw/zinc/82/39/70/557823970.db2.gz XPCONGHRZRRYIA-HXUWFJFHSA-N 0 0 400.390 4.378 50 30 HIEARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000004330553 558262269 /nfs/dbraw/zinc/26/22/69/558262269.db2.gz SXVWFWWMFAEIRI-UHFFFAOYSA-N 0 0 419.572 4.175 50 30 HIEARN CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(OC)cc1 ZINC000004331405 558263072 /nfs/dbraw/zinc/26/30/72/558263072.db2.gz LJUMPGDYNOXXEI-INIZCTEOSA-N 0 0 410.543 4.380 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019761281 558276686 /nfs/dbraw/zinc/27/66/86/558276686.db2.gz WYOQRQRCJHJLDE-WMZHIEFXSA-N 0 0 402.494 4.395 50 30 HIEARN COc1cc(/C=N/N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000019790538 558282476 /nfs/dbraw/zinc/28/24/76/558282476.db2.gz JOUYRPQDDQPXSH-ZXVVBBHZSA-N 0 0 415.537 4.426 50 30 HIEARN C[C@@H]1CCO[P@@](=O)([C@@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000019800740 558285558 /nfs/dbraw/zinc/28/55/58/558285558.db2.gz FQVNDEYXCYMBGZ-QRRAURDBSA-N 0 0 423.638 4.107 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1 ZINC000019907418 558305881 /nfs/dbraw/zinc/30/58/81/558305881.db2.gz GBLXGHIVLSYURK-MBSDFSHPSA-N 0 0 403.478 4.230 50 30 HIEARN C=CCn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1cc2ccccc2o1 ZINC000010675392 558344028 /nfs/dbraw/zinc/34/40/28/558344028.db2.gz XDOUBWUUIJYIHJ-UHFFFAOYSA-N 0 0 416.462 4.223 50 30 HIEARN NC(=O)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000012656535 558444716 /nfs/dbraw/zinc/44/47/16/558444716.db2.gz KVKUNMJJVVGQLJ-VGLIXDPASA-N 0 0 408.310 4.001 50 30 HIEARN CN(C)c1ccc(/C=N/N=C2\NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000012843816 558478614 /nfs/dbraw/zinc/47/86/14/558478614.db2.gz WJZBJGAIQHLMNQ-RSFOSLOZSA-N 0 0 421.353 4.224 50 30 HIEARN COc1ccc(N2C(=O)/C(=C/c3ccc(OCC#N)c(OC)c3)SC2=S)cc1 ZINC000004422581 558536850 /nfs/dbraw/zinc/53/68/50/558536850.db2.gz SLYCDAYFQLHVEM-PDGQHHTCSA-N 0 0 412.492 4.012 50 30 HIEARN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000032823459 558649156 /nfs/dbraw/zinc/64/91/56/558649156.db2.gz MNCJSBIFPCOREK-HXUWFJFHSA-N 0 0 407.420 4.247 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccc(C)cc2)C1=O ZINC000004547917 558665240 /nfs/dbraw/zinc/66/52/40/558665240.db2.gz BNFYZGKZDFTAQM-ATVHPVEESA-N 0 0 410.451 4.447 50 30 HIEARN N#Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1 ZINC000015009445 558699926 /nfs/dbraw/zinc/69/99/26/558699926.db2.gz AXTNICJCVJLEOK-UHFFFAOYSA-N 0 0 400.715 4.165 50 30 HIEARN O=C(/C=C1\C(=O)Nc2ccc(Br)cc21)c1ccc(Br)s1 ZINC000015016642 558702312 /nfs/dbraw/zinc/70/23/12/558702312.db2.gz XQZFLKDEPFZJRL-TWGQIWQCSA-N 0 0 413.090 4.492 50 30 HIEARN C#CCOc1ccc(CCNC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1 ZINC000072278480 558704834 /nfs/dbraw/zinc/70/48/34/558704834.db2.gz BHJXWMCQJFMJNG-UHFFFAOYSA-N 0 0 416.525 4.431 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000015836835 558756019 /nfs/dbraw/zinc/75/60/19/558756019.db2.gz ZRVDYOMUFRTRRN-NRFANRHFSA-N 0 0 421.428 4.341 50 30 HIEARN C=CCn1ccc2c(OCC(=O)Nc3cccc(C(F)(F)F)c3)cccc2c1=O ZINC000004584269 558778566 /nfs/dbraw/zinc/77/85/66/558778566.db2.gz FLCIMMMGAZVLHN-UHFFFAOYSA-N 0 0 402.372 4.224 50 30 HIEARN C=CCOC(=O)COc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 ZINC000004586263 558782904 /nfs/dbraw/zinc/78/29/04/558782904.db2.gz PBCMOQWZZGCEMS-UHFFFAOYSA-N 0 0 406.390 4.323 50 30 biogenic HIEARN Cc1cc(C)nc(N=C(Nc2ccc(C(C)C)cc2)NS(=O)(=O)c2ccccc2)n1 ZINC000018143340 558832138 /nfs/dbraw/zinc/83/21/38/558832138.db2.gz VVDMNWXQIHMZKP-UHFFFAOYSA-N 0 0 423.542 4.486 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000018207919 558833375 /nfs/dbraw/zinc/83/33/75/558833375.db2.gz MUPYKIHCSRDTRG-HXUWFJFHSA-N 0 0 406.388 4.138 50 30 HIEARN Cc1ccccc1CN1C(=O)/C(=N\NC(=S)Nc2ccccc2F)c2ccccc21 ZINC000013520687 558835912 /nfs/dbraw/zinc/83/59/12/558835912.db2.gz GYSSKCGZOPEPAF-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1cccs1)CN(c1ccc2c(c1)OCCO2)CO3 ZINC000013687938 558855121 /nfs/dbraw/zinc/85/51/21/558855121.db2.gz NTDCDFRBBZWTAR-NHDPSOOVSA-N 0 0 419.458 4.492 50 30 HIEARN CCOP(=O)(OCC)/C(C#N)=N\OC(=O)C(c1ccccc1)c1ccccc1 ZINC000013757295 558865472 /nfs/dbraw/zinc/86/54/72/558865472.db2.gz VCIHBDOMIFHHEJ-PYCFMQQDSA-N 0 0 400.371 4.465 50 30 HIEARN CC1(C)Cc2c(C#N)c(SCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1 ZINC000013773627 558866695 /nfs/dbraw/zinc/86/66/95/558866695.db2.gz BOAOUYRFIYKDHW-UHFFFAOYSA-N 0 0 413.518 4.073 50 30 HIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O)c1ccc2c(c1)OCO2 ZINC000013776763 558868386 /nfs/dbraw/zinc/86/83/86/558868386.db2.gz QKURRBMJRVKKDZ-NKVSQWTQSA-N 0 0 404.349 4.390 50 30 HIEARN CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 ZINC000013827839 558885399 /nfs/dbraw/zinc/88/53/99/558885399.db2.gz WFDXOXNFNRHQEC-GHRIWEEISA-N 0 0 403.394 4.093 50 30 in-vivo HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)c(Cl)c1)C1CCN2CC1 ZINC000004707109 558906835 /nfs/dbraw/zinc/90/68/35/558906835.db2.gz MXRQFEJLAFSTLG-UHFFFAOYSA-N 0 0 402.882 4.174 50 30 HIEARN CC(=O)Oc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019535429 558913430 /nfs/dbraw/zinc/91/34/30/558913430.db2.gz XTACSKBIFINGHA-QFIPXVFZSA-N 0 0 409.482 4.066 50 30 HIEARN CCCCCCCC1CCC(C(=O)N[C@H](C(=O)NCC(=O)OCC)[C@@H](C)CC)CC1 ZINC000097995702 559011475 /nfs/dbraw/zinc/01/14/75/559011475.db2.gz JCJDRNGOGNQUKC-OBMFMMATSA-N 0 0 424.626 4.364 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(F)cc1 ZINC000004736243 559035424 /nfs/dbraw/zinc/03/54/24/559035424.db2.gz CZALCXPXIYXRMF-ZDUSSCGKSA-N 0 0 417.535 4.463 50 30 HIEARN CCCCC(F)(F)C(=O)/C=C/[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@H]12 ZINC000082048910 559036052 /nfs/dbraw/zinc/03/60/52/559036052.db2.gz BEVKTMCEJWZGBD-SMPHTAIGSA-N 0 0 406.425 4.114 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(Cl)c1OC ZINC000011334762 559056349 /nfs/dbraw/zinc/05/63/49/559056349.db2.gz OHNOKPGXNRUUIU-BQYQJAHWSA-N 0 0 401.890 4.480 50 30 HIEARN COc1ccc(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)cc1 ZINC000004813636 559073870 /nfs/dbraw/zinc/07/38/70/559073870.db2.gz NOARRSQOTIPTBX-SSDVNMTOSA-N 0 0 407.451 4.380 50 30 HIEARN O=C([O-])C(O)=CC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000100970611 559142377 /nfs/dbraw/zinc/14/23/77/559142377.db2.gz DGJZJCIAWLMRBY-ZHZULCJRSA-N 0 0 413.901 4.261 50 30 in-vitro HIEARN CCOC(=O)C=C(C)Nc1ncn(-c2ccc(OC)cc2)c1C(=O)c1ccccc1 ZINC000100218344 559178734 /nfs/dbraw/zinc/17/87/34/559178734.db2.gz VNPMNJOJSDMZEX-PCLIKHOPSA-N 0 0 405.454 4.158 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000100331837 559195440 /nfs/dbraw/zinc/19/54/40/559195440.db2.gz OVYZTXLUOHRVAB-MOBKVPTQSA-N 0 0 415.445 4.330 50 30 HIEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000100344535 559195817 /nfs/dbraw/zinc/19/58/17/559195817.db2.gz VDAQHGQZVJLSQK-JBCNATCCSA-N 0 0 403.409 4.461 50 30 HIEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)O[C@H](C)COC ZINC000004889420 559197801 /nfs/dbraw/zinc/19/78/01/559197801.db2.gz GWABGCGQESQLSW-MSOLQXFVSA-N 0 0 412.534 4.222 50 30 HIEARN C[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000004898859 559199036 /nfs/dbraw/zinc/19/90/36/559199036.db2.gz YJRGBBKBPXHOLB-BDVIWPHNSA-N 0 0 402.317 4.303 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000004918177 559204497 /nfs/dbraw/zinc/20/44/97/559204497.db2.gz DADISLKVQLGBRZ-CVDCTZTESA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000004918372 559204635 /nfs/dbraw/zinc/20/46/35/559204635.db2.gz YTUWARYTUCJIKC-KNQAVFIVSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000004919744 559204684 /nfs/dbraw/zinc/20/46/84/559204684.db2.gz UDDBGFGIXKNNJO-AUSIDOKSSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(OC)cc1 ZINC000004919734 559204716 /nfs/dbraw/zinc/20/47/16/559204716.db2.gz UDDBGFGIXKNNJO-CVDCTZTESA-N 0 0 410.466 4.032 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1c(OC)cccc1OC ZINC000004943739 559214438 /nfs/dbraw/zinc/21/44/38/559214438.db2.gz HAOPGYOBWIUPDD-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000004957057 559216846 /nfs/dbraw/zinc/21/68/46/559216846.db2.gz JQMMNYZAOBYFHP-GKYNBQQKSA-N 0 0 415.490 4.087 50 30 HIEARN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N\O)[C@@H](Sc1ccccc1)CC2 ZINC000100563389 559227753 /nfs/dbraw/zinc/22/77/53/559227753.db2.gz IOEXOESFPUIGLA-FJGOLAJPSA-N 0 0 404.513 4.169 50 30 HIEARN COCc1cc(C)nc(N=NCc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1C#N ZINC000005128087 559248966 /nfs/dbraw/zinc/24/89/66/559248966.db2.gz DYCDREVWJAOUKT-FOKLQQMPSA-N 0 0 405.414 4.331 50 30 HIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O)c1ccc2c(c1)OCO2 ZINC000005151162 559253827 /nfs/dbraw/zinc/25/38/27/559253827.db2.gz VECPAUIDOKCAGS-NKVSQWTQSA-N 0 0 404.349 4.390 50 30 HIEARN N#Cc1c(N)n(-c2ccc(NC(=O)c3ccccc3)cc2)c2nc3ccccc3nc12 ZINC000005155935 559258379 /nfs/dbraw/zinc/25/83/79/559258379.db2.gz KKPRSPYBEWMQML-UHFFFAOYSA-N 0 0 404.433 4.280 50 30 HIEARN CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 ZINC000011859791 559263418 /nfs/dbraw/zinc/26/34/18/559263418.db2.gz YAVDAUZIYHNFJC-SOBIRXOSSA-N 0 0 406.916 4.021 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000019760623 559286644 /nfs/dbraw/zinc/28/66/44/559286644.db2.gz XQSTWVIBYHXLDF-UZLBHIALSA-N 0 0 401.890 4.030 50 30 HIEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000005179192 559289259 /nfs/dbraw/zinc/28/92/59/559289259.db2.gz KMGBEPGWCGJEPM-PKSBALPTSA-N 0 0 403.228 4.006 50 30 HIEARN CO/N=C/NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000005209455 560538824 /nfs/dbraw/zinc/53/88/24/560538824.db2.gz LIQFDYXDGORKSA-OAQYLSRUSA-N 0 0 406.869 4.409 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccco1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000005351795 560569079 /nfs/dbraw/zinc/56/90/79/560569079.db2.gz SQJMFSHCCFMTPQ-GOSISDBHSA-N 0 0 402.385 4.055 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c3nc(Cc4ccccc4)nn3cnc1O2 ZINC000005345870 560570185 /nfs/dbraw/zinc/57/01/85/560570185.db2.gz SLEWNRMQFKCZPP-NRFANRHFSA-N 0 0 408.461 4.247 50 30 HIEARN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000005458259 560591657 /nfs/dbraw/zinc/59/16/57/560591657.db2.gz AGRNIVVLHVMIHH-JOCHJYFZSA-N 0 0 412.445 4.428 50 30 HIEARN Cc1ccc(C[C@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1C ZINC000005546261 560607634 /nfs/dbraw/zinc/60/76/34/560607634.db2.gz RUFUEPSZSOOFLB-DAMKXSJNSA-N 0 0 418.522 4.368 50 30 HIEARN C=CCc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)NC2=O)cc(OCC)c1O ZINC000005511365 560626862 /nfs/dbraw/zinc/62/68/62/560626862.db2.gz BOWHMLZCZGZPBR-CPNJWEJPSA-N 0 0 410.495 4.420 50 30 HIEARN C#CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1c(F)cccc1F ZINC000100875327 560761656 /nfs/dbraw/zinc/76/16/56/560761656.db2.gz FNQPTXBEBYNDAL-FXBPSFAMSA-N 0 0 407.239 4.118 50 30 HIEARN C=CCN(C(=O)CN1C(=O)CSc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000018120838 560777704 /nfs/dbraw/zinc/77/77/04/560777704.db2.gz DGPZDEXNDZRQMV-UHFFFAOYSA-N 0 0 421.547 4.468 50 30 HIEARN C[C@@H]1c2c([nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018197835 560783407 /nfs/dbraw/zinc/78/34/07/560783407.db2.gz BNVQDUVKZOFSMG-RYUDHWBXSA-N 0 0 422.466 4.065 50 30 HIEARN Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccn4)nn32)cc1 ZINC000018198674 560783633 /nfs/dbraw/zinc/78/36/33/560783633.db2.gz WFFHYJFDFRMNHO-HXUWFJFHSA-N 0 0 403.511 4.296 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000101287974 560790750 /nfs/dbraw/zinc/79/07/50/560790750.db2.gz UGGBQAUWDUCAJN-HOGKFDNTSA-N 0 0 412.445 4.273 50 30 HIEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000102369064 560809880 /nfs/dbraw/zinc/80/98/80/560809880.db2.gz OABYCPRRADKUEJ-HOGKFDNTSA-N 0 0 414.461 4.495 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c1 ZINC000102502486 560812708 /nfs/dbraw/zinc/81/27/08/560812708.db2.gz ACKNUDARGCLQMG-MOBKVPTQSA-N 0 0 414.461 4.021 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102512825 560815321 /nfs/dbraw/zinc/81/53/21/560815321.db2.gz PROBYIFWEDZMDT-MOBKVPTQSA-N 0 0 417.461 4.473 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000102713633 560823139 /nfs/dbraw/zinc/82/31/39/560823139.db2.gz RKCJGWAHAUYWTL-MRJHHRETSA-N 0 0 418.449 4.398 50 30 HIEARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@H]3C2=O)c(C)c1 ZINC000102768207 560825131 /nfs/dbraw/zinc/82/51/31/560825131.db2.gz HPYXJYJECHFNPV-TZRRMPRUSA-N 0 0 423.472 4.226 50 30 HIEARN CCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000102771960 560825230 /nfs/dbraw/zinc/82/52/30/560825230.db2.gz FIWGQIHPJQUPKB-UHFFFAOYSA-N 0 0 412.530 4.334 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102803988 560826763 /nfs/dbraw/zinc/82/67/63/560826763.db2.gz JPRMYPJEXJHNAY-NHFXJNLRSA-N 0 0 420.490 4.164 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000102797571 560827954 /nfs/dbraw/zinc/82/79/54/560827954.db2.gz NFVPJDRSKUCWOY-LFVOPCPISA-N 0 0 408.841 4.258 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102875516 560830520 /nfs/dbraw/zinc/83/05/20/560830520.db2.gz MDZRXUWIQNBOSD-NHFXJNLRSA-N 0 0 418.405 4.118 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000102861950 560832050 /nfs/dbraw/zinc/83/20/50/560832050.db2.gz LMXMEZMBNVWMQZ-DLBSFMOSSA-N 0 0 403.887 4.002 50 30 HIEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102869122 560832732 /nfs/dbraw/zinc/83/27/32/560832732.db2.gz RLSQGEHVIBRCTE-GHNGSUTGSA-N 0 0 405.479 4.090 50 30 HIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)no1 ZINC000102887097 560834173 /nfs/dbraw/zinc/83/41/73/560834173.db2.gz YQOHRHANIVTCSZ-YDJIHCHBSA-N 0 0 400.390 4.356 50 30 HIEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000104146405 560848942 /nfs/dbraw/zinc/84/89/42/560848942.db2.gz WFYCZGRAEONMMF-JBCNATCCSA-N 0 0 403.409 4.461 50 30 HIEARN C#CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@H]1CCc2ccccc21 ZINC000047406021 560886754 /nfs/dbraw/zinc/88/67/54/560886754.db2.gz BCCUUJDGMQHFCN-IBGZPJMESA-N 0 0 406.486 4.052 50 30 HIEARN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(F)cc1 ZINC000044859092 560897527 /nfs/dbraw/zinc/89/75/27/560897527.db2.gz DRQAYNYIQDSWOD-OAQYLSRUSA-N 0 0 402.429 4.297 50 30 HIEARN Cc1ccccc1NC1=NC(=S)N(CC(=O)c2ccccc2)[C@]12CCOC(C)(C)C2 ZINC000005752916 568418463 /nfs/dbraw/zinc/41/84/63/568418463.db2.gz AFBNTDPCVULNTA-DEOSSOPVSA-N 0 0 421.566 4.426 50 30 HIEARN Cc1ccccc1C(=O)N/C(=N/c1ccc(Br)cc1)NCc1ccncc1 ZINC000045940158 568421662 /nfs/dbraw/zinc/42/16/62/568421662.db2.gz LBPOGKUAKNRIOX-UHFFFAOYSA-N 0 0 423.314 4.360 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1ccccn1 ZINC000046125248 568428420 /nfs/dbraw/zinc/42/84/20/568428420.db2.gz WDORFAYDTJWKRD-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1ccc(OC)c(OC)c1)NCc1ccccn1 ZINC000046126099 568428587 /nfs/dbraw/zinc/42/85/87/568428587.db2.gz ILAFRXNJBZDXGL-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(CC)c2)cc1 ZINC000046125979 568428616 /nfs/dbraw/zinc/42/86/16/568428616.db2.gz MATAVCHKJWXMGD-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(C)cc1)NCc1cccnc1 ZINC000046127434 568428797 /nfs/dbraw/zinc/42/87/97/568428797.db2.gz BYCCHYFUWODERF-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(Cl)ccc2C)c1 ZINC000046129194 568429103 /nfs/dbraw/zinc/42/91/03/568429103.db2.gz JEWBVGREYDYTJH-SFHVURJKSA-N 0 0 401.894 4.034 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1cccc(C)c1)NC[C@@H]1CCCO1 ZINC000046129807 568429219 /nfs/dbraw/zinc/42/92/19/568429219.db2.gz HBSCHFKOXPCPKK-KRWDZBQOSA-N 0 0 401.894 4.034 50 30 HIEARN CC(C)(C)c1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc3c(c2)OCO3)cc1 ZINC000046133016 568430323 /nfs/dbraw/zinc/43/03/23/568430323.db2.gz LPQPCJQRPHEWMS-LJQANCHMSA-N 0 0 423.513 4.090 50 30 HIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c1C#N ZINC000012255943 568456433 /nfs/dbraw/zinc/45/64/33/568456433.db2.gz CKJHAIDBFVSHBB-GOSISDBHSA-N 0 0 412.317 4.157 50 30 HIEARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c(OC)c1 ZINC000012322908 568471118 /nfs/dbraw/zinc/47/11/18/568471118.db2.gz MIPUWJARNBMVMA-WYRIXSBYSA-N 0 0 424.482 4.128 50 30 HIEARN COc1cc(C=CC(=O)OCC(=O)c2cccc3ccccc32)ccc1OCC#N ZINC000007787367 568484894 /nfs/dbraw/zinc/48/48/94/568484894.db2.gz IDJVXIDURSUPNL-ZRDIBKRKSA-N 0 0 401.418 4.190 50 30 HIEARN COc1cc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000012347078 568494762 /nfs/dbraw/zinc/49/47/62/568494762.db2.gz GKNZVXCORQLCSD-HXUWFJFHSA-N 0 0 417.465 4.267 50 30 HIEARN C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(Br)cc1 ZINC000002853648 568509173 /nfs/dbraw/zinc/50/91/73/568509173.db2.gz QFDDFSQHDMWUPN-UHFFFAOYSA-N 0 0 421.364 4.045 50 30 HIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccs2)c1 ZINC000094979096 568593315 /nfs/dbraw/zinc/59/33/15/568593315.db2.gz OZVBBNVODJSDTI-FQEVSTJZSA-N 0 0 421.522 4.230 50 30 HIEARN Cc1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(F)cc3)c2C#N)cc1 ZINC000020348532 568599551 /nfs/dbraw/zinc/59/95/51/568599551.db2.gz YBUALRFLNBIYPO-UHFFFAOYSA-N 0 0 417.469 4.252 50 30 HIEARN C=CCNC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000003001271 568602399 /nfs/dbraw/zinc/60/23/99/568602399.db2.gz IWYKNBFWGGCVQC-UHFFFAOYSA-N 0 0 419.890 4.357 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000841927 568616189 /nfs/dbraw/zinc/61/61/89/568616189.db2.gz PVJHULUZPDMYNO-HNNXBMFYSA-N 0 0 409.404 4.196 50 30 HIEARN N#Cc1cnn2c1N(C(=O)CCc1ccc(F)cc1)[C@@H](C1CC1)C[C@H]2C(F)(F)F ZINC000020607954 568635859 /nfs/dbraw/zinc/63/58/59/568635859.db2.gz DMUQJKGFZQOSHR-SJORKVTESA-N 0 0 406.383 4.145 50 30 HIEARN N#CCCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000095953406 568668238 /nfs/dbraw/zinc/66/82/38/568668238.db2.gz BWVOIEGNJGALKX-GOSISDBHSA-N 0 0 405.523 4.173 50 30 HIEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000021358740 568689793 /nfs/dbraw/zinc/68/97/93/568689793.db2.gz NUQVYRWLPDUIBR-UHFFFAOYSA-N 0 0 402.435 4.076 50 30 HIEARN Cc1ccccc1C(=O)N1CCN(c2oc(-c3cccc(Cl)c3)nc2C#N)CC1 ZINC000012418375 568718778 /nfs/dbraw/zinc/71/87/78/568718778.db2.gz BECZPYYTOZAYGA-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccc(C)cc4)CC3)o2)cc1 ZINC000012418571 568719061 /nfs/dbraw/zinc/71/90/61/568719061.db2.gz VPOJOOWQZGICRG-FMIVXFBMSA-N 0 0 412.493 4.296 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1C ZINC000001010095 568762770 /nfs/dbraw/zinc/76/27/70/568762770.db2.gz QVCGRBDMSATYLE-UTKZUKDTSA-N 0 0 403.478 4.243 50 30 HIEARN N#Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(Cl)cc4)c2=O)CCCC3=O)cc1 ZINC000001111912 568770586 /nfs/dbraw/zinc/77/05/86/568770586.db2.gz QQNVIUWWVNZJFH-UHFFFAOYSA-N 0 0 417.852 4.134 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000002495351 568776335 /nfs/dbraw/zinc/77/63/35/568776335.db2.gz AOYQZVRZKFNQRS-KXBFYZLASA-N 0 0 409.869 4.198 50 30 HIEARN O=C1c2ccccc2C(=O)C1=CNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000002561926 568783989 /nfs/dbraw/zinc/78/39/89/568783989.db2.gz LFOSYRLNHGXYHX-UHFFFAOYSA-N 0 0 415.289 4.374 50 30 HIEARN N#CCCN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 ZINC000002627862 568789791 /nfs/dbraw/zinc/78/97/91/568789791.db2.gz ZRJKMRNZKYVRDQ-UHFFFAOYSA-N 0 0 403.511 4.184 50 30 HIEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1ncnc2sc(CC)cc21 ZINC000002630204 568790463 /nfs/dbraw/zinc/79/04/63/568790463.db2.gz LVOOJNBOLWVTSP-UHFFFAOYSA-N 0 0 404.542 4.238 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002640919 568793665 /nfs/dbraw/zinc/79/36/65/568793665.db2.gz LQUCZXVEIOODCD-FQEVSTJZSA-N 0 0 411.556 4.142 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C#N)c1C ZINC000002741277 568805814 /nfs/dbraw/zinc/80/58/14/568805814.db2.gz IZMKEISXKGWVAQ-UHFFFAOYSA-N 0 0 420.878 4.224 50 30 HIEARN COc1cc(/C=N/n2c(SC)nnc2C(F)F)ccc1OCc1ccccc1 ZINC000002791071 568809943 /nfs/dbraw/zinc/80/99/43/568809943.db2.gz FWEOFMLBZIJLIU-SSDVNMTOSA-N 0 0 404.442 4.407 50 30 HIEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccco1 ZINC000002838116 568812637 /nfs/dbraw/zinc/81/26/37/568812637.db2.gz RKMFWQAKDSSYHE-UHFFFAOYSA-N 0 0 413.528 4.101 50 30 HIEARN Cc1c(NC=CC(=O)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000002897329 568815009 /nfs/dbraw/zinc/81/50/09/568815009.db2.gz OJNBDNRTDGAPLO-OUKQBFOZSA-N 0 0 412.287 4.055 50 30 HIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005868844 568827226 /nfs/dbraw/zinc/82/72/26/568827226.db2.gz MDDAMTRHTRHBGS-SFHVURJKSA-N 0 0 424.570 4.293 50 30 HIEARN CN=C(Nc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006014711 568835290 /nfs/dbraw/zinc/83/52/90/568835290.db2.gz PIGAIGVVNVDOOT-HNNXBMFYSA-N 0 0 408.310 4.266 50 30 HIEARN CC(=O)c1cc(C#N)c(SCC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)nc1C ZINC000029897925 568846468 /nfs/dbraw/zinc/84/64/68/568846468.db2.gz VTTWSVJBFRGBIZ-MRXNPFEDSA-N 0 0 407.539 4.384 50 30 HIEARN O=S(=O)(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)OCCCO2 ZINC000012560644 568858364 /nfs/dbraw/zinc/85/83/64/568858364.db2.gz YJIRHVVIZYDPNK-UHFFFAOYSA-N 0 0 411.504 4.110 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc2sc(CC)cc2c1=O ZINC000003450595 568860019 /nfs/dbraw/zinc/86/00/19/568860019.db2.gz RWQOKWNSQIOGEY-AWEZNQCLSA-N 0 0 413.568 4.350 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000012581781 568864380 /nfs/dbraw/zinc/86/43/80/568864380.db2.gz QDNFJMWBIOQMLM-HXUWFJFHSA-N 0 0 406.438 4.232 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1ccc2c(c1)OCCO2)[C@@H](c1ccco1)CC(=O)O3 ZINC000263585647 568878614 /nfs/dbraw/zinc/87/86/14/568878614.db2.gz LBCGITJENXLQBG-UWOKGBPVSA-N 0 0 416.385 4.108 50 30 HIEARN N#Cc1ccccc1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 ZINC000049006710 568916915 /nfs/dbraw/zinc/91/69/15/568916915.db2.gz HBRWXGULIBVIFT-UHFFFAOYSA-N 0 0 409.902 4.345 50 30 HIEARN COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003586219 568917777 /nfs/dbraw/zinc/91/77/77/568917777.db2.gz RKXYPPLDTWOVJW-UHFFFAOYSA-N 0 0 422.710 4.053 50 30 HIEARN C=CCc1cc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc(OC)c1OC ZINC000012742266 568929953 /nfs/dbraw/zinc/92/99/53/568929953.db2.gz CFKUFKBKOVACJN-UHFFFAOYSA-N 0 0 423.509 4.176 50 30 HIEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccc2c(c1)OCO2)NCc1cccnc1 ZINC000046127470 568930807 /nfs/dbraw/zinc/93/08/07/568930807.db2.gz FNEUYIKTPLODPM-UHFFFAOYSA-N 0 0 422.872 4.170 50 30 HIEARN CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004004512 568933003 /nfs/dbraw/zinc/93/30/03/568933003.db2.gz OUUSWJFCCBCRBM-NJDAHSKKSA-N 0 0 418.294 4.439 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004004711 568933025 /nfs/dbraw/zinc/93/30/25/568933025.db2.gz GGIPIZZLMZDVBP-SGNDLWITSA-N 0 0 422.481 4.302 50 30 HIEARN C#C[C@@](C)(CC)NC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000001423078 568938469 /nfs/dbraw/zinc/93/84/69/568938469.db2.gz HZXGFFPXMXJYPE-FQEVSTJZSA-N 0 0 400.404 4.255 50 30 HIEARN CCOc1cc([C@H]2C3C(=O)CCCC3=Nc3nc(-c4ccccc4)nn32)ccc1O ZINC000004106345 568943233 /nfs/dbraw/zinc/94/32/33/568943233.db2.gz CNJRSLQAOVWEBM-NRFANRHFSA-N 0 0 402.454 4.071 50 30 HIEARN CCOc1cc(Cl)cc(/C=N/c2ccc(N3CCN(C(=O)CC)CC3)cc2)c1O ZINC000004121386 568944956 /nfs/dbraw/zinc/94/49/56/568944956.db2.gz DWJGTQNOXVWOKB-BUVRLJJBSA-N 0 0 415.921 4.254 50 30 HIEARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000012785930 568960000 /nfs/dbraw/zinc/96/00/00/568960000.db2.gz SWMNQTVRVVSVCI-UHFFFAOYSA-N 0 0 411.427 4.349 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1-c1ccc(C)cc1 ZINC000004817071 568964332 /nfs/dbraw/zinc/96/43/32/568964332.db2.gz ZCHKUBVVYKYVRF-UHFFFAOYSA-N 0 0 421.526 4.129 50 30 HIEARN C=CCNc1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)cs1 ZINC000007990059 568966720 /nfs/dbraw/zinc/96/67/20/568966720.db2.gz QFGUVGVUGMLACC-UHFFFAOYSA-N 0 0 415.540 4.309 50 30 HIEARN C=CCn1c(SCC(=O)c2c(C)n(C)c3ccccc32)nnc1-c1ccncc1 ZINC000007462844 568969127 /nfs/dbraw/zinc/96/91/27/568969127.db2.gz XQRKLODTHWLJBA-UHFFFAOYSA-N 0 0 403.511 4.301 50 30 HIEARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CSc2nc3cc(C)ccc3[nH]2)c1C#N ZINC000008185489 568980338 /nfs/dbraw/zinc/98/03/38/568980338.db2.gz SOHIDDSKQXVCQG-MRXNPFEDSA-N 0 0 423.542 4.071 50 30 HIEARN C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1cccnc1 ZINC000010558902 568989763 /nfs/dbraw/zinc/98/97/63/568989763.db2.gz GYESADHDWJXOQI-UHFFFAOYSA-N 0 0 403.511 4.476 50 30 HIEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccncc1 ZINC000006080255 568994039 /nfs/dbraw/zinc/99/40/39/568994039.db2.gz DCWIFGZOTZHSQS-OAQYLSRUSA-N 0 0 411.417 4.001 50 30 HIEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@H]1CCOC1=O ZINC000006079133 568994151 /nfs/dbraw/zinc/99/41/51/568994151.db2.gz RQODTOQPYWCBNJ-IBGZPJMESA-N 0 0 407.495 4.118 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@H]1c1sccc1C ZINC000008346018 568994663 /nfs/dbraw/zinc/99/46/63/568994663.db2.gz FNHPSMXSJPMJDN-AWEZNQCLSA-N 0 0 417.556 4.203 50 30 HIEARN C=CCN(C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1)c1nc2c(s1)CCCC2 ZINC000012797854 568996190 /nfs/dbraw/zinc/99/61/90/568996190.db2.gz UNSRHWCZESTXTO-KRWDZBQOSA-N 0 0 409.555 4.211 50 30 HIEARN C[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000006084053 568996941 /nfs/dbraw/zinc/99/69/41/568996941.db2.gz NXEOJVSEBJVAAR-RYUDHWBXSA-N 0 0 407.253 4.203 50 30 HIEARN C=CCN1C(=O)[C@@](O)(CC(=O)c2cccc(Br)c2)c2cc(Cl)ccc21 ZINC000013557482 569000306 /nfs/dbraw/zinc/00/03/06/569000306.db2.gz OHXLTROFLKHRQF-LJQANCHMSA-N 0 0 420.690 4.096 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000015940614 569005145 /nfs/dbraw/zinc/00/51/45/569005145.db2.gz AXIMWYFDEMIPHO-OALUTQOASA-N 0 0 412.555 4.186 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 ZINC000016726029 569005428 /nfs/dbraw/zinc/00/54/28/569005428.db2.gz WMXKHPTZKWEUTO-GFCCVEGCSA-N 0 0 417.897 4.438 50 30 HIEARN C=CCN1C(=O)[C@](O)(CC(=O)c2ccccc2Cl)c2cc(Br)ccc21 ZINC000001066139 569006217 /nfs/dbraw/zinc/00/62/17/569006217.db2.gz MBEBYZBHYIJYKO-IBGZPJMESA-N 0 0 420.690 4.096 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccco1 ZINC000002246188 569007128 /nfs/dbraw/zinc/00/71/28/569007128.db2.gz TXCDNOWJTLKIDG-UHFFFAOYSA-N 0 0 404.289 4.462 50 30 HIEARN COc1cccc(C(=O)Nc2nnc(/N=C/c3ccc(Br)s3)s2)c1 ZINC000001509867 569007542 /nfs/dbraw/zinc/00/75/42/569007542.db2.gz JHOZFAIBYDYLOW-CAOOACKPSA-N 0 0 423.317 4.374 50 30 HIEARN C=CCN(C(=O)CCN1C(=O)COc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000012944934 569028951 /nfs/dbraw/zinc/02/89/51/569028951.db2.gz GIDRSGGRWPKOST-UHFFFAOYSA-N 0 0 419.506 4.145 50 30 HIEARN N#Cc1ccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)nc1 ZINC000090607634 569042174 /nfs/dbraw/zinc/04/21/74/569042174.db2.gz DOADZQQDZWPMOV-UHFFFAOYSA-N 0 0 411.461 4.261 50 30 HIEARN COc1ccc(-n2c(N)c(-c3nc4ccccc4s3)c3nc(C#N)c(C#N)nc32)cc1 ZINC000001744404 569051278 /nfs/dbraw/zinc/05/12/78/569051278.db2.gz RTNWTFNKAPICKC-UHFFFAOYSA-N 0 0 423.461 4.031 50 30 HIEARN O=C1c2ccc(Br)cc2N/C1=C1/Nc2cc(Br)ccc2C1=O ZINC000100031287 569052063 /nfs/dbraw/zinc/05/20/63/569052063.db2.gz ZVAPIIDBWWULJN-BUHFOSPRSA-N 0 0 420.060 4.340 50 30 in-vitro HIEARN COc1ccc(C)cc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc32)CC1 ZINC000064473743 569063891 /nfs/dbraw/zinc/06/38/91/569063891.db2.gz BGRXJPKXGTZMMS-UHFFFAOYSA-N 0 0 418.472 4.418 50 30 HIEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SC[C@H]1COc2ccccc2O1 ZINC000006602808 569070226 /nfs/dbraw/zinc/07/02/26/569070226.db2.gz ZOLHCXQDEKGIRL-CQSZACIVSA-N 0 0 412.536 4.454 50 30 HIEARN CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@@](C)(C#N)C4)csc3C2)nc1 ZINC000426477737 569073178 /nfs/dbraw/zinc/07/31/78/569073178.db2.gz MONWSTWQRZVERR-QHCPKHFHSA-N 0 0 408.571 4.030 50 30 HIEARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000006619216 569074840 /nfs/dbraw/zinc/07/48/40/569074840.db2.gz PARWFLYKVZIULL-UHFFFAOYSA-N 0 0 407.857 4.426 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000006691007 569091406 /nfs/dbraw/zinc/09/14/06/569091406.db2.gz LTCVLKYFDVHJDL-JOCHJYFZSA-N 0 0 415.445 4.487 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006720087 569097998 /nfs/dbraw/zinc/09/79/98/569097998.db2.gz KAMILXCMBMDGQG-IRLDBZIGSA-N 0 0 421.493 4.015 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006720772 569098915 /nfs/dbraw/zinc/09/89/15/569098915.db2.gz ISSKFLZNMFPEJC-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCC(C)C)nn32)cc1OC ZINC000006728716 569102114 /nfs/dbraw/zinc/10/21/14/569102114.db2.gz MMUJYMBZASZSMP-IBGZPJMESA-N 0 0 414.531 4.065 50 30 HIEARN CC(C)CC(=O)N1CCS[C@@]12c1cc(F)ccc1N(Cc1cccc(C#N)c1)C2=O ZINC000036167330 569103050 /nfs/dbraw/zinc/10/30/50/569103050.db2.gz ZLIMVBUNYFEBNT-HSZRJFAPSA-N 0 0 423.513 4.018 50 30 HIEARN N#CCc1ccc(NC(=O)CCc2nc3cccnc3n2Cc2cccs2)cc1 ZINC000006737787 569106303 /nfs/dbraw/zinc/10/63/03/569106303.db2.gz YJYAMNSFHOAPPM-UHFFFAOYSA-N 0 0 401.495 4.178 50 30 HIEARN N#Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 ZINC000006760753 569114157 /nfs/dbraw/zinc/11/41/57/569114157.db2.gz BCMKDWHKBXMDHP-HOCLYGCPSA-N 0 0 401.348 4.260 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000006813181 569136704 /nfs/dbraw/zinc/13/67/04/569136704.db2.gz GZPRBWDBISTOCD-OAQYLSRUSA-N 0 0 400.434 4.182 50 30 HIEARN COc1cccc2c(Nc3cccc(C#N)c3)cc(C(=O)N3CCSCC3)nc12 ZINC000065034457 569158211 /nfs/dbraw/zinc/15/82/11/569158211.db2.gz UXRKHNBSYYGZDC-UHFFFAOYSA-N 0 0 404.495 4.048 50 30 HIEARN CCn1c(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccccc1C ZINC000007044734 569211223 /nfs/dbraw/zinc/21/12/23/569211223.db2.gz JMXFGHWBCOSIPB-QGZVFWFLSA-N 0 0 411.575 4.439 50 30 HIEARN C[C@@H](OC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)NC1(C#N)CCCCC1 ZINC000007106954 569220574 /nfs/dbraw/zinc/22/05/74/569220574.db2.gz LXMKTMFDSPCHPF-CYBMUJFWSA-N 0 0 417.918 4.351 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000007129905 569224620 /nfs/dbraw/zinc/22/46/20/569224620.db2.gz OAXWGDNYDNGVFC-HXPMCKFVSA-N 0 0 404.561 4.069 50 30 HIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000002896423 569227536 /nfs/dbraw/zinc/22/75/36/569227536.db2.gz SVPHDYMYUJTPMO-JOCHJYFZSA-N 0 0 413.514 4.405 50 30 HIEARN CCNc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000007249310 569230377 /nfs/dbraw/zinc/23/03/77/569230377.db2.gz IHJFWIYMLASKQE-JTQLQIEISA-N 0 0 407.590 4.291 50 30 HIEARN N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCCC2 ZINC000010218932 569253735 /nfs/dbraw/zinc/25/37/35/569253735.db2.gz PFVLAWBHCQRIPB-UHFFFAOYSA-N 0 0 420.531 4.220 50 30 HIEARN CC(C)(C)c1cc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc(C(C)(C)C)c1O ZINC000004550781 569255465 /nfs/dbraw/zinc/25/54/65/569255465.db2.gz RTNLRJTXEOIEQC-YDZHTSKRSA-N 0 0 413.543 4.060 50 30 HIEARN N#CN=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O ZINC000013573290 569255996 /nfs/dbraw/zinc/25/59/96/569255996.db2.gz UJGVESCAOFCVEI-AWEZNQCLSA-N 0 0 419.293 4.117 50 30 HIEARN CCOC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(F)cc2)cc1 ZINC000003410543 569278590 /nfs/dbraw/zinc/27/85/90/569278590.db2.gz YTNBBLSEZWZZQF-UHFFFAOYSA-N 0 0 406.417 4.032 50 30 HIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(CC)cc2)cc1 ZINC000006308884 569279771 /nfs/dbraw/zinc/27/97/71/569279771.db2.gz ZSPMXVCKQDKIBT-QFIPXVFZSA-N 0 0 421.493 4.039 50 30 HIEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c(OC)c1OC ZINC000002104237 569281973 /nfs/dbraw/zinc/28/19/73/569281973.db2.gz IFUSTXZFCDIBIV-ODLFYWEKSA-N 0 0 422.389 4.141 50 30 biogenic HIEARN C=C(C)Cn1c(SCC(=O)OCCCCC)nc2sc3c(c2c1=O)CCC3 ZINC000002183140 569293545 /nfs/dbraw/zinc/29/35/45/569293545.db2.gz LRFZGXXNPJXPKX-UHFFFAOYSA-N 0 0 406.573 4.348 50 30 HIEARN CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC)c(OC)c1)C(=NO)CC(C)(C)C2 ZINC000252599756 569296790 /nfs/dbraw/zinc/29/67/90/569296790.db2.gz DLGBLJQZTMZIEI-UHFFFAOYSA-N 0 0 412.486 4.402 50 30 HIEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(C)c(Cl)c3)S2)cc1 ZINC000252601888 569297028 /nfs/dbraw/zinc/29/70/28/569297028.db2.gz FDHVPWGXQWGQEY-KRWDZBQOSA-N 0 0 417.918 4.247 50 30 HIEARN Oc1ccc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000252603254 569297153 /nfs/dbraw/zinc/29/71/53/569297153.db2.gz FPKOSPVYMHLRBZ-UHFFFAOYSA-N 0 0 423.908 4.411 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1C ZINC000252606677 569297457 /nfs/dbraw/zinc/29/74/57/569297457.db2.gz GUIYNSUCQRIVOU-SFHVURJKSA-N 0 0 424.482 4.050 50 30 HIEARN Cc1[nH]c2ccccc2c1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000252615292 569301277 /nfs/dbraw/zinc/30/12/77/569301277.db2.gz JQQLCKJYGSZBKT-UHFFFAOYSA-N 0 0 418.549 4.088 50 30 HIEARN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000252619907 569303752 /nfs/dbraw/zinc/30/37/52/569303752.db2.gz LUCPJWDYAQJCPS-UHFFFAOYSA-N 0 0 419.934 4.171 50 30 HIEARN C=CCNC(=O)[C@H](C)OC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000007853892 569314761 /nfs/dbraw/zinc/31/47/61/569314761.db2.gz LOABENVHEGSFGV-AWEZNQCLSA-N 0 0 412.536 4.436 50 30 HIEARN COc1ccc(CN=Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 ZINC000252642722 569318805 /nfs/dbraw/zinc/31/88/05/569318805.db2.gz ZOXCZAJNSRRCKH-UHFFFAOYSA-N 0 0 420.425 4.310 50 30 HIEARN Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1Cl ZINC000002235953 569321546 /nfs/dbraw/zinc/32/15/46/569321546.db2.gz ZPFSKYJGZBSNSR-LTUQMTLXSA-N 0 0 405.882 4.378 50 30 HIEARN O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1Cc1ccc(F)cc1 ZINC000002252415 569324119 /nfs/dbraw/zinc/32/41/19/569324119.db2.gz UEUMMIGASYBCBA-ZPOBTFBFSA-N 0 0 406.280 4.054 50 30 HIEARN CCCCNC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002255792 569326295 /nfs/dbraw/zinc/32/62/95/569326295.db2.gz ABVNLXVMCSEYIU-LGJNPRDNSA-N 0 0 420.904 4.232 50 30 HIEARN CCCCCOc1ccc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019893206 569363320 /nfs/dbraw/zinc/36/33/20/569363320.db2.gz BZUJFTXIYGKPFR-IBGZPJMESA-N 0 0 413.514 4.356 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(OC)cc1 ZINC000002443597 569400999 /nfs/dbraw/zinc/40/09/99/569400999.db2.gz VAFSBOSEMFKWKD-UHFFFAOYSA-N 0 0 412.490 4.318 50 30 HIEARN C#CC(CC)(CC)NC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC000007942529 569402047 /nfs/dbraw/zinc/40/20/47/569402047.db2.gz BVPINQRYOBQRDO-UHFFFAOYSA-N 0 0 409.486 4.109 50 30 HIEARN COc1cccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)c1 ZINC000012662523 569402737 /nfs/dbraw/zinc/40/27/37/569402737.db2.gz FCAQRWAINHTJEJ-QRVIBDJDSA-N 0 0 416.429 4.434 50 30 HIEARN N#Cc1ccccc1COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000013141692 569409703 /nfs/dbraw/zinc/40/97/03/569409703.db2.gz XRZKJIZYZALWGN-UHFFFAOYSA-N 0 0 416.820 4.369 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 ZINC000013208244 569410293 /nfs/dbraw/zinc/41/02/93/569410293.db2.gz HBJIOGGAUVLXLQ-FQEVSTJZSA-N 0 0 407.397 4.206 50 30 HIEARN N#CCc1cccc(C(=O)N(CCn2ccnc2)Cc2ccccc2Br)c1 ZINC000328589780 569414770 /nfs/dbraw/zinc/41/47/70/569414770.db2.gz BJBJIDWNJDIWDI-UHFFFAOYSA-N 0 0 423.314 4.054 50 30 HIEARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N1CCCc2cc[nH]c(=O)c21 ZINC000328589911 569414861 /nfs/dbraw/zinc/41/48/61/569414861.db2.gz PNUPFTZWSYYBSL-HXUWFJFHSA-N 0 0 401.466 4.203 50 30 HIEARN Cc1cn(Cc2cccc(C(=O)NCc3ccco3)c2)cc(Br)c1=O ZINC000328593123 569415502 /nfs/dbraw/zinc/41/55/02/569415502.db2.gz CMXHUEFCQZHCCT-UHFFFAOYSA-N 0 0 401.260 4.065 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1c(OC)cccc1OC ZINC000328599769 569416353 /nfs/dbraw/zinc/41/63/53/569416353.db2.gz UACMOJRPRSYGOD-XMSQKQJNSA-N 0 0 410.466 4.032 50 30 HIEARN CSc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000038654341 571052823 /nfs/dbraw/zinc/05/28/23/571052823.db2.gz LGZLKIMEHOSSOI-UHFFFAOYSA-N 0 0 416.550 4.361 50 30 HIEARN N#Cc1ccc(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc32)cc1Cl ZINC000008540612 571075424 /nfs/dbraw/zinc/07/54/24/571075424.db2.gz FRIHAFXTJJDMIT-UHFFFAOYSA-N 0 0 405.841 4.433 50 30 HIEARN N#CCC(=O)Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000008709569 571104755 /nfs/dbraw/zinc/10/47/55/571104755.db2.gz IFJVRJMMQTYZNP-FQEVSTJZSA-N 0 0 407.520 4.450 50 30 HIEARN Cc1nc2cc(C(=O)OCC(=O)Nc3sccc3C#N)ccc2n1-c1ccccc1 ZINC000008826074 571122158 /nfs/dbraw/zinc/12/21/58/571122158.db2.gz VDANIENAGDPYQS-UHFFFAOYSA-N 0 0 416.462 4.063 50 30 HIEARN C[C@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 ZINC000008990566 571206685 /nfs/dbraw/zinc/20/66/85/571206685.db2.gz XVAFXYFJCVMTQN-NTFKBBGSSA-N 0 0 420.490 4.226 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009243340 571240889 /nfs/dbraw/zinc/24/08/89/571240889.db2.gz XSFLCXHKGRARPM-BFUOFWGJSA-N 0 0 418.474 4.249 50 30 HIEARN C[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000009272242 571244503 /nfs/dbraw/zinc/24/45/03/571244503.db2.gz MVEYBBWMMSBPHV-UCVXVQGBSA-N 0 0 420.307 4.442 50 30 HIEARN Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 ZINC000009305307 571246550 /nfs/dbraw/zinc/24/65/50/571246550.db2.gz JANQEJHUEFSVRZ-RPPGKUMJSA-N 0 0 414.444 4.375 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c3nc(COc4ccccc4)nn3cnc1O2 ZINC000009348745 571250490 /nfs/dbraw/zinc/25/04/90/571250490.db2.gz RHIAJEBIOJPIQN-OAQYLSRUSA-N 0 0 424.460 4.235 50 30 HIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@H]2c2cccn2C)c1C#N ZINC000009549163 571268006 /nfs/dbraw/zinc/26/80/06/571268006.db2.gz RQFQGKXLZFYSGI-QHCPKHFHSA-N 0 0 415.541 4.139 50 30 HIEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c1C#N ZINC000009605512 571273194 /nfs/dbraw/zinc/27/31/94/571273194.db2.gz BOYPAWWMMRWJJJ-UHFFFAOYSA-N 0 0 422.529 4.281 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000009665904 571277993 /nfs/dbraw/zinc/27/79/93/571277993.db2.gz AXKFIOLHCGCKPK-UHFFFAOYSA-N 0 0 418.836 4.238 50 30 HIEARN N#Cc1cccnc1N1CCC(CNC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000070929547 571282139 /nfs/dbraw/zinc/28/21/39/571282139.db2.gz ZVMHWPIFMKQGNL-UHFFFAOYSA-N 0 0 403.408 4.010 50 30 HIEARN C[C@@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000009949267 571291360 /nfs/dbraw/zinc/29/13/60/571291360.db2.gz ZXYYXIMWTDOEMF-OAHLLOKOSA-N 0 0 423.538 4.421 50 30 HIEARN C[C@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000009949265 571291375 /nfs/dbraw/zinc/29/13/75/571291375.db2.gz ZXYYXIMWTDOEMF-HNNXBMFYSA-N 0 0 423.538 4.421 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c32)cc1 ZINC000071328163 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PKZLXOYFQNAHNY-XKZIYDEJSA-N 0 0 409.482 4.402 50 30 HIEARN COc1ccc(Br)cc1/C=N/N1CCN(Cc2ccc(C)cc2C)CC1 ZINC000025329674 523491357 /nfs/dbraw/zinc/49/13/57/523491357.db2.gz MTVLUKMEJBUQCQ-OEAKJJBVSA-N 0 0 416.363 4.226 50 30 HIEARN COc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(C)cc1 ZINC000252429334 523493501 /nfs/dbraw/zinc/49/35/01/523493501.db2.gz DUGKZXRSFRKBIQ-UHFFFAOYSA-N 0 0 403.305 4.196 50 30 HIEARN COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)cc2Br)cc1OC ZINC000096766936 523544516 /nfs/dbraw/zinc/54/45/16/523544516.db2.gz WTIXPFFWZNLWMQ-ALCCZGGFSA-N 0 0 407.260 4.380 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2c(C)nn(C)c2C)Nc2cc(C)ccc2C)cc1 ZINC000032972733 523545945 /nfs/dbraw/zinc/54/59/45/523545945.db2.gz VAARDEIMSOUFHY-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN COc1ccc(CCNC2=C(C(=O)Nc3ccccc3)C(=O)CC(C)(C)C2)cc1OC ZINC000100938241 523974001 /nfs/dbraw/zinc/97/40/01/523974001.db2.gz RJDWLKPYMIXXND-UHFFFAOYSA-N 0 0 422.525 4.118 50 30 HIEARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)NC3(C#N)CCCC3)n2n1 ZINC000008131015 524339720 /nfs/dbraw/zinc/33/97/20/524339720.db2.gz XOLNAYNHDSHFRW-UHFFFAOYSA-N 0 0 405.527 4.058 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CCC2 ZINC000027546954 524802000 /nfs/dbraw/zinc/80/20/00/524802000.db2.gz OQOQCIZLLODRGB-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1OC1CCCC1 ZINC000020719646 525236325 /nfs/dbraw/zinc/23/63/25/525236325.db2.gz DFRBBQXYXNIOAR-SFHVURJKSA-N 0 0 418.445 4.380 50 30 HIEARN COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027547889 525385277 /nfs/dbraw/zinc/38/52/77/525385277.db2.gz DAJQATYXTFTAOW-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C#N)c2ccc3c(c2)OCO3)cc1 ZINC000001024884 525513333 /nfs/dbraw/zinc/51/33/33/525513333.db2.gz RJCGKTIBSQPLBA-NRFANRHFSA-N 0 0 420.490 4.180 50 30 HIEARN Cc1c2c(cc3c1OCN(Cc1cccnc1)C3)C(=O)/C(=C/c1ccccc1F)O2 ZINC000054333115 525932309 /nfs/dbraw/zinc/93/23/09/525932309.db2.gz KKVSCXOMNVODEI-FBHDLOMBSA-N 0 0 402.425 4.497 50 30 HIEARN Cc1c2c(cc3c1OCN(Cc1ccccn1)C3)C(=O)/C(=C/c1ccccc1F)O2 ZINC000054333116 525933465 /nfs/dbraw/zinc/93/34/65/525933465.db2.gz VOZLECAEAXOXJE-NHDPSOOVSA-N 0 0 402.425 4.497 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 ZINC000008845236 525985747 /nfs/dbraw/zinc/98/57/47/525985747.db2.gz OTGQWGNUVQDSLN-QKKBWIMNSA-N 0 0 419.433 4.283 50 30 HIEARN N#CCCN(C1CCCCC1)S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002024112 526453927 /nfs/dbraw/zinc/45/39/27/526453927.db2.gz HFLAOLJVHRIPLK-UHFFFAOYSA-N 0 0 413.499 4.499 50 30 HIEARN N#CCCn1cc(/C=C/C(=O)NCCSCc2ccccc2C#N)c2ccccc21 ZINC000012517372 526466592 /nfs/dbraw/zinc/46/65/92/526466592.db2.gz SCCRIXLHFPUVTO-ZHACJKMWSA-N 0 0 414.534 4.489 50 30 HIEARN Cc1nc(-c2ccsc2)sc1C(=O)O[C@H](C)C(=O)Nc1sccc1C#N ZINC000032777462 526620524 /nfs/dbraw/zinc/62/05/24/526620524.db2.gz HJOBMXKPTVOKHL-SNVBAGLBSA-N 0 0 403.510 4.297 50 30 HIEARN N#Cc1ccc(COC(=O)c2nn(-c3ccccc3F)cc2Br)cc1 ZINC000032933250 526629479 /nfs/dbraw/zinc/62/94/79/526629479.db2.gz BENKRTRIFYZOTE-UHFFFAOYSA-N 0 0 400.207 4.003 50 30 HIEARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000032951513 526734808 /nfs/dbraw/zinc/73/48/08/526734808.db2.gz TULZJUWZKFMWGV-UHFFFAOYSA-N 0 0 420.900 4.133 50 30 HIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc(Br)ccc1F ZINC000043748131 526754373 /nfs/dbraw/zinc/75/43/73/526754373.db2.gz ANDMGGFPOYWFCE-UHFFFAOYSA-N 0 0 402.223 4.082 50 30 HIEARN N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036628589 526786588 /nfs/dbraw/zinc/78/65/88/526786588.db2.gz PGRBXHAYJWWAHI-IZZDOVSWSA-N 0 0 418.884 4.332 50 30 HIEARN O=C1c2ccc3c4c(ccc(c42)C(=O)N1/N=C/c1cccc(Br)c1)CC3 ZINC000001444702 527125466 /nfs/dbraw/zinc/12/54/66/527125466.db2.gz GXNCPDGTAYLYKN-FOKLQQMPSA-N 0 0 405.251 4.331 50 30 HIEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1Cc1nc2ccccc2[nH]1 ZINC000218375646 527136209 /nfs/dbraw/zinc/13/62/09/527136209.db2.gz RJEPCXKRYNXJEZ-UHFFFAOYSA-N 0 0 421.913 4.052 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000036395696 527326025 /nfs/dbraw/zinc/32/60/25/527326025.db2.gz SNZVZOJSEAEJPA-LJQANCHMSA-N 0 0 415.518 4.034 50 30 HIEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)o2)cc1 ZINC000017092653 527342376 /nfs/dbraw/zinc/34/23/76/527342376.db2.gz QUALSGZZBWMQIZ-HMAPJEAMSA-N 0 0 421.434 4.320 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(F)cc1 ZINC000032973770 527622535 /nfs/dbraw/zinc/62/25/35/527622535.db2.gz UYNAMHGURAAYHT-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN OC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095671161 527625290 /nfs/dbraw/zinc/62/52/90/527625290.db2.gz XKYXNXAJMRFZSX-REOHCLBHSA-N 0 0 416.080 4.284 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(C)c1)Nc1cc(C)ccc1C ZINC000032972467 527628195 /nfs/dbraw/zinc/62/81/95/527628195.db2.gz NJULGNHFXVYUHM-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000033436795 527658630 /nfs/dbraw/zinc/65/86/30/527658630.db2.gz QASKTMLJSUWCMQ-DGVDTQEHSA-N 0 0 407.853 4.340 50 30 HIEARN COc1ccc(/C=C/c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1OC ZINC000007276020 536595650 /nfs/dbraw/zinc/59/56/50/536595650.db2.gz UZJPPUFNOCVTEC-PKNBQFBNSA-N 0 0 416.481 4.060 50 30 HIEARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000677299 557053441 /nfs/dbraw/zinc/05/34/41/557053441.db2.gz UIWPZGOXFIUCAR-HSZRJFAPSA-N 0 0 423.509 4.456 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001107224 557180731 /nfs/dbraw/zinc/18/07/31/557180731.db2.gz IVBIIYKBHXZVET-JLTOFOAXSA-N 0 0 424.478 4.191 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(F)cc1 ZINC000001123512 557193062 /nfs/dbraw/zinc/19/30/62/557193062.db2.gz VZGNSJRHINEFPF-DJUDNFEDSA-N 0 0 401.438 4.111 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001201717 557239799 /nfs/dbraw/zinc/23/97/99/557239799.db2.gz ZFTRXPQENLFWAQ-VGOFRKELSA-N 0 0 418.449 4.129 50 30 HIEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000002258965 557332145 /nfs/dbraw/zinc/33/21/45/557332145.db2.gz KCMUWHAANPKKHO-UHFFFAOYSA-N 0 0 420.966 4.188 50 30 HIEARN CC(=O)c1cccc(NC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1 ZINC000002312781 557336414 /nfs/dbraw/zinc/33/64/14/557336414.db2.gz VHVHTCWCCSIRMZ-CYBMUJFWSA-N 0 0 409.204 4.022 50 30 HIEARN COc1ccc2ccc(OC)c(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)c2c1 ZINC000002995839 557438675 /nfs/dbraw/zinc/43/86/75/557438675.db2.gz SBXJTACROCBTPJ-BRJLIKDPSA-N 0 0 419.506 4.389 50 30 HIEARN O=C1c2ccccc2C(=O)C(NCC(F)(F)C(F)(F)C(F)(F)C(F)F)=C1Cl ZINC000003045092 557442961 /nfs/dbraw/zinc/44/29/61/557442961.db2.gz ODDMKJYOSCPLRS-UHFFFAOYSA-N 0 0 421.671 4.277 50 30 HIEARN CCCOc1ccccc1[C@H]1C(C(=O)OCCOCC)=C(C)NC2=C1C(=O)CCC2 ZINC000004066332 557509150 /nfs/dbraw/zinc/50/91/50/557509150.db2.gz KQCQTNYUQPNTHX-QFIPXVFZSA-N 0 0 413.514 4.023 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000004158542 557521258 /nfs/dbraw/zinc/52/12/58/557521258.db2.gz MSCRTPOHJCSEKE-CTJICSLTSA-N 0 0 408.310 4.166 50 30 HIEARN COc1ccccc1N1CCN(/N=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000004172144 557524092 /nfs/dbraw/zinc/52/40/92/557524092.db2.gz HYFQULABIWLJIC-LGUFXXKBSA-N 0 0 401.510 4.430 50 30 HIEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)c1 ZINC000004189585 557526907 /nfs/dbraw/zinc/52/69/07/557526907.db2.gz LGTHLNMURRWVPX-FSJXIACGSA-N 0 0 406.482 4.316 50 30 HIEARN N=C(COc1ccc(C2SCCS2)cc1)NOC(=O)c1ccc(Cl)cc1 ZINC000004394441 557551530 /nfs/dbraw/zinc/55/15/30/557551530.db2.gz QATUETHSGMTVHL-UHFFFAOYSA-N 0 0 408.932 4.327 50 30 HIEARN CCOc1ccccc1[C@@H]1C(C(=O)OCCSCC)=C(C)NC2=C1C(=O)CCC2 ZINC000004536382 557564464 /nfs/dbraw/zinc/56/44/64/557564464.db2.gz GQFHYRWUMJITKU-OAQYLSRUSA-N 0 0 415.555 4.350 50 30 HIEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)Oc2ccccc2)[C@H]1c1ccoc1 ZINC000004619160 557573380 /nfs/dbraw/zinc/57/33/80/557573380.db2.gz FWYQTWKAYMEBJL-ZLNRFVROSA-N 0 0 407.429 4.287 50 30 HIEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000004700753 557583658 /nfs/dbraw/zinc/58/36/58/557583658.db2.gz LIIMBIKTHGAITJ-GOTYSUTNSA-N 0 0 415.490 4.205 50 30 HIEARN CC(C)Oc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000004724864 557587102 /nfs/dbraw/zinc/58/71/02/557587102.db2.gz XMKRYZLNENUSHN-FNLSEGDXSA-N 0 0 401.919 4.291 50 30 HIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000004905456 557611791 /nfs/dbraw/zinc/61/17/91/557611791.db2.gz AKSWROUCWIGWAG-SFHVURJKSA-N 0 0 403.475 4.281 50 30 HIEARN Cc1ccccc1[C@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004906666 557611945 /nfs/dbraw/zinc/61/19/45/557611945.db2.gz BQNMQLQKJNOVGJ-JTSKRJEESA-N 0 0 409.526 4.321 50 30 biogenic HIEARN Cc1ccccc1[C@@H]1C(C(=O)OC[C@@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004906670 557611949 /nfs/dbraw/zinc/61/19/49/557611949.db2.gz BQNMQLQKJNOVGJ-HTAPYJJXSA-N 0 0 409.526 4.321 50 30 biogenic HIEARN CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)c1 ZINC000004916283 557613911 /nfs/dbraw/zinc/61/39/11/557613911.db2.gz SLWIVAJXMQQSJM-OXQOHEQNSA-N 0 0 421.493 4.107 50 30 HIEARN O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004915935 557613973 /nfs/dbraw/zinc/61/39/73/557613973.db2.gz CLUKQSKTHOMFSS-MFKMUULPSA-N 0 0 402.859 4.314 50 30 HIEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 ZINC000004957028 557617113 /nfs/dbraw/zinc/61/71/13/557617113.db2.gz BJIZUXWOJCFDQX-YIGWSHRMSA-N 0 0 405.454 4.420 50 30 HIEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c(OC)c1 ZINC000004986714 557621003 /nfs/dbraw/zinc/62/10/03/557621003.db2.gz CCJKGTDWFVFPGB-SUMWQHHRSA-N 0 0 411.885 4.362 50 30 HIEARN COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(O)c2)ccc1OC(C)C ZINC000004987373 557621388 /nfs/dbraw/zinc/62/13/88/557621388.db2.gz FHFBQEAYRARDPX-IEBWSBKVSA-N 0 0 421.493 4.192 50 30 HIEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3ccc(F)cc3)CC1=N2 ZINC000005390582 557650276 /nfs/dbraw/zinc/65/02/76/557650276.db2.gz WQKLYXWMBMBGKK-LRTDBIEQSA-N 0 0 410.399 4.420 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)c1 ZINC000005490708 557657263 /nfs/dbraw/zinc/65/72/63/557657263.db2.gz ZRHWQUGCKFXRCV-NRFANRHFSA-N 0 0 400.434 4.182 50 30 HIEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1=O ZINC000005685119 557668790 /nfs/dbraw/zinc/66/87/90/557668790.db2.gz GKBNCLKGRQUBHC-UHFFFAOYSA-N 0 0 412.470 4.291 50 30 HIEARN CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000006819754 557725273 /nfs/dbraw/zinc/72/52/73/557725273.db2.gz HQFGILQUBKETAX-NQIIRXRSSA-N 0 0 405.494 4.488 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)s3)C(C(F)(F)F)=Nc3ncnn32)cc1 ZINC000002732487 557754757 /nfs/dbraw/zinc/75/47/57/557754757.db2.gz KIGWHXQKWZNUOM-OAHLLOKOSA-N 0 0 420.416 4.371 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 ZINC000002981054 557777266 /nfs/dbraw/zinc/77/72/66/557777266.db2.gz OLZWTOPRHIZAJP-FQEVSTJZSA-N 0 0 415.555 4.202 50 30 HIEARN Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c1 ZINC000003022322 557781817 /nfs/dbraw/zinc/78/18/17/557781817.db2.gz CNTDJYWDVJEVPQ-HOTGVXAUSA-N 0 0 404.507 4.437 50 30 HIEARN CCCCCCCCCCCCCCCCn1c(N)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398362 557786351 /nfs/dbraw/zinc/78/63/51/557786351.db2.gz AMXDEEWNBSFKKI-UHFFFAOYSA-N 0 0 405.587 4.487 50 30 HIEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc4ccccc4n3c2=O)C1=O ZINC000008432984 557788645 /nfs/dbraw/zinc/78/86/45/557788645.db2.gz CFVQWMIWFMBSSJ-MRCUWXFGSA-N 0 0 417.534 4.144 50 30 HIEARN CN(C)/C=C(\C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000008445448 557790126 /nfs/dbraw/zinc/79/01/26/557790126.db2.gz UPVFHVYXAXNAQE-LFIBNONCSA-N 0 0 421.810 4.120 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009046200 557820596 /nfs/dbraw/zinc/82/05/96/557820596.db2.gz HJGXDKNQPMJBBF-FQEVSTJZSA-N 0 0 421.884 4.205 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009244009 557832419 /nfs/dbraw/zinc/83/24/19/557832419.db2.gz IGYJZJDFYWTTTN-OAQYLSRUSA-N 0 0 418.449 4.473 50 30 HIEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c(Br)c3)S2)cc1 ZINC000009311577 557836378 /nfs/dbraw/zinc/83/63/78/557836378.db2.gz DFGKGIWGUMKOET-MHWRWJLKSA-N 0 0 419.300 4.445 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(C)s1 ZINC000019732945 558260064 /nfs/dbraw/zinc/26/00/64/558260064.db2.gz CMICAABVDWCZDJ-QGZVFWFLSA-N 0 0 410.333 4.350 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019761289 558276697 /nfs/dbraw/zinc/27/66/97/558276697.db2.gz WYOQRQRCJHJLDE-XXBNENTESA-N 0 0 402.494 4.395 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019772340 558280393 /nfs/dbraw/zinc/28/03/93/558280393.db2.gz MCZUECQATIWKAX-JLTOFOAXSA-N 0 0 401.528 4.074 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000019898390 558304379 /nfs/dbraw/zinc/30/43/79/558304379.db2.gz JAVVBGNXWZUGRM-KSFYIVLOSA-N 0 0 418.449 4.129 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1 ZINC000019907419 558305835 /nfs/dbraw/zinc/30/58/35/558305835.db2.gz GBLXGHIVLSYURK-WZONZLPQSA-N 0 0 403.478 4.230 50 30 HIEARN CCOC(=O)c1sc(NC(=O)CN2CCC(Cc3ccccc3)CC2)nc1C ZINC000020291187 558353949 /nfs/dbraw/zinc/35/39/49/558353949.db2.gz WTDALCRZAVADQQ-UHFFFAOYSA-N 0 0 401.532 4.171 50 30 HIEARN COC(=O)c1ccc(NC(=Nc2ccc(Cl)cc2)n2sc(C)cc2=N)cc1 ZINC000020343989 558356430 /nfs/dbraw/zinc/35/64/30/558356430.db2.gz WAOZVDBBVQWYMU-UHFFFAOYSA-N 0 0 400.891 4.425 50 30 HIEARN O=[N+]([O-])c1ccccc1NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000012523968 558424594 /nfs/dbraw/zinc/42/45/94/558424594.db2.gz QDMPCLBXGMTBCN-UHFFFAOYSA-N 0 0 415.858 4.496 50 30 HIEARN N#Cc1ccc(C(=O)CSc2nnc(-c3ccc(C(F)(F)F)cn3)s2)cc1 ZINC000004394804 558484736 /nfs/dbraw/zinc/48/47/36/558484736.db2.gz VFAWSCQSXINTJM-UHFFFAOYSA-N 0 0 406.414 4.466 50 30 HIEARN Cc1ccc2nc(C)c(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc2c1 ZINC000012982927 558494100 /nfs/dbraw/zinc/49/41/00/558494100.db2.gz IDVLHBDCXIOTRC-QHCPKHFHSA-N 0 0 402.473 4.013 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 ZINC000013004488 558501525 /nfs/dbraw/zinc/50/15/25/558501525.db2.gz UFUNAIFVSOIFNC-NRFANRHFSA-N 0 0 418.449 4.242 50 30 HIEARN O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000004409801 558503159 /nfs/dbraw/zinc/50/31/59/558503159.db2.gz ZBOCKIWFSUKMGC-FYJGNVAPSA-N 0 0 406.354 4.168 50 30 HIEARN C=C1SC(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)=NC12CCCCC2 ZINC000013464825 558533054 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O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21 ZINC000004555116 558709105 /nfs/dbraw/zinc/70/91/05/558709105.db2.gz ZLWFYKGFZCAQPW-MIFWMJNYSA-N 0 0 401.462 4.119 50 30 HIEARN C#CCN(Cc1ccco1)C(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000072285316 558716089 /nfs/dbraw/zinc/71/60/89/558716089.db2.gz QREWKDGVZDEQSQ-UHFFFAOYSA-N 0 0 409.486 4.240 50 30 HIEARN O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 ZINC000004556233 558725331 /nfs/dbraw/zinc/72/53/31/558725331.db2.gz AXWSLGASPULHCK-AKNQKSQZSA-N 0 0 401.437 4.233 50 30 HIEARN COc1ccccc1NC(=NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000016719036 558802075 /nfs/dbraw/zinc/80/20/75/558802075.db2.gz UGSOGAISZVSRCH-UHFFFAOYSA-N 0 0 407.706 4.265 50 30 HIEARN O=S(=O)(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000017091679 558820242 /nfs/dbraw/zinc/82/02/42/558820242.db2.gz FIKSFIKQEOQHSE-YDZHTSKRSA-N 0 0 418.877 4.371 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000018067012 558830424 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DRYURCTXCGSRSC-FQEVSTJZSA-N 0 0 406.388 4.138 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1OC ZINC000005408952 560583772 /nfs/dbraw/zinc/58/37/72/560583772.db2.gz QBZICVFSTIWOLR-NRFANRHFSA-N 0 0 409.482 4.247 50 30 HIEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1ccc(OC(F)(F)F)cc1 ZINC000005428990 560586304 /nfs/dbraw/zinc/58/63/04/560586304.db2.gz GPSZLSHQKPPQCB-ATVHPVEESA-N 0 0 405.372 4.116 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1cccc(Br)c1 ZINC000003308632 560591865 /nfs/dbraw/zinc/59/18/65/560591865.db2.gz ACEGAIMFIGLHTG-XDHOZWIPSA-N 0 0 414.299 4.487 50 30 HIEARN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C)c(F)c1 ZINC000005476045 560594371 /nfs/dbraw/zinc/59/43/71/560594371.db2.gz KARCNMMNTREKFU-UHFFFAOYSA-N 0 0 407.239 4.185 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100973810 560764566 /nfs/dbraw/zinc/76/45/66/560764566.db2.gz JZNQPJNDVZGYCF-WMUNDEBQSA-N 0 0 418.927 4.187 50 30 HIEARN COc1cc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc(OC)c1OC ZINC000018196818 560782693 /nfs/dbraw/zinc/78/26/93/560782693.db2.gz IUQXAYANGKCLRJ-OAQYLSRUSA-N 0 0 409.438 4.006 50 30 HIEARN COc1ccc([C@@H]2c3c(=N)n(CC(C)C)cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101176022 560787984 /nfs/dbraw/zinc/78/79/84/560787984.db2.gz RFDXFKMFQJSIIQ-IBGZPJMESA-N 0 0 407.514 4.195 50 30 HIEARN C=CCNC(=O)Nc1ccc2c(c1)C(N1CCOCC1)=Nc1cc(Cl)ccc1O2 ZINC000101265750 560790841 /nfs/dbraw/zinc/79/08/41/560790841.db2.gz IKKHBKNHFZGBCP-UHFFFAOYSA-N 0 0 412.877 4.164 50 30 HIEARN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC#N ZINC000101349955 560793281 /nfs/dbraw/zinc/79/32/81/560793281.db2.gz CDXMNCUSFKOGNV-LICLKQGHSA-N 0 0 400.843 4.492 50 30 HIEARN Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3ccccc3F)c3ccccc32)c1 ZINC000101676454 560797862 /nfs/dbraw/zinc/79/78/62/560797862.db2.gz DMHAKTWPAVTYTR-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000101662469 560798100 /nfs/dbraw/zinc/79/81/00/560798100.db2.gz UCRBYHZHHJXKSS-LJQANCHMSA-N 0 0 413.440 4.315 50 30 HIEARN CCCCCCCCn1c(=O)cc(O)nc1SCC(=O)Nc1ccc(C)cc1F ZINC000102691328 560819953 /nfs/dbraw/zinc/81/99/53/560819953.db2.gz OHTMSAPBGNQHIG-UHFFFAOYSA-N 0 0 421.538 4.281 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102926835 560834435 /nfs/dbraw/zinc/83/44/35/560834435.db2.gz WBTBKRODBZSCHF-HOGKFDNTSA-N 0 0 414.461 4.021 50 30 HIEARN CCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)C ZINC000102990929 560836603 /nfs/dbraw/zinc/83/66/03/560836603.db2.gz JXJWHFJUHBLOEC-OAQYLSRUSA-N 0 0 406.567 4.385 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CCc1ccccc1 ZINC000103933890 560845076 /nfs/dbraw/zinc/84/50/76/560845076.db2.gz TWISTNAYROQKOD-UGUGFTGJSA-N 0 0 413.473 4.360 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)c1 ZINC000045940665 568421978 /nfs/dbraw/zinc/42/19/78/568421978.db2.gz GFTCSQKVCJLHPQ-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000046126498 568428696 /nfs/dbraw/zinc/42/86/96/568428696.db2.gz JMNKVTUZSNNXQX-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCc2cccnc2)cc1Cl ZINC000046128004 568428940 /nfs/dbraw/zinc/42/89/40/568428940.db2.gz IBAMNLBRSFHXMJ-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NC[C@H]2CCCO2)c1 ZINC000046129640 568429193 /nfs/dbraw/zinc/42/91/93/568429193.db2.gz KWQVSPZLSZUSIF-OAQYLSRUSA-N 0 0 409.530 4.370 50 30 HIEARN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@@H]2CCCO2)cc1Cl ZINC000046131340 568429413 /nfs/dbraw/zinc/42/94/13/568429413.db2.gz SZDZSAMBKSOTRK-KRWDZBQOSA-N 0 0 401.894 4.034 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@H]2CCCO2)cc1Cl ZINC000046131329 568429428 /nfs/dbraw/zinc/42/94/28/568429428.db2.gz LEBPNQMDLSTWJG-GOSISDBHSA-N 0 0 415.921 4.342 50 30 HIEARN COc1ccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000048342350 568440527 /nfs/dbraw/zinc/44/05/27/568440527.db2.gz CCJCQDZWVOJMQP-DHIUTWEWSA-N 0 0 400.434 4.111 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)Nc3cccnc3Oc3ccccc3)CC2)cc1 ZINC000048344190 568440736 /nfs/dbraw/zinc/44/07/36/568440736.db2.gz LCZHSZUCNRGRSP-UHFFFAOYSA-N 0 0 413.481 4.095 50 30 HIEARN C=CCN(C(=S)Nc1cc(C)ccc1C)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000002768374 568460465 /nfs/dbraw/zinc/46/04/65/568460465.db2.gz URPCLAQHASTGLL-NRFANRHFSA-N 0 0 421.566 4.383 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1O ZINC000002857090 568508851 /nfs/dbraw/zinc/50/88/51/568508851.db2.gz PCJGQOYFTYSCGZ-UHFFFAOYSA-N 0 0 400.891 4.221 50 30 HIEARN C=C(C)Cn1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCC3 ZINC000002849344 568509594 /nfs/dbraw/zinc/50/95/94/568509594.db2.gz AHRUGJHSXLKFRP-UHFFFAOYSA-N 0 0 411.552 4.254 50 30 HIEARN COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1c[nH]c4ccccc14)N(C)CC3)OCO2 ZINC000020113904 568589137 /nfs/dbraw/zinc/58/91/37/568589137.db2.gz SFCDKHFGEPUQLE-AQKVLALTSA-N 0 0 404.466 4.107 50 30 HIEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3ccc(O)cc3)C12 ZINC000012391688 568696080 /nfs/dbraw/zinc/69/60/80/568696080.db2.gz ABXOXHZYVKDATD-DJJJIMSYSA-N 0 0 408.845 4.408 50 30 HIEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1 ZINC000000849292 568710734 /nfs/dbraw/zinc/71/07/34/568710734.db2.gz ZXNUUBZDMKXHKN-VLZBMTSBSA-N 0 0 411.527 4.292 50 30 HIEARN O=C(C=NNc1ccccc1)c1ccc(C(=O)C=NNc2ccccc2)c([N+](=O)[O-])c1 ZINC000245240146 568736058 /nfs/dbraw/zinc/73/60/58/568736058.db2.gz ONPCEZRHCSYLMB-UHFFFAOYSA-N 0 0 415.409 4.156 50 30 HIEARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(C#N)cc2)no1 ZINC000096349656 568738131 /nfs/dbraw/zinc/73/81/31/568738131.db2.gz CBOJOZAXRPVDHB-UHFFFAOYSA-N 0 0 413.481 4.275 50 30 HIEARN COc1cccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c1 ZINC000000973924 568759322 /nfs/dbraw/zinc/75/93/22/568759322.db2.gz VDMDBLGRFQCHFD-SFHVURJKSA-N 0 0 416.271 4.255 50 30 HIEARN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 ZINC000000998402 568761040 /nfs/dbraw/zinc/76/10/40/568761040.db2.gz DBZSPKKGTOUWBW-UHFFFAOYSA-N 0 0 414.918 4.427 50 30 HIEARN CC(C)[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C(=O)c2ccccc2C1=O ZINC000001000364 568761211 /nfs/dbraw/zinc/76/12/11/568761211.db2.gz BPOVXPPWINEUBC-LJQANCHMSA-N 0 0 421.522 4.148 50 30 aggregator HIEARN N#Cc1ccc(N2CCC(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)nc1 ZINC000025282731 568762078 /nfs/dbraw/zinc/76/20/78/568762078.db2.gz PCDAXFVWIFBFAX-DEOSSOPVSA-N 0 0 410.521 4.270 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F ZINC000254566796 568765982 /nfs/dbraw/zinc/76/59/82/568765982.db2.gz NCYGSYMMTNQAIH-KRWDZBQOSA-N 0 0 401.438 4.111 50 30 HIEARN CC(=O)c1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2C#N)c1 ZINC000001125120 568771401 /nfs/dbraw/zinc/77/14/01/568771401.db2.gz KTXJTKFKSICYKQ-UHFFFAOYSA-N 0 0 413.433 4.031 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002617650 568786163 /nfs/dbraw/zinc/78/61/63/568786163.db2.gz SLEXJLXPZOXZKZ-JOCHJYFZSA-N 0 0 405.527 4.081 50 30 HIEARN N#Cc1ccsc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000002625277 568789011 /nfs/dbraw/zinc/78/90/11/568789011.db2.gz CPHFURNGUZCKJW-UHFFFAOYSA-N 0 0 417.537 4.284 50 30 HIEARN N#Cc1c(N)c(C(=O)Nc2c(F)cc(F)cc2Br)sc1NC1CC1 ZINC000215709794 568792805 /nfs/dbraw/zinc/79/28/05/568792805.db2.gz FHDSDMLMEDAYNS-UHFFFAOYSA-N 0 0 413.247 4.069 50 30 HIEARN COc1cc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC ZINC000002653847 568797345 /nfs/dbraw/zinc/79/73/45/568797345.db2.gz LRKINQHTXYKDPW-UHFFFAOYSA-N 0 0 400.500 4.096 50 30 HIEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000005994032 568834568 /nfs/dbraw/zinc/83/45/68/568834568.db2.gz OHMNJVMIXPOUBJ-UHFFFAOYSA-N 0 0 414.889 4.134 50 30 HIEARN Cc1ccc(-n2c3ccccc3nc2SCC(=O)N(CCC#N)CCC#N)cc1 ZINC000006032821 568836077 /nfs/dbraw/zinc/83/60/77/568836077.db2.gz MHMIQJOJLHYFKW-UHFFFAOYSA-N 0 0 403.511 4.082 50 30 HIEARN COc1cc(-c2nnc(SCCC#N)n2-c2ccccc2F)cc(OC)c1OC ZINC000012511920 568840310 /nfs/dbraw/zinc/84/03/10/568840310.db2.gz FUWOLPDSBLTNLK-UHFFFAOYSA-N 0 0 414.462 4.105 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cccnc2)c1 ZINC000019138439 568852573 /nfs/dbraw/zinc/85/25/73/568852573.db2.gz FSMZMGBNUCMYTL-OAQYLSRUSA-N 0 0 400.434 4.182 50 30 HIEARN C=CCn1c(SCc2occc2C(=O)OCC)nc2sc(C)c(C)c2c1=O ZINC000003305145 568853422 /nfs/dbraw/zinc/85/34/22/568853422.db2.gz IQRAIQUTTTVAJL-UHFFFAOYSA-N 0 0 404.513 4.323 50 30 HIEARN O=C(C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000003190692 568860559 /nfs/dbraw/zinc/86/05/59/568860559.db2.gz JRCWDBYCRVMDGX-OAHLLOKOSA-N 0 0 412.314 4.185 50 30 HIEARN Cc1nn(CCC#N)c2c1[P@](=O)(Nc1ccc(C)cc1)N(C)C(c1ccccc1)=N2 ZINC000003199095 568861314 /nfs/dbraw/zinc/86/13/14/568861314.db2.gz XVVNYWKTYHCZTN-PMERELPUSA-N 0 0 418.441 4.368 50 30 HIEARN Cc1ccccc1OCCC(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000003279934 568871530 /nfs/dbraw/zinc/87/15/30/568871530.db2.gz RPVBJEUPDBTVMS-CQSZACIVSA-N 0 0 412.511 4.004 50 30 HIEARN C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2sc(C)c(C)c2c1=O ZINC000003319275 568879911 /nfs/dbraw/zinc/87/99/11/568879911.db2.gz KFEGLXFZHOCNPL-STQMWFEESA-N 0 0 405.589 4.142 50 30 HIEARN N#Cc1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000003349805 568885331 /nfs/dbraw/zinc/88/53/31/568885331.db2.gz ONOUIJYNFIUNAQ-UHFFFAOYSA-N 0 0 404.426 4.387 50 30 HIEARN COc1ccccc1C[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000058109061 568886045 /nfs/dbraw/zinc/88/60/45/568886045.db2.gz JKIMNWZNEPXZIC-LJQANCHMSA-N 0 0 420.534 4.389 50 30 HIEARN C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nc2sc3c(c2c1=O)CCC3 ZINC000012660700 568906998 /nfs/dbraw/zinc/90/69/98/568906998.db2.gz VAEPUJAIKDCURN-OKILXGFUSA-N 0 0 417.600 4.014 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003550800 568914923 /nfs/dbraw/zinc/91/49/23/568914923.db2.gz DWPIRVVBEVXGHN-UONOGXRCSA-N 0 0 419.616 4.022 50 30 HIEARN CC(C)c1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)n2)cc1 ZINC000012695571 568916163 /nfs/dbraw/zinc/91/61/63/568916163.db2.gz NCYJNOVKVWFQJO-CQSZACIVSA-N 0 0 420.542 4.160 50 30 HIEARN CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccn2C)C3=O)o1 ZINC000217971659 568921531 /nfs/dbraw/zinc/92/15/31/568921531.db2.gz UPJSNYOBVASMBL-NHDPSOOVSA-N 0 0 407.422 4.379 50 30 HIEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1OC ZINC000004004739 568933068 /nfs/dbraw/zinc/93/30/68/568933068.db2.gz IIAIKWXZCFLFCY-FQEVSTJZSA-N 0 0 405.454 4.084 50 30 HIEARN COc1ccnc(-n2cccc2/C=N/OCc2cccc(C(F)(F)F)c2)c1C#N ZINC000004024613 568933940 /nfs/dbraw/zinc/93/39/40/568933940.db2.gz AHEHXSAEYQNDFH-RPPGKUMJSA-N 0 0 400.360 4.322 50 30 HIEARN CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O ZINC000004150647 568946965 /nfs/dbraw/zinc/94/69/65/568946965.db2.gz GAYJSFYTBGKJJI-ZVBGSRNCSA-N 0 0 420.332 4.225 50 30 HIEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229532574 568950209 /nfs/dbraw/zinc/95/02/09/568950209.db2.gz FMDNGMXJVQZKKB-BFUOFWGJSA-N 0 0 404.297 4.266 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000004311391 568960797 /nfs/dbraw/zinc/96/07/97/568960797.db2.gz HXLOPFIETIOLAD-OAQYLSRUSA-N 0 0 403.434 4.375 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000004310834 568960867 /nfs/dbraw/zinc/96/08/67/568960867.db2.gz SWFYOFZOSFUMGQ-SFHVURJKSA-N 0 0 406.463 4.248 50 30 HIEARN C#CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O ZINC000004145656 568963317 /nfs/dbraw/zinc/96/33/17/568963317.db2.gz HRQQZLFKELYBJR-KGENOOAVSA-N 0 0 400.409 4.084 50 30 HIEARN C=CCN(C(=S)Nc1cc(C)ccc1C)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000101211452 568963551 /nfs/dbraw/zinc/96/35/51/568963551.db2.gz URPCLAQHASTGLL-OAQYLSRUSA-N 0 0 421.566 4.383 50 30 HIEARN N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000007982819 568963883 /nfs/dbraw/zinc/96/38/83/568963883.db2.gz SHTKYKFEUUUTBY-UHFFFAOYSA-N 0 0 410.429 4.150 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1OC ZINC000005477797 568965311 /nfs/dbraw/zinc/96/53/11/568965311.db2.gz BUBOSIAIOKWCDQ-UHFFFAOYSA-N 0 0 416.453 4.149 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000005499350 568965319 /nfs/dbraw/zinc/96/53/19/568965319.db2.gz XYUIYECQYBJYRP-UHFFFAOYSA-N 0 0 408.527 4.391 50 30 HIEARN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(C#N)cc1 ZINC000007990815 568967062 /nfs/dbraw/zinc/96/70/62/568967062.db2.gz BQOHQGFPWCLHPH-UHFFFAOYSA-N 0 0 413.543 4.132 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc2c1 ZINC000006719497 568968668 /nfs/dbraw/zinc/96/86/68/568968668.db2.gz ANOACLRLDUKDDD-UHFFFAOYSA-N 0 0 420.465 4.196 50 30 HIEARN N#CCCNC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000008089113 568973420 /nfs/dbraw/zinc/97/34/20/568973420.db2.gz UEVMMLQPWWEREC-UHFFFAOYSA-N 0 0 411.512 4.196 50 30 HIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C(C(=O)OC(C)C)=C(C)N2 ZINC000007990941 568976115 /nfs/dbraw/zinc/97/61/15/568976115.db2.gz MCJUGCKKDRJNBX-QGZVFWFLSA-N 0 0 411.527 4.139 50 30 HIEARN N#Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000008135339 568976935 /nfs/dbraw/zinc/97/69/35/568976935.db2.gz BUZBGMNHGFCOCZ-FQEVSTJZSA-N 0 0 414.490 4.081 50 30 HIEARN N#Cc1ccc(CSc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3o2)cc1 ZINC000008327295 568992111 /nfs/dbraw/zinc/99/21/11/568992111.db2.gz LNZXIUXFCZBXDB-UHFFFAOYSA-N 0 0 413.524 4.166 50 30 HIEARN Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc(C#CC(C)(C)O)o2)c1C ZINC000011754208 568992343 /nfs/dbraw/zinc/99/23/43/568992343.db2.gz GHVCCFSPSVMAKA-HXUWFJFHSA-N 0 0 417.509 4.012 50 30 HIEARN CCCCC1N=NC(=S)N1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000006072962 568992860 /nfs/dbraw/zinc/99/28/60/568992860.db2.gz CWCWVRBCXFALJX-XQNSMLJCSA-N 0 0 410.543 4.422 50 30 HIEARN C=C(C)CN(CC)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000012280653 568994371 /nfs/dbraw/zinc/99/43/71/568994371.db2.gz URTLZGTVKCWJLH-QHCPKHFHSA-N 0 0 416.949 4.094 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)Cc1ccccc1 ZINC000012408271 568994536 /nfs/dbraw/zinc/99/45/36/568994536.db2.gz ZYQLDTOFMDGKSQ-UHFFFAOYSA-N 0 0 408.523 4.305 50 30 HIEARN O=C(C#Cc1ccccc1)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000012455916 568994975 /nfs/dbraw/zinc/99/49/75/568994975.db2.gz VTWZIZWYONXKQN-FQEVSTJZSA-N 0 0 408.929 4.027 50 30 HIEARN O=C(C#Cc1ccccc1)N1CCC[C@H](CCC(=O)NCc2ccccc2Cl)C1 ZINC000012455919 568995112 /nfs/dbraw/zinc/99/51/12/568995112.db2.gz VTWZIZWYONXKQN-HXUWFJFHSA-N 0 0 408.929 4.027 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccnn2[C@@H](C)CC)nnc1-c1ccoc1C ZINC000012984363 568997448 /nfs/dbraw/zinc/99/74/48/568997448.db2.gz WLFWZKRICIUNSG-ZFWWWQNUSA-N 0 0 414.535 4.319 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)SC1=S ZINC000013785997 569000738 /nfs/dbraw/zinc/00/07/38/569000738.db2.gz DHTWJJZXHWOKAR-PDGQHHTCSA-N 0 0 412.536 4.268 50 30 HIEARN CCc1ccc(-c2nc(SCC(=O)Nc3c(C#N)oc4ccccc43)n[nH]2)cc1 ZINC000008402216 569001062 /nfs/dbraw/zinc/00/10/62/569001062.db2.gz HHQVLHIVHCJYQL-UHFFFAOYSA-N 0 0 403.467 4.383 50 30 HIEARN C=CCn1c(C)c(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000000685067 569005951 /nfs/dbraw/zinc/00/59/51/569005951.db2.gz MVRCKHDJWNRANY-ZHZULCJRSA-N 0 0 403.507 4.407 50 30 HIEARN C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)nc21 ZINC000001186686 569006314 /nfs/dbraw/zinc/00/63/14/569006314.db2.gz AZASVBSNNWFUEH-UHFFFAOYSA-N 0 0 417.494 4.099 50 30 HIEARN C#CCc1c(C)nc(-c2ccc(C)cc2)nc1N1CCN(c2ccc(OC)cc2)CC1 ZINC000001391372 569006540 /nfs/dbraw/zinc/00/65/40/569006540.db2.gz LNQSMIOOZKVIJM-UHFFFAOYSA-N 0 0 412.537 4.271 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000002113517 569006998 /nfs/dbraw/zinc/00/69/98/569006998.db2.gz WICYXEAXRWSZRP-OAQYLSRUSA-N 0 0 420.494 4.269 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1C ZINC000002214351 569007077 /nfs/dbraw/zinc/00/70/77/569007077.db2.gz HLCXBECAVWFLIV-UHFFFAOYSA-N 0 0 400.454 4.449 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 ZINC000002394598 569007196 /nfs/dbraw/zinc/00/71/96/569007196.db2.gz PGRUGBKARQQRHL-UHFFFAOYSA-N 0 0 403.870 4.049 50 30 HIEARN COc1ccc(-c2nc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)n[nH]2)cc1 ZINC000006141539 569014291 /nfs/dbraw/zinc/01/42/91/569014291.db2.gz ZBPKULZZLDWOFP-UHFFFAOYSA-N 0 0 421.526 4.136 50 30 HIEARN CN(C)c1ccc(/C=N\N=C2\NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000006142355 569014393 /nfs/dbraw/zinc/01/43/93/569014393.db2.gz WJZBJGAIQHLMNQ-OLIBUNOHSA-N 0 0 421.353 4.224 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006160892 569015887 /nfs/dbraw/zinc/01/58/87/569015887.db2.gz DBVRNPDXWGHQKV-NRFANRHFSA-N 0 0 402.425 4.308 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006382597 569024410 /nfs/dbraw/zinc/02/44/10/569024410.db2.gz FYTLKZOOHNWGGB-FQEVSTJZSA-N 0 0 404.422 4.083 50 30 HIEARN CCOc1c(Br)cc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC ZINC000016267073 569030400 /nfs/dbraw/zinc/03/04/00/569030400.db2.gz FVSAKGUHEBBIBZ-ZROIWOOFSA-N 0 0 402.244 4.201 50 30 HIEARN C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012983372 569047580 /nfs/dbraw/zinc/04/75/80/569047580.db2.gz OROPTHPNCRPOAW-OAHLLOKOSA-N 0 0 423.538 4.421 50 30 HIEARN COc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1Br ZINC000244691696 569055077 /nfs/dbraw/zinc/05/50/77/569055077.db2.gz JHNJFCFIQBMPCY-UHFFFAOYSA-N 0 0 416.363 4.226 50 30 HIEARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)CC)c1)C(=O)Nc1cccc(C#N)c1 ZINC000035770390 569058241 /nfs/dbraw/zinc/05/82/41/569058241.db2.gz HJNYYMQCMPYOMU-MRXNPFEDSA-N 0 0 415.515 4.119 50 30 HIEARN COc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000064473893 569063611 /nfs/dbraw/zinc/06/36/11/569063611.db2.gz CUZCDJJNLXOBND-UHFFFAOYSA-N 0 0 400.482 4.279 50 30 HIEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000064473766 569063886 /nfs/dbraw/zinc/06/38/86/569063886.db2.gz IZQXRAWVAGSLJN-UHFFFAOYSA-N 0 0 422.891 4.432 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000005490895 569071977 /nfs/dbraw/zinc/07/19/77/569071977.db2.gz ZQKMCRJYZKHNBE-JOCHJYFZSA-N 0 0 403.482 4.005 50 30 HIEARN CCN1c2ccc(CNC(=O)c3cccc(C#N)c3)cc2Sc2ncccc2C1=O ZINC000064759612 569090945 /nfs/dbraw/zinc/09/09/45/569090945.db2.gz RTRIRBJQRVXGAJ-UHFFFAOYSA-N 0 0 414.490 4.015 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000006691046 569091413 /nfs/dbraw/zinc/09/14/13/569091413.db2.gz IMORDLUXULSIAZ-NRFANRHFSA-N 0 0 419.433 4.075 50 30 HIEARN C=CCn1c(=O)c(CCC(=O)Nc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000006755151 569111909 /nfs/dbraw/zinc/11/19/09/569111909.db2.gz SUWBMBOPJVOJHM-UHFFFAOYSA-N 0 0 401.388 4.173 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)oc2c1 ZINC000006760317 569113410 /nfs/dbraw/zinc/11/34/10/569113410.db2.gz LASSSWOFQPIEIN-UHFFFAOYSA-N 0 0 421.449 4.009 50 30 HIEARN Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12 ZINC000006760699 569113992 /nfs/dbraw/zinc/11/39/92/569113992.db2.gz XCMTYIUCAISGEA-LGJNPRDNSA-N 0 0 410.481 4.295 50 30 HIEARN CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000006783976 569120571 /nfs/dbraw/zinc/12/05/71/569120571.db2.gz YGDUUESRRUBUGH-OAQYLSRUSA-N 0 0 419.433 4.162 50 30 HIEARN CC[C@@H](NC(=O)Cn1c(C)c(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987010 569145241 /nfs/dbraw/zinc/14/52/41/569145241.db2.gz SQIHZFATVQIVDJ-HXUWFJFHSA-N 0 0 403.482 4.250 50 30 HIEARN N#Cc1c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000006880176 569165320 /nfs/dbraw/zinc/16/53/20/569165320.db2.gz ZAIFJFFBRUIDGX-GOSISDBHSA-N 0 0 423.538 4.045 50 30 HIEARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4ccccc4C#N)cc3C2=O)c1 ZINC000006886728 569170264 /nfs/dbraw/zinc/17/02/64/569170264.db2.gz AGUXDOIIOBBYDK-UHFFFAOYSA-N 0 0 410.429 4.333 50 30 HIEARN C[C@@H](Nc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N)c1ccccc1 ZINC000036627738 569212166 /nfs/dbraw/zinc/21/21/66/569212166.db2.gz OHIVYZGYVFNOAE-MRXNPFEDSA-N 0 0 422.510 4.171 50 30 HIEARN Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000007052086 569214107 /nfs/dbraw/zinc/21/41/07/569214107.db2.gz UIOQBWZISLNKPO-GOSISDBHSA-N 0 0 419.506 4.187 50 30 HIEARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccccc1C#N ZINC000007061859 569216989 /nfs/dbraw/zinc/21/69/89/569216989.db2.gz QFKYMAMTDJDBRK-UHFFFAOYSA-N 0 0 410.861 4.078 50 30 HIEARN COCCCNC(Nc1ccc(C(=O)[O-])cc1)=[NH+]CCC12CC3CC(CC(C3)C1)C2 ZINC000065302148 569220366 /nfs/dbraw/zinc/22/03/66/569220366.db2.gz QICGYXZUEDHPED-UHFFFAOYSA-N 0 0 413.562 4.385 50 30 HIEARN CCOC(=O)c1cc(C#N)c(SCc2cc(=O)oc3cc(C)c(C)cc23)nc1C ZINC000007149592 569226515 /nfs/dbraw/zinc/22/65/15/569226515.db2.gz VQKIVOYAWSIIAG-UHFFFAOYSA-N 0 0 408.479 4.454 50 30 HIEARN CCc1ccc(-n2c(C)cc(C(=O)Cn3c(C)cc(COC)c(C#N)c3=O)c2C)cc1 ZINC000007462991 569239994 /nfs/dbraw/zinc/23/99/94/569239994.db2.gz KJEADAZEIWRCHI-UHFFFAOYSA-N 0 0 417.509 4.028 50 30 HIEARN CCOc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007462582 569240010 /nfs/dbraw/zinc/24/00/10/569240010.db2.gz OQLMZYABPRUYME-KRWDZBQOSA-N 0 0 421.522 4.352 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(OC)c1 ZINC000170615289 569247208 /nfs/dbraw/zinc/24/72/08/569247208.db2.gz XFRHIJLZQJVDCM-JTHBVZDNSA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1nc(-c2cccc3ccccc32)oc1N1CCN(CCc2ccccn2)CC1 ZINC000170623756 569249897 /nfs/dbraw/zinc/24/98/97/569249897.db2.gz ZZMQFWNXAXRXQH-UHFFFAOYSA-N 0 0 409.493 4.126 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1F ZINC000006420782 569279881 /nfs/dbraw/zinc/27/98/81/569279881.db2.gz VKFDASYKYSZGHD-FQEVSTJZSA-N 0 0 407.397 4.211 50 30 HIEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000006876061 569280239 /nfs/dbraw/zinc/28/02/39/569280239.db2.gz WPJICFWQPABIPM-SSDVNMTOSA-N 0 0 407.421 4.229 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1C ZINC000013003337 569291745 /nfs/dbraw/zinc/29/17/45/569291745.db2.gz NUGPSHVLWPLARJ-HXUWFJFHSA-N 0 0 404.422 4.083 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2OC)SC1=Nc1ccccc1 ZINC000252602425 569297116 /nfs/dbraw/zinc/29/71/16/569297116.db2.gz FHTZAWCQVARTFJ-LJQANCHMSA-N 0 0 409.511 4.150 50 30 HIEARN CCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000252623010 569308118 /nfs/dbraw/zinc/30/81/18/569308118.db2.gz OHWSHAUEAHRSCS-UHFFFAOYSA-N 0 0 424.522 4.285 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C)cc1 ZINC000252623220 569308329 /nfs/dbraw/zinc/30/83/29/569308329.db2.gz OMQLUFGBABSZOX-BNCGLULESA-N 0 0 416.886 4.456 50 30 HIEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(Cl)cc3)S2)cc1 ZINC000252627765 569310949 /nfs/dbraw/zinc/31/09/49/569310949.db2.gz SBCWTFVNFNTVLJ-KRWDZBQOSA-N 0 0 417.918 4.329 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccccc3OC)C(=O)N2CC)cc1 ZINC000252628371 569311328 /nfs/dbraw/zinc/31/13/28/569311328.db2.gz SOMPOGAGBTWHLV-NPPZMEKISA-N 0 0 410.495 4.496 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1cc([N+](=O)[O-])ccc1C ZINC000252629480 569311560 /nfs/dbraw/zinc/31/15/60/569311560.db2.gz UGXNKMZWAPYSES-GOSISDBHSA-N 0 0 424.482 4.050 50 30 HIEARN Fc1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 ZINC000252641860 569318817 /nfs/dbraw/zinc/31/88/17/569318817.db2.gz ZHBQZHACFWEGGA-UHFFFAOYSA-N 0 0 409.444 4.330 50 30 HIEARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1F ZINC000252679253 569319843 /nfs/dbraw/zinc/31/98/43/569319843.db2.gz JYIOYUIOTDDZHW-SWYYNQHESA-N 0 0 414.396 4.496 50 30 HIEARN CCCCOc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000002277535 569327894 /nfs/dbraw/zinc/32/78/94/569327894.db2.gz XVXOVPHMMXPOPR-LPYMAVHISA-N 0 0 420.922 4.425 50 30 HIEARN O=C(NCc1ccco1)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002288721 569364700 /nfs/dbraw/zinc/36/47/00/569364700.db2.gz RSXJMQHDMINYSZ-UHFFFAOYSA-N 0 0 400.250 4.118 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1)CCCC2 ZINC000000663172 569384083 /nfs/dbraw/zinc/38/40/83/569384083.db2.gz OSPGMPQHMPLAQO-UHFFFAOYSA-N 0 0 407.417 4.461 50 30 HIEARN CN(C)S(=O)(=O)c1ccc(-c2csc(N=NC=CCc3ccccc3)n2)cc1 ZINC000002356297 569385327 /nfs/dbraw/zinc/38/53/27/569385327.db2.gz SCOAMEOSHXGZAW-XJYRWHQTSA-N 0 0 412.540 4.172 50 30 HIEARN Cc1ccccc1/C=N/n1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 ZINC000002370565 569388822 /nfs/dbraw/zinc/38/88/22/569388822.db2.gz JVSYLKHVSNGLBY-VULFUBBASA-N 0 0 412.497 4.030 50 30 HIEARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2CC(C)C)cc1 ZINC000008232097 569389584 /nfs/dbraw/zinc/38/95/84/569389584.db2.gz UANXGHKPVBWROF-UHFFFAOYSA-N 0 0 421.526 4.212 50 30 HIEARN N#Cc1c(N)n(-c2ccc(NC(=O)c3cccs3)cc2)c2nc3ccccc3nc12 ZINC000002421810 569397996 /nfs/dbraw/zinc/39/79/96/569397996.db2.gz YXPJDUFMTWGYKN-UHFFFAOYSA-N 0 0 410.462 4.341 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccncc1 ZINC000002427845 569398732 /nfs/dbraw/zinc/39/87/32/569398732.db2.gz PJDVLXMSMCHRNX-UHFFFAOYSA-N 0 0 401.495 4.410 50 30 HIEARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000082094707 569403410 /nfs/dbraw/zinc/40/34/10/569403410.db2.gz RMVUACYOVFEGNU-UHFFFAOYSA-N 0 0 422.481 4.291 50 30 HIEARN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1C(=O)CCCC1=N2 ZINC000020091519 569404216 /nfs/dbraw/zinc/40/42/16/569404216.db2.gz NLZZUPLIVSRWGO-SFHVURJKSA-N 0 0 413.503 4.491 50 30 HIEARN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3ccc4c(c3)OCO4)c(C)c12 ZINC000012894351 569404655 /nfs/dbraw/zinc/40/46/55/569404655.db2.gz ADINRHNHDXCEGJ-UHFFFAOYSA-N 0 0 421.449 4.275 50 30 HIEARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)S(=O)(=O)c1ccccc1C#N ZINC000012982716 569405773 /nfs/dbraw/zinc/40/57/73/569405773.db2.gz AJCPSIYEXMFMGM-KRWDZBQOSA-N 0 0 419.506 4.192 50 30 HIEARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000012998301 569406207 /nfs/dbraw/zinc/40/62/07/569406207.db2.gz LLWTWEATNJHZGZ-UHFFFAOYSA-N 0 0 420.513 4.087 50 30 HIEARN Cc1c(C#N)c(N)sc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019758272 569429486 /nfs/dbraw/zinc/42/94/86/569429486.db2.gz OIDSIUPZEMYZPU-UHFFFAOYSA-N 0 0 416.550 4.058 50 30 HIEARN CC(C)c1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCc2ccncc2)cc1 ZINC000045939637 571040553 /nfs/dbraw/zinc/04/05/53/571040553.db2.gz UTJMILDTXPQZQE-UHFFFAOYSA-N 0 0 416.481 4.332 50 30 HIEARN Cc1ccc(CNC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)cc1 ZINC000038653607 571052504 /nfs/dbraw/zinc/05/25/04/571052504.db2.gz FFPZNKUYNWMQJK-UHFFFAOYSA-N 0 0 402.473 4.087 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000008973511 571197498 /nfs/dbraw/zinc/19/74/98/571197498.db2.gz CJVWETUDYKOWHS-QGZVFWFLSA-N 0 0 410.407 4.028 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(O)cc1 ZINC000009324637 571248154 /nfs/dbraw/zinc/24/81/54/571248154.db2.gz UOJRDEIUMARCGB-LJQANCHMSA-N 0 0 409.825 4.417 50 30 HIEARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000009337414 571249426 /nfs/dbraw/zinc/24/94/26/571249426.db2.gz LSMWVDOGGQLTKB-UHFFFAOYSA-N 0 0 410.517 4.195 50 30 HIEARN CCOc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O 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ZINC000254790101 854214219 /nfs/dbraw/zinc/21/42/19/854214219.db2.gz DVWVSOQOLABKEQ-UHFFFAOYSA-N 0 0 418.519 4.242 50 30 HIEARN N#Cc1ccccc1CN1CCCC[C@@H]1c1nc(CCOc2ccc(F)cc2)no1 ZINC000575316078 948644477 /nfs/dbraw/zinc/64/44/77/948644477.db2.gz IWGSRUHOOOPZCF-OAQYLSRUSA-N 0 0 406.461 4.429 50 30 HIEARN Cc1ccc(-c2nc(SCc3ccccc3)nc(N3CCN(C)CC3)c2C#N)cc1 ZINC000001383231 132245349 /nfs/dbraw/zinc/24/53/49/132245349.db2.gz UEZSYXJKHQVCPC-UHFFFAOYSA-N 0 0 415.566 4.368 50 30 HIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cccc(C)n2)CC1 ZINC000004889189 132291741 /nfs/dbraw/zinc/29/17/41/132291741.db2.gz QXYCLHDTKLARHL-UHFFFAOYSA-N 0 0 410.525 4.260 50 30 HIEARN Cc1cccc(N2C(=O)N(Cc3cccc(C#N)c3)c3ccccc3S2(=O)=O)c1 ZINC000006918525 132320853 /nfs/dbraw/zinc/32/08/53/132320853.db2.gz BDHQNXQAAMPVDL-UHFFFAOYSA-N 0 0 403.463 4.202 50 30 aggregator HIEARN CCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CSC(C)(C)C2 ZINC000013757300 132459235 /nfs/dbraw/zinc/45/92/35/132459235.db2.gz 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C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000001004097 518772098 /nfs/dbraw/zinc/77/20/98/518772098.db2.gz DEZOCQGCUZCSFG-UHFFFAOYSA-N 0 0 420.534 4.384 50 30 HIEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2ccncc2)c(OC)c1 ZINC000028922924 518853288 /nfs/dbraw/zinc/85/32/88/518853288.db2.gz SFHHFTRQZZWWPW-QHCPKHFHSA-N 0 0 401.466 4.422 50 30 HIEARN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccs2)C(CC)CC)cc1 ZINC000040158091 518956669 /nfs/dbraw/zinc/95/66/69/518956669.db2.gz RQCKJRYNPZOXQC-IBGZPJMESA-N 0 0 406.573 4.120 50 30 HIEARN C=CCOc1ccc(/C=C/C(=O)OCc2cc(=O)n3c4ccccc4sc3n2)cc1 ZINC000032738742 519013839 /nfs/dbraw/zinc/01/38/39/519013839.db2.gz OLUYXUISIKDKSD-FMIVXFBMSA-N 0 0 418.474 4.231 50 30 HIEARN C=CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1OC ZINC000011185604 519027688 /nfs/dbraw/zinc/02/76/88/519027688.db2.gz UONDWFUQDFGUQK-UHFFFAOYSA-N 0 0 418.497 4.497 50 30 HIEARN C=CCc1ccc(OCC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c(OC)c1 ZINC000040134795 519133777 /nfs/dbraw/zinc/13/37/77/519133777.db2.gz WOKGLGMQVCYIKI-RUZDIDTESA-N 0 0 402.494 4.446 50 30 HIEARN C=CCn1c(=O)c2c(ncn2Cc2cccc(C)c2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000037559362 519158160 /nfs/dbraw/zinc/15/81/60/519158160.db2.gz ZOEIKDQQNAKOPH-UHFFFAOYSA-N 0 0 414.509 4.015 50 30 HIEARN C=CCn1c(CNC(=O)c2cccc(OC)c2)nnc1SCc1ccc(C)cc1 ZINC000009582340 519181693 /nfs/dbraw/zinc/18/16/93/519181693.db2.gz PFHJRRFQAABJSB-UHFFFAOYSA-N 0 0 408.527 4.003 50 30 HIEARN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2cc(Cl)ccc2F)nc1C ZINC000024834734 519197424 /nfs/dbraw/zinc/19/74/24/519197424.db2.gz PQRFENHOSNICQZ-UHFFFAOYSA-N 0 0 409.899 4.230 50 30 HIEARN CC(=O)Nc1cc(-c2csc(C)n2)ccc1OCC(=O)Nc1sccc1C#N ZINC000032814332 519702976 /nfs/dbraw/zinc/70/29/76/519702976.db2.gz FBMVMIQHNSPKLU-UHFFFAOYSA-N 0 0 412.496 4.028 50 30 HIEARN CCCCCCCCCCCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000008387161 520015970 /nfs/dbraw/zinc/01/59/70/520015970.db2.gz NVGXYPHETQHUNG-UHFFFAOYSA-N 0 0 417.598 4.335 50 30 biogenic HIEARN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C2CCCCC2)[C@H]1N1CCOCC1 ZINC000015861706 520246099 /nfs/dbraw/zinc/24/60/99/520246099.db2.gz XRTIGTVHHMSHCV-YXQDFNCHSA-N 0 0 410.587 4.164 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccc(O)c(C)c2)C1=O ZINC000036257830 520535682 /nfs/dbraw/zinc/53/56/82/520535682.db2.gz QSQSIDDBTHKCJJ-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc(OC)c(O)c2)C1=O ZINC000036257977 520541572 /nfs/dbraw/zinc/54/15/72/520541572.db2.gz UYRNEGBHWAACAJ-GZTJUZNOSA-N 0 0 415.442 4.084 50 30 HIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccc(OC)cc13)O2 ZINC000020647127 520742234 /nfs/dbraw/zinc/74/22/34/520742234.db2.gz QQVUQYJDNJZNEV-SSDVNMTOSA-N 0 0 406.482 4.351 50 30 HIEARN CCOc1ccc(NC2=C(C(=O)OC)C(=O)C(=Cc3ccc(C)cc3O)S2)cc1 ZINC000036257701 521123984 /nfs/dbraw/zinc/12/39/84/521123984.db2.gz LNQJRHQJIVUAGC-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)[C@H]1CCCN(c2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)C1 ZINC000019820626 521303338 /nfs/dbraw/zinc/30/33/38/521303338.db2.gz SQJAJWYCYCWSKR-AWEZNQCLSA-N 0 0 416.934 4.170 50 30 HIEARN COc1cc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000032922439 521938269 /nfs/dbraw/zinc/93/82/69/521938269.db2.gz QAIPIUONYNVODM-JXMROGBWSA-N 0 0 413.430 4.038 50 30 HIEARN COC(=O)c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 ZINC000038535141 521939876 /nfs/dbraw/zinc/93/98/76/521939876.db2.gz ILRBTZHZGZQIEQ-GDNBJRDFSA-N 0 0 417.284 4.127 50 30 HIEARN CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1 ZINC000020573514 522068381 /nfs/dbraw/zinc/06/83/81/522068381.db2.gz OLZJHYLHYYAMEX-OXQOHEQNSA-N 0 0 422.506 4.222 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1 ZINC000001152180 522882261 /nfs/dbraw/zinc/88/22/61/522882261.db2.gz MWBNJMBCCPNSTN-MWTRTKDXSA-N 0 0 421.468 4.369 50 30 HIEARN COC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000036257271 522894692 /nfs/dbraw/zinc/89/46/92/522894692.db2.gz LPZLIJQRXILEGF-LZYBPNLTSA-N 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523962209 /nfs/dbraw/zinc/96/22/09/523962209.db2.gz MPBFDKYRAYTGGE-UHFFFAOYSA-N 0 0 415.497 4.001 50 30 HIEARN Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc(C#CC(C)(C)O)o2)c1C ZINC000011754207 524148499 /nfs/dbraw/zinc/14/84/99/524148499.db2.gz GHVCCFSPSVMAKA-FQEVSTJZSA-N 0 0 417.509 4.012 50 30 HIEARN C[C@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CC(=O)NCCC#N ZINC000036735203 525116639 /nfs/dbraw/zinc/11/66/39/525116639.db2.gz ATGKMRKYLNBTIH-YJBOKZPZSA-N 0 0 406.917 4.360 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 ZINC000017950619 525517433 /nfs/dbraw/zinc/51/74/33/525517433.db2.gz IRUYSMYHMVMAGR-IVZQSRNASA-N 0 0 415.445 4.382 50 30 HIEARN COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(C)c4)CC3)c2c1 ZINC000044166870 525681578 /nfs/dbraw/zinc/68/15/78/525681578.db2.gz DOYCXWZOXSXWQO-UHFFFAOYSA-N 0 0 418.472 4.418 50 30 HIEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c1OC ZINC000020611222 525768073 /nfs/dbraw/zinc/76/80/73/525768073.db2.gz JSRUEBJBIBOHNI-MNAFEPAFSA-N 0 0 409.482 4.400 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2CCCn2ccnc2)o1 ZINC000000798062 525985410 /nfs/dbraw/zinc/98/54/10/525985410.db2.gz DFKADHVAYPVMJK-NRFANRHFSA-N 0 0 419.481 4.070 50 30 HIEARN Cc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc(C)c1OCc1ccccn1 ZINC000096305620 526088368 /nfs/dbraw/zinc/08/83/68/526088368.db2.gz NGMCJGBAYSIGNO-UYRXBGFRSA-N 0 0 419.502 4.331 50 30 HIEARN Cc1ccc2[nH]c3c([nH]c(=O)n(N=C[C@H](C)Cc4ccc(C(C)(C)C)cc4)c3=O)c2c1 ZINC000009320132 526107869 /nfs/dbraw/zinc/10/78/69/526107869.db2.gz FMGIUPWCRCVTIE-JOBSNELWSA-N 0 0 416.525 4.490 50 30 HIEARN N#CCC[C@@H](C#N)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O ZINC000024989896 526465058 /nfs/dbraw/zinc/46/50/58/526465058.db2.gz WKGLZZNDOILURN-AWEZNQCLSA-N 0 0 407.271 4.270 50 30 HIEARN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000024790588 526505498 /nfs/dbraw/zinc/50/54/98/526505498.db2.gz FRZYCBWFNCICMW-UHFFFAOYSA-N 0 0 419.484 4.393 50 30 HIEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccc(OC(F)(F)F)cc3)C12 ZINC000018200766 527032816 /nfs/dbraw/zinc/03/28/16/527032816.db2.gz RTODCIKGLYGBPH-KZULUSFZSA-N 0 0 416.359 4.185 50 30 HIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc2c(cc1Br)OCO2 ZINC000015016119 527041701 /nfs/dbraw/zinc/04/17/01/527041701.db2.gz XUUWMKJWTIEAMB-UUASQNMZSA-N 0 0 421.247 4.209 50 30 HIEARN O=C(/C(=N\Nc1ccccc1)Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000013142407 527592068 /nfs/dbraw/zinc/59/20/68/527592068.db2.gz SVJGPVYWSQHLHX-BSYVCWPDSA-N 0 0 400.467 4.063 50 30 HIEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033714935 527605807 /nfs/dbraw/zinc/60/58/07/527605807.db2.gz PVFIAQAYMRGDHZ-LFYBBSHMSA-N 0 0 420.328 4.130 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccccc1)Nc1ccc(C)cc1C ZINC000032973570 527621813 /nfs/dbraw/zinc/62/18/13/527621813.db2.gz ARKNBUQQHMAPGL-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(C)c(F)c1)Nc1cccc(C)c1 ZINC000032973607 527622287 /nfs/dbraw/zinc/62/22/87/527622287.db2.gz SCNGEFHFXJTFOR-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(Cl)cc1)Nc1ccc(C)cc1 ZINC000032973591 527622393 /nfs/dbraw/zinc/62/23/93/527622393.db2.gz SVWADYNADOLFTF-UHFFFAOYSA-N 0 0 423.948 4.439 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(F)c1)Nc1ccc(F)cc1 ZINC000032972661 527627773 /nfs/dbraw/zinc/62/77/73/527627773.db2.gz OCXLPIWDYFXVRB-UHFFFAOYSA-N 0 0 411.456 4.022 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(C)c1)Nc1cc(C)cc(C)c1 ZINC000032972479 527628000 /nfs/dbraw/zinc/62/80/00/527628000.db2.gz WEINBKLRWMSBDF-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1F)Nc1cc(C)ccc1C ZINC000032972419 527629368 /nfs/dbraw/zinc/62/93/68/527629368.db2.gz YDIXNLFDANWGKL-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1C)Nc1ccc(C)cc1C ZINC000032972669 527629445 /nfs/dbraw/zinc/62/94/45/527629445.db2.gz NWXZJBOQVXPDRS-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1C)Nc1cc(C)cc(C)c1 ZINC000032972679 527629485 /nfs/dbraw/zinc/62/94/85/527629485.db2.gz QZPDTWZAZISVTC-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000033436794 527659257 /nfs/dbraw/zinc/65/92/57/527659257.db2.gz QASKTMLJSUWCMQ-GBJNBNQZSA-N 0 0 407.853 4.340 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)n1 ZINC000000636663 557029797 /nfs/dbraw/zinc/02/97/97/557029797.db2.gz HWDXSPOZEYOOEU-SFHVURJKSA-N 0 0 419.319 4.011 50 30 HIEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1 ZINC000000805494 557086264 /nfs/dbraw/zinc/08/62/64/557086264.db2.gz AZAXMERSNJHICW-JOCHJYFZSA-N 0 0 419.477 4.247 50 30 biogenic HIEARN O=C1CCCC2=C1[C@@H](c1cccnc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000000959815 557127374 /nfs/dbraw/zinc/12/73/74/557127374.db2.gz PMEBXXIBRKANAY-GOSISDBHSA-N 0 0 416.506 4.022 50 30 HIEARN C=CCc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc(OCC)c1O ZINC000001010874 557141717 /nfs/dbraw/zinc/14/17/17/557141717.db2.gz BOWHMLZCZGZPBR-UYRXBGFRSA-N 0 0 410.495 4.420 50 30 HIEARN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000001117569 557188368 /nfs/dbraw/zinc/18/83/68/557188368.db2.gz LWKPYFMWGCPPLX-OAQYLSRUSA-N 0 0 420.440 4.263 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1ccccn1 ZINC000001131161 557198526 /nfs/dbraw/zinc/19/85/26/557198526.db2.gz NLGXSRAGUXTLET-XDHUDOTRSA-N 0 0 418.493 4.015 50 30 HIEARN COc1c(O)ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1[N+](=O)[O-] ZINC000001136482 557201378 /nfs/dbraw/zinc/20/13/78/557201378.db2.gz YRQIWFGKTZYKPG-UNQHAAFXSA-N 0 0 419.846 4.196 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(O)c(OCC)c2)C1=O ZINC000001168357 557222396 /nfs/dbraw/zinc/22/23/96/557222396.db2.gz RGZGTPIFERAKLK-AQTBWJFISA-N 0 0 411.479 4.335 50 30 HIEARN CC(=O)N(c1cccc(Br)c1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001192831 557237011 /nfs/dbraw/zinc/23/70/11/557237011.db2.gz HMDDZPMOIDTXFW-UHFFFAOYSA-N 0 0 404.647 4.332 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001446545 557266594 /nfs/dbraw/zinc/26/65/94/557266594.db2.gz KYNISLDGEBSIKY-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000002055231 557302162 /nfs/dbraw/zinc/30/21/62/557302162.db2.gz INPLDSGPZUCKLY-NRFANRHFSA-N 0 0 413.514 4.348 50 30 HIEARN CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000002561691 557356578 /nfs/dbraw/zinc/35/65/78/557356578.db2.gz JKLAALGJUHHNEP-LJQANCHMSA-N 0 0 413.514 4.356 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000002727160 557371148 /nfs/dbraw/zinc/37/11/48/557371148.db2.gz RGNNLTQJLZEKOD-OAQYLSRUSA-N 0 0 414.571 4.017 50 30 HIEARN O=C1N/C(=N/N=C/c2ccc3c(c2)OCO3)S/C1=C\c1ccc(Cl)cc1Cl ZINC000003099029 557446467 /nfs/dbraw/zinc/44/64/67/557446467.db2.gz JNLRWBKBSKUWHH-RIKSFRAOSA-N 0 0 420.277 4.316 50 30 HIEARN CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000004062216 557508952 /nfs/dbraw/zinc/50/89/52/557508952.db2.gz LBGSUEVJJKMYDJ-QFIPXVFZSA-N 0 0 413.514 4.404 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000004065907 557509091 /nfs/dbraw/zinc/50/90/91/557509091.db2.gz OUYCYGGJNZULCH-OAQYLSRUSA-N 0 0 411.498 4.124 50 30 HIEARN O=c1c2ccccc2nc2c3ccccc3c(N/N=C/c3c[nH]c4ccccc34)nn12 ZINC000004183670 557526133 /nfs/dbraw/zinc/52/61/33/557526133.db2.gz JCKTTWIFPBDEOA-VULFUBBASA-N 0 0 404.433 4.323 50 30 HIEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)ccc1O ZINC000004189459 557526707 /nfs/dbraw/zinc/52/67/07/557526707.db2.gz CFFSWIJKYJMZAO-XOJPMGEXSA-N 0 0 422.481 4.022 50 30 HIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000004189091 557526740 /nfs/dbraw/zinc/52/67/40/557526740.db2.gz XRRLYOGTZUVJFH-JBZDTAIVSA-N 0 0 421.453 4.134 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccs3)ccc2O1 ZINC000004197122 557527957 /nfs/dbraw/zinc/52/79/57/557527957.db2.gz ILTGJUUOUMYSPI-RBZFPXEDSA-N 0 0 421.474 4.443 50 30 HIEARN CCCCN1C(=O)[C@](O)(CC(=O)C=Cc2ccco2)c2cc(Br)ccc21 ZINC000004554117 557566502 /nfs/dbraw/zinc/56/65/02/557566502.db2.gz RYKGEGBUIHNFRG-DUIUGDAFSA-N 0 0 418.287 4.049 50 30 HIEARN Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)C=Cc3ccco3)c3ccccc32)c1 ZINC000004556276 557567702 /nfs/dbraw/zinc/56/77/02/557567702.db2.gz OZZDUYPYFAEULX-ZEWVGQQJSA-N 0 0 401.462 4.303 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000004621529 557573598 /nfs/dbraw/zinc/57/35/98/557573598.db2.gz BXKSOVBLTKPYSC-NTKDMRAZSA-N 0 0 416.521 4.287 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2cccs2)c1 ZINC000004629663 557574408 /nfs/dbraw/zinc/57/44/08/557574408.db2.gz CQAOUIKELHESGR-LJQANCHMSA-N 0 0 415.511 4.150 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N\c1cccc(Cl)c1 ZINC000004699847 557583175 /nfs/dbraw/zinc/58/31/75/557583175.db2.gz GJWXLWAXTZKFCZ-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1OC ZINC000004699885 557583426 /nfs/dbraw/zinc/58/34/26/557583426.db2.gz DEZFYJVJFJTLBL-MAVBTGMRSA-N 0 0 411.527 4.292 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000004700684 557583516 /nfs/dbraw/zinc/58/35/16/557583516.db2.gz JBKUWSHJZUDZJY-DVCONVQISA-N 0 0 417.918 4.329 50 30 HIEARN C[C@H]1CC(=NNc2ccc(Br)cc2)c2cc(Cl)ccc2S1(=O)=O ZINC000004709690 557585670 /nfs/dbraw/zinc/58/56/70/557585670.db2.gz JNOSGALIRMRYIB-FRKRDKNOSA-N 0 0 413.724 4.485 50 30 HIEARN C/C(=N\NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1 ZINC000004834247 557604663 /nfs/dbraw/zinc/60/46/63/557604663.db2.gz SPOFJRZYSWENDG-DEDYPNTBSA-N 0 0 409.349 4.449 50 30 HIEARN O=C1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004915520 557613770 /nfs/dbraw/zinc/61/37/70/557613770.db2.gz FUTRQVGXHFEHQJ-UKRRQHHQSA-N 0 0 414.820 4.392 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)c1 ZINC000004916218 557613897 /nfs/dbraw/zinc/61/38/97/557613897.db2.gz VOZGZHMISJGVJP-RDTXWAMCSA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004956993 557617139 /nfs/dbraw/zinc/61/71/39/557617139.db2.gz VETCKUBUTRBATI-QKZQKSPISA-N 0 0 405.454 4.420 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)c1 ZINC000004986787 557621023 /nfs/dbraw/zinc/62/10/23/557621023.db2.gz LAYGDKMSJVCSPN-KDOFPFPSSA-N 0 0 411.885 4.362 50 30 HIEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(O)c2)ccc1OC(C)C ZINC000004987371 557621416 /nfs/dbraw/zinc/62/14/16/557621416.db2.gz FHFBQEAYRARDPX-HKUYNNGSSA-N 0 0 421.493 4.192 50 30 HIEARN Cc1cc(C)nc(N=NCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000005031422 557628274 /nfs/dbraw/zinc/62/82/74/557628274.db2.gz JEYUGZPZLQWEIC-YDZHTSKRSA-N 0 0 413.441 4.300 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000005045101 557629328 /nfs/dbraw/zinc/62/93/28/557629328.db2.gz SKJJTXFWXAQTKV-OAHLLOKOSA-N 0 0 412.294 4.280 50 30 HIEARN Cc1ccc(C2N=NC(=S)N2N=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005330936 557645069 /nfs/dbraw/zinc/64/50/69/557645069.db2.gz KDFHGPQZNIGHFF-FYJGNVAPSA-N 0 0 404.455 4.123 50 30 HIEARN CCN(CC)c1ccc([C@H]2c3c(=O)[nH]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005564322 557662258 /nfs/dbraw/zinc/66/22/58/557662258.db2.gz ZVTBNFAIUKLEJX-QGZVFWFLSA-N 0 0 424.570 4.105 50 30 HIEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000005595921 557664340 /nfs/dbraw/zinc/66/43/40/557664340.db2.gz PCYISRJYFQJHBD-HKUYNNGSSA-N 0 0 415.848 4.236 50 30 HIEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005864440 557677910 /nfs/dbraw/zinc/67/79/10/557677910.db2.gz ZMYPFBCXMULJNO-CQSZACIVSA-N 0 0 401.919 4.346 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CCC2 ZINC000006294131 557698448 /nfs/dbraw/zinc/69/84/48/557698448.db2.gz XRNDELJBCPSHKK-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN CN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000006319964 557699042 /nfs/dbraw/zinc/69/90/42/557699042.db2.gz DACZKJYEFVVKQZ-LISDSOCTSA-N 0 0 418.522 4.238 50 30 HIEARN COc1cc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000006720751 557717322 /nfs/dbraw/zinc/71/73/22/557717322.db2.gz RKRHTUUFTJJOQZ-JOCHJYFZSA-N 0 0 422.456 4.147 50 30 HIEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1OC ZINC000006819533 557725026 /nfs/dbraw/zinc/72/50/26/557725026.db2.gz LWWDEZFVXQNFRJ-XJKSGUPXSA-N 0 0 411.885 4.362 50 30 HIEARN CC(=O)c1ccc(NC(=O)C=Cc2cn(CCC#N)nc2-c2ccc(F)cc2)cc1 ZINC000002628669 557736910 /nfs/dbraw/zinc/73/69/10/557736910.db2.gz DUENPYUFCDOXMZ-KPKJPENVSA-N 0 0 402.429 4.457 50 30 HIEARN C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cc(OC)c1O ZINC000008400608 557786746 /nfs/dbraw/zinc/78/67/46/557786746.db2.gz NHROIDQBWYZFLQ-MONBMGCGSA-N 0 0 424.522 4.380 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C ZINC000008837641 557811467 /nfs/dbraw/zinc/81/14/67/557811467.db2.gz SCESYDCSTKFUHC-FQEVSTJZSA-N 0 0 420.490 4.239 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009013791 557819426 /nfs/dbraw/zinc/81/94/26/557819426.db2.gz RVXOMPOZQSKCQA-FQEVSTJZSA-N 0 0 400.390 4.378 50 30 HIEARN CCN(CC)c1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000009484232 557844259 /nfs/dbraw/zinc/84/42/59/557844259.db2.gz DKGYYEKUBQAQCP-ZHRRBRCNSA-N 0 0 403.486 4.133 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000019770270 558279201 /nfs/dbraw/zinc/27/92/01/558279201.db2.gz JIAZCSREDLLJMN-YCRPNKLZSA-N 0 0 413.489 4.152 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019770233 558279255 /nfs/dbraw/zinc/27/92/55/558279255.db2.gz XKYPLGHGIXQHAK-UTKZUKDTSA-N 0 0 413.489 4.152 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(O)c1 ZINC000019770439 558279486 /nfs/dbraw/zinc/27/94/86/558279486.db2.gz BHFJGTSHHZWYLB-MBSDFSHPSA-N 0 0 403.478 4.317 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019972807 558316549 /nfs/dbraw/zinc/31/65/49/558316549.db2.gz IABVJLGSZSZKSY-JOCHJYFZSA-N 0 0 402.494 4.429 50 30 HIEARN CC(=O)C(=CN=S(C)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012367105 558388451 /nfs/dbraw/zinc/38/84/51/558388451.db2.gz DIKPQPBRQIVAME-ZICVCWAASA-N 0 0 411.932 4.009 50 30 HIEARN N=C(CSc1ncccc1C(F)(F)F)NOC(=O)c1ccc(C(F)(F)F)cc1 ZINC000012369752 558389228 /nfs/dbraw/zinc/38/92/28/558389228.db2.gz XNVKFXBSTUCMEM-UHFFFAOYSA-N 0 0 423.338 4.341 50 30 HIEARN C(=NN=c1[nH]c2ccccc2s1)c1ccc(Sc2nnnn2-c2ccccc2)o1 ZINC000012377122 558392318 /nfs/dbraw/zinc/39/23/18/558392318.db2.gz LQQLSSSJLBJOHC-UDWIEESQSA-N 0 0 419.495 4.462 50 30 HIEARN Cc1ccc(NC(=S)N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000012514757 558424290 /nfs/dbraw/zinc/42/42/90/558424290.db2.gz AQPLGRYVAWVUSY-UHFFFAOYSA-N 0 0 409.536 4.117 50 30 HIEARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)s2)c1 ZINC000013137489 558521492 /nfs/dbraw/zinc/52/14/92/558521492.db2.gz SISIWJQWPQQURU-CQSZACIVSA-N 0 0 401.561 4.413 50 30 HIEARN CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(Br)cc1 ZINC000013423883 558532155 /nfs/dbraw/zinc/53/21/55/558532155.db2.gz GDRMXBDHICLWAY-XAIYEJPOSA-N 0 0 418.316 4.039 50 30 HIEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)ccc1O ZINC000013682476 558567510 /nfs/dbraw/zinc/56/75/10/558567510.db2.gz XHIVTOGNOCFBAD-IVZQSRNASA-N 0 0 418.449 4.361 50 30 HIEARN COc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc(OC)c1OC ZINC000013714704 558578257 /nfs/dbraw/zinc/57/82/57/558578257.db2.gz QLSQAHDIHODFRP-SXGWCWSVSA-N 0 0 404.875 4.257 50 30 HIEARN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 ZINC000013749563 558589380 /nfs/dbraw/zinc/58/93/80/558589380.db2.gz HLIJUTRTSWJLDG-WSTZPKSXSA-N 0 0 414.509 4.463 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2ccccc2F)[C@H]1N(O)C(=O)NC1CCCCC1 ZINC000013756842 558590525 /nfs/dbraw/zinc/59/05/25/558590525.db2.gz NDORJQUIRKBZGJ-GKXUUXLPSA-N 0 0 424.567 4.332 50 30 HIEARN N#C/C(=N\Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000013763746 558590973 /nfs/dbraw/zinc/59/09/73/558590973.db2.gz KCCYVUFVGWSCBJ-BUVRLJJBSA-N 0 0 417.406 4.164 50 30 HIEARN CO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1 ZINC000013827862 558596389 /nfs/dbraw/zinc/59/63/89/558596389.db2.gz ONCZDRURRATYFI-TVJDWZFNSA-N 0 0 408.376 4.170 50 30 in-vitro HIEARN CCn1c(C)cc(/C=C2\S/C(=N\c3ccc(N4CCOCC4)cc3)N(C)C2=O)c1C ZINC000013881301 558599771 /nfs/dbraw/zinc/59/97/71/558599771.db2.gz LHTBWDPWZLLQFH-YACCPEJUSA-N 0 0 424.570 4.195 50 30 HIEARN N#Cc1c2c(sc1NC(=O)[C@@H]1CC(c3c(F)cccc3Cl)=NO1)CCCC2 ZINC000004504780 558618223 /nfs/dbraw/zinc/61/82/23/558618223.db2.gz AJZJGMLKRGUNOG-HNNXBMFYSA-N 0 0 403.866 4.423 50 30 HIEARN COc1cc(/C=N/n2cnnc2)ccc1OCCSc1cccc2ccccc21 ZINC000004508484 558622897 /nfs/dbraw/zinc/62/28/97/558622897.db2.gz RRGSUKAIDFCLEL-AFUMVMLFSA-N 0 0 404.495 4.493 50 30 HIEARN C=CCN(Cc1cccs1)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 ZINC000014202365 558637616 /nfs/dbraw/zinc/63/76/16/558637616.db2.gz DSFNOHFADLSWRJ-UHFFFAOYSA-N 0 0 410.568 4.110 50 30 HIEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N[C@](C)(C#N)C1CC1 ZINC000011021902 558677963 /nfs/dbraw/zinc/67/79/63/558677963.db2.gz VIROEZJDSWWLLF-GOSISDBHSA-N 0 0 410.465 4.366 50 30 HIEARN COc1c(O)ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)c1[N+](=O)[O-] ZINC000015016470 558702327 /nfs/dbraw/zinc/70/23/27/558702327.db2.gz YRQIWFGKTZYKPG-XNSDCXBGSA-N 0 0 419.846 4.196 50 30 HIEARN COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000015987912 558765554 /nfs/dbraw/zinc/76/55/54/558765554.db2.gz VJOAOOITYCXDLS-CIAFOILYSA-N 0 0 404.875 4.171 50 30 HIEARN CN(C(=O)CN(CCC#N)Cc1ccccn1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000072308642 558769681 /nfs/dbraw/zinc/76/96/81/558769681.db2.gz YWXNLEQUHBXPSE-VWLOTQADSA-N 0 0 416.500 4.184 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 ZINC000016157785 558774069 /nfs/dbraw/zinc/77/40/69/558774069.db2.gz CNSRFGHARLMCHL-RGVLZGJSSA-N 0 0 419.846 4.129 50 30 HIEARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000016172006 558775244 /nfs/dbraw/zinc/77/52/44/558775244.db2.gz ZSSBCOWDGLHYCQ-FQEVSTJZSA-N 0 0 420.513 4.280 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000016737273 558803005 /nfs/dbraw/zinc/80/30/05/558803005.db2.gz ZXSJOCQIPBHMPK-NRFANRHFSA-N 0 0 407.466 4.248 50 30 HIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000016741316 558803452 /nfs/dbraw/zinc/80/34/52/558803452.db2.gz HWBLHMLUBPOWJX-NRFANRHFSA-N 0 0 405.450 4.024 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000016741466 558803696 /nfs/dbraw/zinc/80/36/96/558803696.db2.gz ZSACHGBRWFHONO-OAQYLSRUSA-N 0 0 407.466 4.248 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccc(OC)cc2)cc1 ZINC000016741465 558803714 /nfs/dbraw/zinc/80/37/14/558803714.db2.gz ZSACHGBRWFHONO-NRFANRHFSA-N 0 0 407.466 4.248 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2cccc(OC)c2)cc1 ZINC000016742392 558804176 /nfs/dbraw/zinc/80/41/76/558804176.db2.gz YDTPOVHKPPEPSK-NRFANRHFSA-N 0 0 407.466 4.248 50 30 HIEARN CSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998198 558808299 /nfs/dbraw/zinc/80/82/99/558808299.db2.gz YEDNDJDNKJLGGB-IBGZPJMESA-N 0 0 423.885 4.230 50 30 HIEARN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000016995740 558811327 /nfs/dbraw/zinc/81/13/27/558811327.db2.gz PFJDADSLLGBQOU-BIXBROTJSA-N 0 0 421.444 4.268 50 30 HIEARN CN(C)c1ccc(/C=C2\C(=O)/C(=C\c3ccc(N(C)C)cc3)[C@@H]3CC[C@H]2N3C)cc1 ZINC000017193591 558825221 /nfs/dbraw/zinc/82/52/21/558825221.db2.gz MYNBPVFKCVOBPM-HPVAHFKZSA-N 0 0 401.554 4.331 50 30 HIEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3C)S2)c(C)c1 ZINC000018254918 558835031 /nfs/dbraw/zinc/83/50/31/558835031.db2.gz GEBDRQBSGVVLOE-STZFKDTASA-N 0 0 407.539 4.340 50 30 HIEARN CC[C@@H](C)c1ccc(OCCCOc2c(/C=N/NC(N)=S)cccc2OC)cc1 ZINC000004600157 558835500 /nfs/dbraw/zinc/83/55/00/558835500.db2.gz ACKGINTVHSYHNJ-DTVDJLOLSA-N 0 0 415.559 4.224 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013653822 558851129 /nfs/dbraw/zinc/85/11/29/558851129.db2.gz GGSMOFWEZDPHKD-PJMHOZITSA-N 0 0 407.466 4.169 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1F ZINC000013719671 558859466 /nfs/dbraw/zinc/85/94/66/558859466.db2.gz JZASITOVKGAPJB-LJQANCHMSA-N 0 0 424.453 4.069 50 30 HIEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21 ZINC000068713123 558864489 /nfs/dbraw/zinc/86/44/89/558864489.db2.gz MQPJOWOYLZIOAZ-YSESTWPTSA-N 0 0 407.853 4.340 50 30 HIEARN COc1cccc(OC)c1C(=O)Oc1cc2c(c(C)c1)C(=O)/C(=C\c1ccncc1)O2 ZINC000068738128 558864717 /nfs/dbraw/zinc/86/47/17/558864717.db2.gz XIMSIVAHVZKBFL-UDWIEESQSA-N 0 0 417.417 4.243 50 30 HIEARN O=S(=O)(/N=C(\c1ccccc1)N1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000006132377 558891435 /nfs/dbraw/zinc/89/14/35/558891435.db2.gz RGKLKJNJAAEHLQ-YYDJUVGSSA-N 0 0 412.461 4.159 50 30 HIEARN CNC(=O)O[C@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccc(Br)cc3)cc2)O1 ZINC000071769386 558911113 /nfs/dbraw/zinc/91/11/13/558911113.db2.gz PFOCNVBPIJSPTF-UYAOXDASSA-N 0 0 416.271 4.169 50 30 HIEARN COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000019536028 558913756 /nfs/dbraw/zinc/91/37/56/558913756.db2.gz VZYFCBBWEMSOEI-QHCPKHFHSA-N 0 0 403.478 4.407 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000019637723 558947446 /nfs/dbraw/zinc/94/74/46/558947446.db2.gz NRIABMVCNRKFDJ-WZONZLPQSA-N 0 0 403.478 4.230 50 30 HIEARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\C(=O)OCCOc1ccc(C#N)cc1 ZINC000096449639 558949146 /nfs/dbraw/zinc/94/91/46/558949146.db2.gz DELMPSVTXZCFFP-SEYXRHQNSA-N 0 0 415.493 4.364 50 30 HIEARN CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl ZINC000097959183 558991618 /nfs/dbraw/zinc/99/16/18/558991618.db2.gz PBPXXFPGBIARCY-SDNWHVSQSA-N 0 0 412.987 4.409 50 30 HIEARN CC(C)Cn1c(CC2(CC(=O)N3CCC(C#N)CC3)CCCC2)nc2cccnc21 ZINC000077298651 559000785 /nfs/dbraw/zinc/00/07/85/559000785.db2.gz YOAAGEBXHVIZFI-UHFFFAOYSA-N 0 0 407.562 4.342 50 30 HIEARN C=CCOc1ccc(/C=C2/N=C(c3ccc(OC(F)F)c(OC)c3)OC2=O)cc1 ZINC000097987602 559008459 /nfs/dbraw/zinc/00/84/59/559008459.db2.gz MEPSQNMALIYEID-LFIBNONCSA-N 0 0 401.365 4.206 50 30 HIEARN CCCCCCCC1CCC(C(=O)N[C@@H](C(=O)NCC(=O)OCC)[C@@H](C)CC)CC1 ZINC000097995703 559011477 /nfs/dbraw/zinc/01/14/77/559011477.db2.gz JCJDRNGOGNQUKC-HKEJHHQYSA-N 0 0 424.626 4.364 50 30 HIEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153769 559021759 /nfs/dbraw/zinc/02/17/59/559021759.db2.gz RRROLHCBMOXUHX-UHFFFAOYSA-N 0 0 424.507 4.400 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(F)c1 ZINC000004736324 559035620 /nfs/dbraw/zinc/03/56/20/559035620.db2.gz CIWAIWUDTYQBKT-CYBMUJFWSA-N 0 0 417.535 4.463 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1OC ZINC000004736371 559035741 /nfs/dbraw/zinc/03/57/41/559035741.db2.gz FSSRUQCNXYEDMD-UHFFFAOYSA-N 0 0 416.453 4.149 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1)CCN(Cc1ccccc1)C2 ZINC000033317852 559055801 /nfs/dbraw/zinc/05/58/01/559055801.db2.gz VVYCZQFSCWLQNT-UHFFFAOYSA-N 0 0 414.534 4.242 50 30 HIEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1sccc1C#N ZINC000011444458 559076332 /nfs/dbraw/zinc/07/63/32/559076332.db2.gz RQHBHMQWDGMMEW-UHFFFAOYSA-N 0 0 419.821 4.171 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F ZINC000004814794 559077506 /nfs/dbraw/zinc/07/75/06/559077506.db2.gz KTHPPLBMRYCWNF-LBPRGKRZSA-N 0 0 403.508 4.154 50 30 HIEARN CC(=O)Nc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000096318697 559109954 /nfs/dbraw/zinc/10/99/54/559109954.db2.gz XVKHRMMXLDJBJQ-HXUWFJFHSA-N 0 0 414.465 4.101 50 30 HIEARN CCCCCCCCCn1c(N=NC(C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000097969000 559125352 /nfs/dbraw/zinc/12/53/52/559125352.db2.gz GWTVBMSVVMESFX-ONUIUJJFSA-N 0 0 424.549 4.010 50 30 HIEARN Cc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1Cl ZINC000100262651 559190832 /nfs/dbraw/zinc/19/08/32/559190832.db2.gz ZPFSKYJGZBSNSR-CULCSUMMSA-N 0 0 405.882 4.378 50 30 HIEARN C=CCOc1ccc(/C=C2\C(=O)N(Cc3ccccc3)C(C)=C2C(=O)OC)cc1OC ZINC000004857316 559192693 /nfs/dbraw/zinc/19/26/93/559192693.db2.gz MOQNBUBSZRUUDT-ZHZULCJRSA-N 0 0 419.477 4.133 50 30 HIEARN C[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000004898860 559199085 /nfs/dbraw/zinc/19/90/85/559199085.db2.gz YJRGBBKBPXHOLB-QMNVRMOGSA-N 0 0 402.317 4.303 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000004918365 559204636 /nfs/dbraw/zinc/20/46/36/559204636.db2.gz YTUWARYTUCJIKC-DENIHFKCSA-N 0 0 410.466 4.032 50 30 HIEARN C=CCN(C(=O)CSc1nnc(C2CC2)n1C)c1nc(-c2ccccc2)cs1 ZINC000004946892 559214068 /nfs/dbraw/zinc/21/40/68/559214068.db2.gz WKSPDIGWWZPSDG-UHFFFAOYSA-N 0 0 411.556 4.127 50 30 HIEARN N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2ccc3c(c2)OCCO3)n1 ZINC000005000357 559226414 /nfs/dbraw/zinc/22/64/14/559226414.db2.gz SAVSXTGDGSNKFC-UHFFFAOYSA-N 0 0 408.845 4.141 50 30 HIEARN CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000005070426 559240584 /nfs/dbraw/zinc/24/05/84/559240584.db2.gz QVOZQMATSNGIQJ-IIGRLWHBSA-N 0 0 411.527 4.338 50 30 HIEARN CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(C#N)c1 ZINC000005125643 559248274 /nfs/dbraw/zinc/24/82/74/559248274.db2.gz GGQBOFYKPLCBNF-CLCOLTQESA-N 0 0 400.221 4.120 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005130369 559249323 /nfs/dbraw/zinc/24/93/23/559249323.db2.gz YMUOUPFJAUZYIT-QFIPXVFZSA-N 0 0 403.482 4.087 50 30 HIEARN CCCCCCCCCn1c(N=NC(C)CCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000100671273 559253290 /nfs/dbraw/zinc/25/32/90/559253290.db2.gz LDDFPIKNRBANAA-LFVJCYFKSA-N 0 0 404.559 4.152 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(O)cc1 ZINC000100819805 559269516 /nfs/dbraw/zinc/26/95/16/559269516.db2.gz CZUXWLKNPRYACQ-LRWZUSMTSA-N 0 0 415.902 4.192 50 30 HIEARN N#CCc1ccc(NC(=O)COC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 ZINC000005260013 560553724 /nfs/dbraw/zinc/55/37/24/560553724.db2.gz XJOSKLPAPRHDCS-UHFFFAOYSA-N 0 0 415.449 4.057 50 30 HIEARN COc1ccccc1-c1nc2c3c(ncn2n1)OC(C)=C(C(C)=O)[C@@H]3c1ccccc1 ZINC000005346247 560570261 /nfs/dbraw/zinc/57/02/61/560570261.db2.gz WOVPTFYJDKPVTL-FQEVSTJZSA-N 0 0 412.449 4.187 50 30 HIEARN COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C\c2ccco2)C3=O)cc1OC ZINC000005443432 560587844 /nfs/dbraw/zinc/58/78/44/560587844.db2.gz LUYAWLGSNBICTA-NDENLUEZSA-N 0 0 406.390 4.441 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000005446291 560588318 /nfs/dbraw/zinc/58/83/18/560588318.db2.gz KKMOFVGAPJPDSA-JOCHJYFZSA-N 0 0 414.461 4.177 50 30 HIEARN C=CCn1c(SCCOc2ccc(OC)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000003326983 560592530 /nfs/dbraw/zinc/59/25/30/560592530.db2.gz HDFGIWIINAEEQB-UHFFFAOYSA-N 0 0 414.552 4.312 50 30 HIEARN CCc1ccc(C[C@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 ZINC000005546256 560607638 /nfs/dbraw/zinc/60/76/38/560607638.db2.gz ZLNXZZAIMTUSPS-NXBZYNMESA-N 0 0 418.522 4.314 50 30 HIEARN CCCCOc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2cccc(OC)c2)S1 ZINC000005546195 560607661 /nfs/dbraw/zinc/60/76/61/560607661.db2.gz KBSOEXZZTLVCTA-KMUCBOENSA-N 0 0 411.527 4.038 50 30 HIEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1cc(=O)c2ccccc2o1 ZINC000100909716 560762558 /nfs/dbraw/zinc/76/25/58/560762558.db2.gz VRPKEMCUAKPNPJ-FCQUAONHSA-N 0 0 406.463 4.135 50 30 HIEARN O=c1[nH][nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196412 560782577 /nfs/dbraw/zinc/78/25/77/560782577.db2.gz OFQXZFCOZDAGLV-ZBEGNZNMSA-N 0 0 408.439 4.043 50 30 HIEARN CCOc1ccc(/N=C2\NN=C(c3cc(C)n(C[C@@H]4CCCO4)c3C)CS2)cc1 ZINC000005692857 560785949 /nfs/dbraw/zinc/78/59/49/560785949.db2.gz XFVBZNFJSRKAAO-IBGZPJMESA-N 0 0 412.559 4.411 50 30 HIEARN CCN(CCO)c1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C2(C)C)cc1 ZINC000018283718 560786273 /nfs/dbraw/zinc/78/62/73/560786273.db2.gz OEHRJLPNEGXNJH-UHFFFAOYSA-N 0 0 410.587 4.325 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn(Cc3ccco3)c(=N)c1[C@H]2c1ccccc1 ZINC000101147448 560788499 /nfs/dbraw/zinc/78/84/99/560788499.db2.gz AQKUNUCDZWXFPG-IBGZPJMESA-N 0 0 401.466 4.171 50 30 HIEARN CCCC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O ZINC000101219152 560790185 /nfs/dbraw/zinc/79/01/85/560790185.db2.gz MJCLIFNCNGDXDK-MKSIGINJSA-N 0 0 402.541 4.379 50 30 HIEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101284734 560790580 /nfs/dbraw/zinc/79/05/80/560790580.db2.gz ASBLWFPZXZNTLX-IBGZPJMESA-N 0 0 413.478 4.379 50 30 HIEARN CCCCCCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000101669044 560798235 /nfs/dbraw/zinc/79/82/35/560798235.db2.gz WVIGXGAPCQSKOO-IBGZPJMESA-N 0 0 406.548 4.084 50 30 HIEARN CCCCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101938445 560804854 /nfs/dbraw/zinc/80/48/54/560804854.db2.gz FTCMORHMLMNSGJ-WOJGMQOQSA-N 0 0 403.351 4.036 50 30 HIEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 ZINC000102369194 560809868 /nfs/dbraw/zinc/80/98/68/560809868.db2.gz GKFATLNNKCFTPW-JBCNATCCSA-N 0 0 418.449 4.084 50 30 HIEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102401881 560810573 /nfs/dbraw/zinc/81/05/73/560810573.db2.gz QTIJXPOVLWVMBK-LQQVSHDKSA-N 0 0 405.494 4.411 50 30 HIEARN O=C(OC/C(=N\O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000102519918 560815589 /nfs/dbraw/zinc/81/55/89/560815589.db2.gz LBOZMWBYJSKVAK-NBVRZTHBSA-N 0 0 413.065 4.247 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102717355 560823274 /nfs/dbraw/zinc/82/32/74/560823274.db2.gz NHTBIRQEMLCNDI-YDJIHCHBSA-N 0 0 411.498 4.344 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102798396 560828066 /nfs/dbraw/zinc/82/80/66/560828066.db2.gz YTDIRSGMZJSZAA-WOOAAIBNSA-N 0 0 420.490 4.477 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102860956 560831712 /nfs/dbraw/zinc/83/17/12/560831712.db2.gz YLDXOJFCVXMTFH-YDJIHCHBSA-N 0 0 407.397 4.049 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102926833 560834446 /nfs/dbraw/zinc/83/44/46/560834446.db2.gz WBTBKRODBZSCHF-MOBKVPTQSA-N 0 0 414.461 4.021 50 30 HIEARN CC1=CC(=O)C=C(C)C1=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000102939713 560835657 /nfs/dbraw/zinc/83/56/57/560835657.db2.gz ZYGQMMOVCBUSJM-FLFQWRMESA-N 0 0 412.898 4.392 50 30 HIEARN CCCc1ccc([C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(C)C)cc1 ZINC000024527779 560843524 /nfs/dbraw/zinc/84/35/24/560843524.db2.gz BNUYKXTZYVZDNX-QFIPXVFZSA-N 0 0 405.546 4.135 50 30 HIEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(Cl)cc3)S2)c1 ZINC000100248519 560850236 /nfs/dbraw/zinc/85/02/36/560850236.db2.gz BHZVWXQMJFMEJZ-OLRQPGBRSA-N 0 0 417.918 4.329 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(F)c(Cl)c2)c1 ZINC000046126321 568428611 /nfs/dbraw/zinc/42/86/11/568428611.db2.gz AFQHXWSNBJNYMJ-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(CC)cc2)cc1 ZINC000046127017 568428809 /nfs/dbraw/zinc/42/88/09/568428809.db2.gz XPMLXZDPGMYRQC-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)cc2C)cc1OC ZINC000046127502 568428830 /nfs/dbraw/zinc/42/88/30/568428830.db2.gz UXGWITDTZQOBMW-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCc1ccc(NC(=NC(=O)c2cccc(NC(C)=O)c2)NCc2ccccn2)cc1 ZINC000046127009 568428840 /nfs/dbraw/zinc/42/88/40/568428840.db2.gz OFDBMQXQDDDXNZ-UHFFFAOYSA-N 0 0 415.497 4.001 50 30 HIEARN Cc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046130289 568429291 /nfs/dbraw/zinc/42/92/91/568429291.db2.gz KAEFCCREAICYIC-SFHVURJKSA-N 0 0 405.420 4.391 50 30 HIEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000046131404 568429426 /nfs/dbraw/zinc/42/94/26/568429426.db2.gz ZAZQNYOZLQIITC-SFHVURJKSA-N 0 0 415.921 4.288 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1F ZINC000006025315 568454744 /nfs/dbraw/zinc/45/47/44/568454744.db2.gz MPXXBBAHXNFOIV-HXUWFJFHSA-N 0 0 407.397 4.211 50 30 HIEARN N#Cc1c2c(sc1NC(=O)[C@@H]1CC(c3cccc(Br)c3)=NO1)CCC2 ZINC000000814979 568490066 /nfs/dbraw/zinc/49/00/66/568490066.db2.gz ORCWNBICSFJPCZ-HNNXBMFYSA-N 0 0 416.300 4.003 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)cc1OC ZINC000604404054 568492293 /nfs/dbraw/zinc/49/22/93/568492293.db2.gz APCNOKYVAINSHG-UWOKGBPVSA-N 0 0 418.401 4.354 50 30 HIEARN C#CCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000002818617 568510017 /nfs/dbraw/zinc/51/00/17/568510017.db2.gz FZWBEEUFTOPYHP-DHDCSXOGSA-N 0 0 410.358 4.318 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1cccc(OC)c1 ZINC000225509414 568644881 /nfs/dbraw/zinc/64/48/81/568644881.db2.gz GLUPCKMNGBAEEO-NFBKMPQASA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1cccnc1OC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000096102857 568690809 /nfs/dbraw/zinc/69/08/09/568690809.db2.gz SAUYMZFQNKYAFZ-UHFFFAOYSA-N 0 0 420.694 4.053 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000012391085 568695567 /nfs/dbraw/zinc/69/55/67/568695567.db2.gz IALFTBQCBIGBPX-VBKZILBWSA-N 0 0 406.417 4.197 50 30 HIEARN COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1 ZINC000012408548 568712240 /nfs/dbraw/zinc/71/22/40/568712240.db2.gz WYJVGZPFKSOWPD-WLRWDXFRSA-N 0 0 424.482 4.128 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000229412764 568713920 /nfs/dbraw/zinc/71/39/20/568713920.db2.gz RBGVQGZNNOUQAA-VFGMZZLHSA-N 0 0 418.588 4.458 50 30 HIEARN COc1ccc(N2CCN(c3oc([C@H]4C[C@H]4c4ccccc4)nc3C#N)CC2)cc1 ZINC000096346446 568737828 /nfs/dbraw/zinc/73/78/28/568737828.db2.gz CMHGXSCJMDQPOY-SFTDATJTSA-N 0 0 400.482 4.153 50 30 HIEARN Fc1ccc(Br)cc1/C=N\c1ccc2c(c1)OCCOCCOCCO2 ZINC000002499635 568769742 /nfs/dbraw/zinc/76/97/42/568769742.db2.gz VNEVUHFFPRHAEP-XKZIYDEJSA-N 0 0 424.266 4.143 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl ZINC000002476886 568774014 /nfs/dbraw/zinc/77/40/14/568774014.db2.gz AGUDZLZUMTUBSB-KUHUBIRLSA-N 0 0 409.869 4.198 50 30 HIEARN C[C@H]1c2ccc(Cl)n2CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000225843407 568783284 /nfs/dbraw/zinc/78/32/84/568783284.db2.gz HTVGQIQBXMIXQS-ZDUSSCGKSA-N 0 0 402.951 4.359 50 30 HIEARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000002601661 568785345 /nfs/dbraw/zinc/78/53/45/568785345.db2.gz MDQYZZXBIIQORP-SNVBAGLBSA-N 0 0 421.910 4.230 50 30 HIEARN N#Cc1cccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)c1 ZINC000002625263 568789126 /nfs/dbraw/zinc/78/91/26/568789126.db2.gz QXIIAPOZGPMVLK-UHFFFAOYSA-N 0 0 404.426 4.387 50 30 HIEARN CCn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1cccs1 ZINC000002627051 568789659 /nfs/dbraw/zinc/78/96/59/568789659.db2.gz NIWOPNZRNOVYNU-UHFFFAOYSA-N 0 0 415.519 4.205 50 30 HIEARN Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c(C)n1-c1ccccc1 ZINC000002636700 568792413 /nfs/dbraw/zinc/79/24/13/568792413.db2.gz XYIJDSOCGHJMIL-UHFFFAOYSA-N 0 0 401.466 4.198 50 30 HIEARN C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002646479 568795111 /nfs/dbraw/zinc/79/51/11/568795111.db2.gz GXADLRJKLFHSND-QGZVFWFLSA-N 0 0 416.433 4.300 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)NC(=O)C[C@H]2c1ccc(CC)cc1 ZINC000230040261 568804315 /nfs/dbraw/zinc/80/43/15/568804315.db2.gz QBGJAWNDGWEBRB-JKSBSHDWSA-N 0 0 423.534 4.104 50 30 HIEARN CCCCOc1ccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc1OC ZINC000002752512 568806678 /nfs/dbraw/zinc/80/66/78/568806678.db2.gz FAAJLANPAMKTGK-JOCHJYFZSA-N 0 0 410.539 4.393 50 30 HIEARN Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000002791715 568810161 /nfs/dbraw/zinc/81/01/61/568810161.db2.gz BTARLAKDFYPBMA-ZDUSSCGKSA-N 0 0 415.519 4.213 50 30 HIEARN CO[C@@]1(C)OCC(=O)[C@@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]32C)O1 ZINC000257355666 568817892 /nfs/dbraw/zinc/81/78/92/568817892.db2.gz BXKJZXSXHCGWHE-IRMOCQOCSA-N 0 0 402.531 4.193 50 30 HIEARN CO[C@@]1(C)OCC(=O)[C@@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O1 ZINC000257355667 568817909 /nfs/dbraw/zinc/81/79/09/568817909.db2.gz BXKJZXSXHCGWHE-SRENHVRVSA-N 0 0 402.531 4.193 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931337 568830042 /nfs/dbraw/zinc/83/00/42/568830042.db2.gz ITVFMEDENRGAKJ-WBMJQRKESA-N 0 0 410.543 4.256 50 30 HIEARN Cc1c(C)n(-c2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)c2ncnc(N)c12 ZINC000012512114 568840311 /nfs/dbraw/zinc/84/03/11/568840311.db2.gz RLPVRQPDEHQOMZ-UHFFFAOYSA-N 0 0 400.398 4.192 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000019138420 568852556 /nfs/dbraw/zinc/85/25/56/568852556.db2.gz GYVXAWVGPYVNJL-QFIPXVFZSA-N 0 0 414.461 4.177 50 30 HIEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000003227287 568864340 /nfs/dbraw/zinc/86/43/40/568864340.db2.gz BJMYLHMGWIASHB-UHFFFAOYSA-N 0 0 400.283 4.161 50 30 HIEARN COc1ccc(-c2csc(C3=C(N)N(c4cc(C)ccc4C)CC3=O)n2)cc1OC ZINC000003230036 568864792 /nfs/dbraw/zinc/86/47/92/568864792.db2.gz YMCVAQNWTZSRIM-UHFFFAOYSA-N 0 0 421.522 4.161 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2sc(CC)cc2c1=O ZINC000003268719 568870139 /nfs/dbraw/zinc/87/01/39/568870139.db2.gz ZIOXVESNBJIAFR-AWEZNQCLSA-N 0 0 413.568 4.176 50 30 HIEARN C=CCn1c(SCC(=O)c2ccccc2OC)nc2sc(CC)cc2c1=O ZINC000003268768 568870174 /nfs/dbraw/zinc/87/01/74/568870174.db2.gz YYQKICMPUJQGFO-UHFFFAOYSA-N 0 0 400.525 4.190 50 30 HIEARN O=C(COC(=O)COc1ccccc1F)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003270074 568870378 /nfs/dbraw/zinc/87/03/78/568870378.db2.gz CUZPEFCGFYHZLX-UHFFFAOYSA-N 0 0 406.719 4.103 50 30 HIEARN Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1 ZINC000003292011 568874007 /nfs/dbraw/zinc/87/40/07/568874007.db2.gz NPIKNMFCGIJFNK-UHFFFAOYSA-N 0 0 423.567 4.415 50 30 HIEARN Oc1ccc(Br)cc1/C=N/c1cc2c(cc1Br)OCCO2 ZINC000001230556 568877764 /nfs/dbraw/zinc/87/77/64/568877764.db2.gz GWSRNBUEDKRLBB-QGMBQPNBSA-N 0 0 413.065 4.439 50 30 HIEARN CC(C)COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000003353785 568886094 /nfs/dbraw/zinc/88/60/94/568886094.db2.gz PJGQFSXOTFBQKX-UHFFFAOYSA-N 0 0 412.511 4.329 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2sc(C)c(C)c2c1=O ZINC000003470675 568907840 /nfs/dbraw/zinc/90/78/40/568907840.db2.gz QUSRVYAKTFVPAZ-WOSRLPQWSA-N 0 0 419.616 4.294 50 30 HIEARN COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc(OC)c1OC ZINC000217816266 568914014 /nfs/dbraw/zinc/91/40/14/568914014.db2.gz VQHXFFMXCLJDCM-CQSZACIVSA-N 0 0 410.422 4.022 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCC(=O)N1CCCCCC1 ZINC000058441168 568919232 /nfs/dbraw/zinc/91/92/32/568919232.db2.gz GMYSKKAHPGQTJN-UHFFFAOYSA-N 0 0 407.539 4.232 50 30 HIEARN Cc1ccc(C(=O)OC2=C(CS(=O)(=O)c3ccccc3)C(=O)CC(C)(C)C2)cc1 ZINC000001400578 568926833 /nfs/dbraw/zinc/92/68/33/568926833.db2.gz HZRMKVYAXFWLER-UHFFFAOYSA-N 0 0 412.507 4.269 50 30 HIEARN COc1ccc2[nH]c(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)nc2c1 ZINC000004252319 568955350 /nfs/dbraw/zinc/95/53/50/568955350.db2.gz YABALCOOTDQERD-NSHDSACASA-N 0 0 412.540 4.360 50 30 HIEARN COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc21 ZINC000004273233 568957626 /nfs/dbraw/zinc/95/76/26/568957626.db2.gz AESSZWPTYLBJCS-UHFFFAOYSA-N 0 0 400.463 4.419 50 30 HIEARN Cc1nc2cc(C(=O)OCC(=O)Nc3cccc(C#N)c3)ccc2n1-c1ccccc1 ZINC000004289365 568959350 /nfs/dbraw/zinc/95/93/50/568959350.db2.gz NXSUPWJIIADKPH-UHFFFAOYSA-N 0 0 410.433 4.001 50 30 HIEARN C=CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2cc(C)ccc2C)C1=O ZINC000004554838 568963917 /nfs/dbraw/zinc/96/39/17/568963917.db2.gz LGERBSRNIZIWGK-NRFANRHFSA-N 0 0 414.299 4.059 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(F)cc1 ZINC000005884135 568965909 /nfs/dbraw/zinc/96/59/09/568965909.db2.gz DXHNNOQIFUDRSG-UHFFFAOYSA-N 0 0 411.506 4.067 50 30 HIEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(OCc5ccccc5)cc4)CC3=O)nc2c1 ZINC000007995059 568967137 /nfs/dbraw/zinc/96/71/37/568967137.db2.gz DRIUSEOXVJDUQF-UHFFFAOYSA-N 0 0 410.477 4.167 50 30 HIEARN C=C(C)C(=O)Oc1ccc2c(c1)Oc1cc(O)ccc1[C@]21OC(=O)c2ccccc21 ZINC000006614173 568968740 /nfs/dbraw/zinc/96/87/40/568968740.db2.gz YMHPNLUYVDEYCI-DEOSSOPVSA-N 0 0 400.386 4.442 50 30 HIEARN Cc1cc(C)c(C#N)c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000008026187 568969045 /nfs/dbraw/zinc/96/90/45/568969045.db2.gz IAZHZJYNNABDKG-LJQANCHMSA-N 0 0 423.538 4.187 50 30 HIEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000008158255 568976686 /nfs/dbraw/zinc/97/66/86/568976686.db2.gz OOVMHMPUPUZVOP-UHFFFAOYSA-N 0 0 416.477 4.313 50 30 HIEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000004309025 568978054 /nfs/dbraw/zinc/97/80/54/568978054.db2.gz DDDMJVPFNBFLRY-UHFFFAOYSA-N 0 0 415.478 4.189 50 30 HIEARN C=CCSc1nnc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)s1 ZINC000008746470 568983499 /nfs/dbraw/zinc/98/34/99/568983499.db2.gz VNNUUVHZZDLQLZ-UHFFFAOYSA-N 0 0 423.523 4.295 50 30 HIEARN COc1cc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)c(Br)cc1O ZINC000063556703 568986140 /nfs/dbraw/zinc/98/61/40/568986140.db2.gz OVILUROYSWXSHX-AATRIKPKSA-N 0 0 418.243 4.016 50 30 HIEARN N#Cc1ccccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000006053912 568988603 /nfs/dbraw/zinc/98/86/03/568988603.db2.gz NAZJYOSLXMPILS-UHFFFAOYSA-N 0 0 411.508 4.222 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CN1CCC[C@H]1c1ccc3c(c1)OCCCO3)CCC2 ZINC000008310440 568988724 /nfs/dbraw/zinc/98/87/24/568988724.db2.gz ZFJHOOGFRYIFOV-SFHVURJKSA-N 0 0 423.538 4.045 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccccc1F ZINC000006079102 568994156 /nfs/dbraw/zinc/99/41/56/568994156.db2.gz GJMRXQXYZFJUOL-UHFFFAOYSA-N 0 0 403.870 4.049 50 30 HIEARN O=C(C#Cc1ccccc1)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012314264 568994936 /nfs/dbraw/zinc/99/49/36/568994936.db2.gz XXIHEUVEHWRUGP-QHCPKHFHSA-N 0 0 422.528 4.374 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2sc(C)c(C)c2c1=O ZINC000013137458 568998445 /nfs/dbraw/zinc/99/84/45/568998445.db2.gz JOKKQBLNDBYEKV-UHFFFAOYSA-N 0 0 420.947 4.040 50 30 HIEARN C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013566929 569000286 /nfs/dbraw/zinc/00/02/86/569000286.db2.gz SITXVICDKLUHIX-UHFFFAOYSA-N 0 0 420.300 4.366 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccc(C)c1 ZINC000013805417 569000927 /nfs/dbraw/zinc/00/09/27/569000927.db2.gz GWUZXGPEYUGLRH-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN C=CCN(C(=O)CCc1nc(-c2ccsc2)no1)c1nc2c(s1)CCCC2 ZINC000015609737 569005050 /nfs/dbraw/zinc/00/50/50/569005050.db2.gz SRNXNNRDPZVBNJ-UHFFFAOYSA-N 0 0 400.529 4.285 50 30 HIEARN C=CCn1c(=O)c2c(nc1SCC(=O)Nc1ccccc1F)sc1c2CCC1 ZINC000000628401 569005916 /nfs/dbraw/zinc/00/59/16/569005916.db2.gz OARAFUXXRWAUSM-UHFFFAOYSA-N 0 0 415.515 4.003 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1cccc(C)c1 ZINC000001077037 569006243 /nfs/dbraw/zinc/00/62/43/569006243.db2.gz WTHHPUQANVMIIM-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN C=CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000001035679 569006284 /nfs/dbraw/zinc/00/62/84/569006284.db2.gz UCEUHGREAIOMDC-UHFFFAOYSA-N 0 0 410.930 4.466 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000002452933 569007399 /nfs/dbraw/zinc/00/73/99/569007399.db2.gz ABYLWGUCVAVKCN-UHFFFAOYSA-N 0 0 412.490 4.221 50 30 HIEARN CN(C)c1ccc(/C=N\N=C2\NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000006142354 569014398 /nfs/dbraw/zinc/01/43/98/569014398.db2.gz WJZBJGAIQHLMNQ-VBHHZLGVSA-N 0 0 421.353 4.224 50 30 HIEARN N#CC1(C#N)[C@@H](C(=O)c2ccc(F)cc2)C12CCN(C(=O)OCc1ccccc1)CC2 ZINC000006282286 569037318 /nfs/dbraw/zinc/03/73/18/569037318.db2.gz WFRHIBDSGDKCER-NRFANRHFSA-N 0 0 417.440 4.091 50 30 HIEARN CCCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](CC)C2 ZINC000006400201 569046732 /nfs/dbraw/zinc/04/67/32/569046732.db2.gz MDRZPQXKMKHPKH-CYBMUJFWSA-N 0 0 403.577 4.175 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccc(Br)o1 ZINC000103112084 569050365 /nfs/dbraw/zinc/05/03/65/569050365.db2.gz LODWRJKHDVAGNI-MHWRWJLKSA-N 0 0 404.260 4.080 50 30 HIEARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1 ZINC000001776410 569052547 /nfs/dbraw/zinc/05/25/47/569052547.db2.gz FMFGONSADNJHQB-WGOQTCKBSA-N 0 0 412.493 4.232 50 30 HIEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000006463480 569057758 /nfs/dbraw/zinc/05/77/58/569057758.db2.gz XXSMWGUQUYCKFA-MFOYZWKCSA-N 0 0 403.228 4.007 50 30 HIEARN COc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)c1 ZINC000064473732 569063815 /nfs/dbraw/zinc/06/38/15/569063815.db2.gz NOFKQCIYSUHMDJ-UHFFFAOYSA-N 0 0 404.445 4.109 50 30 HIEARN COc1ccc2c(c1)ncc(C#N)c2N1CCC(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000064473652 569063825 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CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O ZINC000002362246 569387326 /nfs/dbraw/zinc/38/73/26/569387326.db2.gz REIHISXJZNQQOH-RTEBGVHSSA-N 0 0 415.490 4.087 50 30 HIEARN Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccccn3)c3nc4ccccc4nc32)cc1 ZINC000002392000 569394024 /nfs/dbraw/zinc/39/40/24/569394024.db2.gz YSKSNCAWDZHKIT-MZJWZYIUSA-N 0 0 421.464 4.005 50 30 HIEARN Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(C)CC2)c1 ZINC000002424361 569398441 /nfs/dbraw/zinc/39/84/41/569398441.db2.gz HEARFAFSSLIGJE-NRFANRHFSA-N 0 0 420.538 4.213 50 30 HIEARN CCCCn1c(N)c2c(cc(-c3ccc(C)cc3)n(CCCC)c2=O)c(C#N)c1=O ZINC000068754925 569400321 /nfs/dbraw/zinc/40/03/21/569400321.db2.gz YPGRFLYJDBZKCI-UHFFFAOYSA-N 0 0 404.514 4.193 50 30 HIEARN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 ZINC000012858675 569404055 /nfs/dbraw/zinc/40/40/55/569404055.db2.gz CGXOQKAXPUBYIZ-UHFFFAOYSA-N 0 0 401.401 4.082 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3ccc(CCO)cc3)c(=O)oc2c1 ZINC000012896330 569404788 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O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006813904 557724593 /nfs/dbraw/zinc/72/45/93/557724593.db2.gz SAWIJWZEUOWCSO-NRFANRHFSA-N 0 0 414.417 4.373 50 30 HIEARN COC(=O)c1ccc(COc2ccc3ccccc3c2C=Nn2c(C)n[nH]c2=S)o1 ZINC000002792724 557764636 /nfs/dbraw/zinc/76/46/36/557764636.db2.gz VXGHFFXWIZOKJD-SSDVNMTOSA-N 0 0 422.466 4.243 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008715664 557801277 /nfs/dbraw/zinc/80/12/77/557801277.db2.gz OBGANYMUPTWEDK-IERDGZPVSA-N 0 0 407.510 4.252 50 30 HIEARN N#Cc1ccc(CN2CCN(Cc3csc(COc4ccc(F)cc4)n3)CC2)cc1 ZINC000022785749 557820869 /nfs/dbraw/zinc/82/08/69/557820869.db2.gz JWWBBDJZNODYQR-UHFFFAOYSA-N 0 0 422.529 4.051 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019774608 558280807 /nfs/dbraw/zinc/28/08/07/558280807.db2.gz SSZYHSHBAAXNBH-HNAYVOBHSA-N 0 0 401.528 4.074 50 30 HIEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000019798082 558284825 /nfs/dbraw/zinc/28/48/25/558284825.db2.gz SMKJLPJLEKBJEK-OAQYLSRUSA-N 0 0 410.470 4.439 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000019818153 558288431 /nfs/dbraw/zinc/28/84/31/558288431.db2.gz CDVUGSZHAPPUFJ-QFIPXVFZSA-N 0 0 418.449 4.306 50 30 HIEARN COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000019827942 558291301 /nfs/dbraw/zinc/29/13/01/558291301.db2.gz LTLIITILUZOBEW-DEOSSOPVSA-N 0 0 417.505 4.449 50 30 HIEARN O=C1NC(=Nc2ccc(O)cc2)SC1=C1C(=O)Nc2ccc(Br)cc21 ZINC000012032316 558311364 /nfs/dbraw/zinc/31/13/64/558311364.db2.gz YPGNQEYURCOWNC-YPKPFQOOSA-N 0 0 416.256 4.209 50 30 HIEARN C#CCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000019973813 558316857 /nfs/dbraw/zinc/31/68/57/558316857.db2.gz VXSXNILJHFIFDI-UHFFFAOYSA-N 0 0 411.885 4.062 50 30 HIEARN O=[N+]([O-])c1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020065134 558330392 /nfs/dbraw/zinc/33/03/92/558330392.db2.gz VWIBXJATTNATIR-NCELDCMTSA-N 0 0 400.482 4.336 50 30 HIEARN C/N=C1/S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1C ZINC000012436974 558409233 /nfs/dbraw/zinc/40/92/33/558409233.db2.gz PBOOAKJUAFXNJF-XQGMVTDFSA-N 0 0 410.568 4.438 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005607710 558488779 /nfs/dbraw/zinc/48/87/79/558488779.db2.gz DDQKBSIXLKCBKA-JOCHJYFZSA-N 0 0 405.473 4.463 50 30 HIEARN Cc1ccc2nc(C)c(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc2c1 ZINC000012982928 558494096 /nfs/dbraw/zinc/49/40/96/558494096.db2.gz IDVLHBDCXIOTRC-HSZRJFAPSA-N 0 0 402.473 4.013 50 30 HIEARN CCOC(=O)c1cnc(C(F)(F)F)nc1N=NCc1c(Cl)cccc1Cl ZINC000013469684 558533758 /nfs/dbraw/zinc/53/37/58/558533758.db2.gz IJWIWOPNYRJPKH-HOEBFWFUSA-N 0 0 407.179 4.425 50 30 HIEARN COc1ccc(-c2csc(C3=C(N)N([C@@H](C)c4ccccc4)CC3=O)n2)cc1OC ZINC000013571537 558542097 /nfs/dbraw/zinc/54/20/97/558542097.db2.gz NLROULHTRQKJCN-AWEZNQCLSA-N 0 0 421.522 4.101 50 30 HIEARN COc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000004491440 558609593 /nfs/dbraw/zinc/60/95/93/558609593.db2.gz QXBLNYMOZIKTAS-KRXBUXKQSA-N 0 0 409.179 4.104 50 30 HIEARN CCOc1ccc(C(=O)/C(=N\Nc2ccccc2)c2nc3ccccc3oc2=O)cc1 ZINC000004491435 558609598 /nfs/dbraw/zinc/60/95/98/558609598.db2.gz HOZQWEJTACUWOR-MEFGMAGPSA-N 0 0 413.433 4.286 50 30 HIEARN COc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)s2)c1 ZINC000004501311 558618880 /nfs/dbraw/zinc/61/88/80/558618880.db2.gz BFGLBGCHLPWMQQ-LBPRGKRZSA-N 0 0 411.512 4.281 50 30 HIEARN CCC(=O)C1=C(c2ccc(Cl)c(Cl)c2)N(C(=O)CC)n2c(C)nnc2S1 ZINC000004518226 558641824 /nfs/dbraw/zinc/64/18/24/558641824.db2.gz AIAXQFAVVLHVLR-UHFFFAOYSA-N 0 0 411.314 4.222 50 30 HIEARN C=CCNC(=S)N/N=C/c1ccc(OCCSc2ccc(C)cc2)c(OC)c1 ZINC000004549037 558672750 /nfs/dbraw/zinc/67/27/50/558672750.db2.gz NRJWOKWMUBSSBX-HZHRSRAPSA-N 0 0 415.584 4.159 50 30 HIEARN CCOc1c(O)ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)c1[N+](=O)[O-] ZINC000015015810 558701852 /nfs/dbraw/zinc/70/18/52/558701852.db2.gz UMZMBWDABHGLBZ-ZSOIEALJSA-N 0 0 419.846 4.244 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000004574136 558745410 /nfs/dbraw/zinc/74/54/10/558745410.db2.gz AAEZQQNAZYANMV-UHFFFAOYSA-N 0 0 400.494 4.398 50 30 HIEARN Cc1[nH]c(=O)c(C(=O)/C=C/c2ccc(I)cc2)c2c1CCCC2 ZINC000015778269 558752580 /nfs/dbraw/zinc/75/25/80/558752580.db2.gz RWJYBVMMEKRAMB-DHZHZOJOSA-N 0 0 419.262 4.063 50 30 HIEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1 ZINC000015952535 558763967 /nfs/dbraw/zinc/76/39/67/558763967.db2.gz BIRJMHSDSIWFBL-JJJRJKGESA-N 0 0 417.454 4.079 50 30 HIEARN N#CCCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000072306445 558765933 /nfs/dbraw/zinc/76/59/33/558765933.db2.gz FXLOYWVZOOMPNR-UHFFFAOYSA-N 0 0 420.416 4.433 50 30 HIEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccco3)C12 ZINC000016956763 558810279 /nfs/dbraw/zinc/81/02/79/558810279.db2.gz LADIOSBAWGGANY-YVEFUNNKSA-N 0 0 400.360 4.306 50 30 HIEARN CCOc1ccc2nc(NC(N)=NC(=S)Nc3ccc(C)c(C)c3)nc(C)c2c1 ZINC000017194917 558825413 /nfs/dbraw/zinc/82/54/13/558825413.db2.gz PGNRDDCGVKWMST-UHFFFAOYSA-N 0 0 408.531 4.298 50 30 aggregator HIEARN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000033011231 558831207 /nfs/dbraw/zinc/83/12/07/558831207.db2.gz FWGQUXPFHJYUSO-UHFFFAOYSA-N 0 0 403.463 4.138 50 30 HIEARN COc1cc(/C=N/NC(N)=S)ccc1OCCCOc1ccc(C(C)(C)C)cc1 ZINC000004599528 558835369 /nfs/dbraw/zinc/83/53/69/558835369.db2.gz CLFYFIXGYPKILC-BUVRLJJBSA-N 0 0 415.559 4.008 50 30 HIEARN CC(C)n1c2ccccc2nc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000072313121 558838360 /nfs/dbraw/zinc/83/83/60/558838360.db2.gz HRTQUEJSAXCMLR-HXUWFJFHSA-N 0 0 412.490 4.154 50 30 HIEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1cc(Cl)cc2c1OCOC2 ZINC000013656323 558851313 /nfs/dbraw/zinc/85/13/13/558851313.db2.gz VHGUOBXGEJOKOW-OCKHKDLRSA-N 0 0 413.857 4.124 50 30 HIEARN Cc1cc(C#N)ccc1Oc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000060349579 558860185 /nfs/dbraw/zinc/86/01/85/558860185.db2.gz ZZDCHEKBUPIAHG-UHFFFAOYSA-N 0 0 406.751 4.272 50 30 HIEARN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccco1 ZINC000013727559 558860768 /nfs/dbraw/zinc/86/07/68/558860768.db2.gz XPHXIMRGKKEYTK-IBGZPJMESA-N 0 0 424.840 4.115 50 30 HIEARN CCOC(=O)Oc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C)C2=O)cc1OC ZINC000004679590 558890893 /nfs/dbraw/zinc/89/08/93/558890893.db2.gz GMLJZYFTNNXILS-YISMEOAQSA-N 0 0 412.467 4.464 50 30 HIEARN Cc1cc(C)cc(NC(=S)N=C(NCc2cccnc2)Nc2nc(C)cc(C)n2)c1 ZINC000014157654 558891740 /nfs/dbraw/zinc/89/17/40/558891740.db2.gz DWZRHWNKHDTUMM-UHFFFAOYSA-N 0 0 419.558 4.060 50 30 HIEARN C=CCOc1ccc(Br)cc1C(=O)N=C(N)NC1CCCCCCC1 ZINC000071775209 558911553 /nfs/dbraw/zinc/91/15/53/558911553.db2.gz ITHJPNBNAPQGSD-UHFFFAOYSA-N 0 0 408.340 4.171 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1cccc(OC)c1 ZINC000004700701 558912134 /nfs/dbraw/zinc/91/21/34/558912134.db2.gz RWCSFMJOBUBZGP-COPMAWBXSA-N 0 0 409.511 4.150 50 30 HIEARN CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 ZINC000097949474 558983819 /nfs/dbraw/zinc/98/38/19/558983819.db2.gz KHKNQYWSNVQCHN-UHFFFAOYSA-N 0 0 414.575 4.233 50 30 HIEARN CCCCCCCC1CCC(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OCC)CC1 ZINC000097995710 559011466 /nfs/dbraw/zinc/01/14/66/559011466.db2.gz JFVAUINRNGPAAE-CBNMVNINSA-N 0 0 424.626 4.364 50 30 HIEARN Cn1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c2ccccc21 ZINC000004798171 559066718 /nfs/dbraw/zinc/06/67/18/559066718.db2.gz DIBZDTYDUUHEKG-BUVRLJJBSA-N 0 0 412.501 4.153 50 30 HIEARN FC1(F)C(F)(F)C(F)(F)C(F)(I)C(F)(F)C1(F)F ZINC000095698065 559087971 /nfs/dbraw/zinc/08/79/71/559087971.db2.gz WYRAAMGCHCLHRD-UHFFFAOYSA-N 0 0 407.948 4.277 50 30 HIEARN Brc1ccc(/C=N\c2ccc3c(c2)OCCOCCOCCO3)s1 ZINC000100056824 559119030 /nfs/dbraw/zinc/11/90/30/559119030.db2.gz WZSVWPMZJOAPRZ-UNOMPAQXSA-N 0 0 412.305 4.066 50 30 HIEARN COC(=O)/C=C1\S/C(=N/c2ccc(F)c(Cl)c2)N(Cc2ccccc2F)C1=O ZINC000101661915 559147555 /nfs/dbraw/zinc/14/75/55/559147555.db2.gz YNQJRFSBPWKJGR-RHFGJHFGSA-N 0 0 422.840 4.438 50 30 HIEARN CC(=O)c1cc(C#N)c(SCC(=O)NCc2ccc(F)cc2)nc1-c1ccccc1 ZINC000014120721 559152442 /nfs/dbraw/zinc/15/24/42/559152442.db2.gz KPRTVUSYCNQEMI-UHFFFAOYSA-N 0 0 419.481 4.370 50 30 HIEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2Br)c(OC)c1 ZINC000004934910 559209991 /nfs/dbraw/zinc/20/99/91/559209991.db2.gz YLEYZSYFUWUSNG-BQYQJAHWSA-N 0 0 407.220 4.183 50 30 HIEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccn2)CC1 ZINC000004981074 559223564 /nfs/dbraw/zinc/22/35/64/559223564.db2.gz AZEFVNIGUPLSPC-UHFFFAOYSA-N 0 0 408.509 4.118 50 30 HIEARN CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000004993025 559225280 /nfs/dbraw/zinc/22/52/80/559225280.db2.gz DBDRKGMNPBBFAU-NRFANRHFSA-N 0 0 419.477 4.225 50 30 HIEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(Br)c1 ZINC000005009236 559227764 /nfs/dbraw/zinc/22/77/64/559227764.db2.gz JEYBZXGMGNFPKY-UHFFFAOYSA-N 0 0 400.301 4.084 50 30 HIEARN COC(=O)c1cccc(Cn2c(Cl)c(C=NNc3ccccc3C)sc2=O)c1 ZINC000005051532 559237144 /nfs/dbraw/zinc/23/71/44/559237144.db2.gz DGKHGJPNZXTUPV-SSDVNMTOSA-N 0 0 415.902 4.153 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c3ccccc3[nH]c2c1=O ZINC000005106759 559245947 /nfs/dbraw/zinc/24/59/47/559245947.db2.gz KWEQMEBTFLNJPV-UHFFFAOYSA-N 0 0 418.522 4.411 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c3ccccc3[nH]c2c1=O ZINC000005106762 559245951 /nfs/dbraw/zinc/24/59/51/559245951.db2.gz DOXCAJCAYDCVOV-UHFFFAOYSA-N 0 0 418.522 4.411 50 30 HIEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c(OC)c1OC ZINC000005157852 559265057 /nfs/dbraw/zinc/26/50/57/559265057.db2.gz SWCDDXYYBKLAKZ-WQRHYEAKSA-N 0 0 412.438 4.280 50 30 biogenic HIEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)C2=O ZINC000005164197 559275702 /nfs/dbraw/zinc/27/57/02/559275702.db2.gz BUTMJEHOMIBVAX-MFOYZWKCSA-N 0 0 403.228 4.389 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000013210738 559280641 /nfs/dbraw/zinc/28/06/41/559280641.db2.gz NQLSRHIXCRNCHT-QFIPXVFZSA-N 0 0 416.477 4.433 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000013210734 559280650 /nfs/dbraw/zinc/28/06/50/559280650.db2.gz NQLSRHIXCRNCHT-JOCHJYFZSA-N 0 0 416.477 4.433 50 30 HIEARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O ZINC000005338849 560567026 /nfs/dbraw/zinc/56/70/26/560567026.db2.gz DQJWDHZSTISTCE-UNOMPAQXSA-N 0 0 406.390 4.441 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(OC)cc1 ZINC000005500778 560601099 /nfs/dbraw/zinc/60/10/99/560601099.db2.gz LDDKNEYIVRRRTC-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN CN=C(Nc1cc(Cl)cc(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000005525339 560604880 /nfs/dbraw/zinc/60/48/80/560604880.db2.gz SKHJJRMPSLMBBR-HNNXBMFYSA-N 0 0 408.310 4.266 50 30 HIEARN Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1C ZINC000005546254 560607656 /nfs/dbraw/zinc/60/76/56/560607656.db2.gz IYLBJUCKKPNJMH-DAMKXSJNSA-N 0 0 418.522 4.368 50 30 HIEARN CC(C)c1ccc2c(c1)/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)C(=O)N2 ZINC000006459509 560630709 /nfs/dbraw/zinc/63/07/09/560630709.db2.gz MGVKZQIRSORTPH-UHFFFAOYSA-N 0 0 406.433 4.472 50 30 HIEARN O=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000007141236 560634922 /nfs/dbraw/zinc/63/49/22/560634922.db2.gz CEOAFBWTMIIQGQ-SDNWHVSQSA-N 0 0 414.483 4.056 50 30 HIEARN CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)cc1 ZINC000008209374 560636251 /nfs/dbraw/zinc/63/62/51/560636251.db2.gz AQRPPYGTBPPUKG-UHFFFAOYSA-N 0 0 413.543 4.313 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)c1 ZINC000017251661 560705095 /nfs/dbraw/zinc/70/50/95/560705095.db2.gz JDLOKLRSGOCTMR-HXUWFJFHSA-N 0 0 404.397 4.012 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc2ccsc2c1=O ZINC000229706998 560728783 /nfs/dbraw/zinc/72/87/83/560728783.db2.gz GVNQLVYAUYCRRJ-LXTVHRRPSA-N 0 0 405.589 4.066 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1C ZINC000017921106 560730686 /nfs/dbraw/zinc/73/06/86/560730686.db2.gz NVERUWAYXLGFEX-QFIPXVFZSA-N 0 0 414.461 4.177 50 30 HIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1Br ZINC000005660664 560732802 /nfs/dbraw/zinc/73/28/02/560732802.db2.gz APWGFMAKYBDRHN-UHFFFAOYSA-N 0 0 412.312 4.289 50 30 HIEARN CCOC(=O)COc1c(/C=N\c2ccc(C)cc2)cc(Br)cc1OC ZINC000100916519 560763113 /nfs/dbraw/zinc/76/31/13/560763113.db2.gz NUVHKLTUPBVATC-NHDPSOOVSA-N 0 0 406.276 4.459 50 30 HIEARN COc1ccc(S(=O)(=O)NC2=CC(=Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000018191214 560781830 /nfs/dbraw/zinc/78/18/30/560781830.db2.gz VXABOCGDPOQZQE-NJNXFGOHSA-N 0 0 418.474 4.066 50 30 HIEARN COc1cc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc(OC)c1O ZINC000018197521 560782036 /nfs/dbraw/zinc/78/20/36/560782036.db2.gz GVDVBFWOYUYOKB-OAQYLSRUSA-N 0 0 423.465 4.339 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(O)cc1 ZINC000018195558 560782331 /nfs/dbraw/zinc/78/23/31/560782331.db2.gz JNGQERISJVTOGW-IBGZPJMESA-N 0 0 401.466 4.072 50 30 HIEARN O=c1[nH][nH]c2c1[C@@H](c1ccccc1[N+](=O)[O-])C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196414 560782574 /nfs/dbraw/zinc/78/25/74/560782574.db2.gz ZMBUTDGWRHUHIM-QFYYESIMSA-N 0 0 408.439 4.043 50 30 HIEARN O=c1[nH][nH]c2c1[C@@H](c1cc(Cl)ccc1O)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018196316 560782599 /nfs/dbraw/zinc/78/25/99/560782599.db2.gz MTTDNTDKQWWVOC-ABKXIKBNSA-N 0 0 413.886 4.494 50 30 HIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccc(OC(F)(F)F)cc3)C12 ZINC000018200769 560783127 /nfs/dbraw/zinc/78/31/27/560783127.db2.gz RTODCIKGLYGBPH-KPZWWZAWSA-N 0 0 416.359 4.185 50 30 HIEARN Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccn4)nn32)cc1 ZINC000018198676 560783652 /nfs/dbraw/zinc/78/36/52/560783652.db2.gz WFFHYJFDFRMNHO-FQEVSTJZSA-N 0 0 403.511 4.296 50 30 HIEARN Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(OC(C)C)cc2)no1 ZINC000102374342 560810674 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Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(C#N)c(Cl)c3)o2)cc1 ZINC000014802985 560852038 /nfs/dbraw/zinc/85/20/38/560852038.db2.gz JSEUYADXZOJYLX-UHFFFAOYSA-N 0 0 423.856 4.290 50 30 HIEARN C=CCn1c2ccc(NC(=O)Nc3ccc(Br)c(C)c3)cc2oc1=O ZINC000046010630 568423327 /nfs/dbraw/zinc/42/33/27/568423327.db2.gz YCGLXLGUFXOMEU-UHFFFAOYSA-N 0 0 402.248 4.495 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)cc(C)c2)c1 ZINC000046126258 568428576 /nfs/dbraw/zinc/42/85/76/568428576.db2.gz USRYOGYEJJGFAO-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccccn2)cc1OC ZINC000046126579 568428685 /nfs/dbraw/zinc/42/86/85/568428685.db2.gz GKEQRJYVQJQAAW-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(CC)cc1)NCc1cccnc1 ZINC000046127145 568428811 /nfs/dbraw/zinc/42/88/11/568428811.db2.gz WOEZAJQNEORCAL-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN COc1cc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2cccnc2)cc(OC)c1 ZINC000046128399 568429018 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COc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000012347108 568494677 /nfs/dbraw/zinc/49/46/77/568494677.db2.gz LVXQFWIGKUUWOF-FQEVSTJZSA-N 0 0 417.465 4.267 50 30 HIEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc(F)cc1)sc1c2CCC1 ZINC000002813471 568509183 /nfs/dbraw/zinc/50/91/83/568509183.db2.gz YNOYXGBHRIRSOU-UHFFFAOYSA-N 0 0 400.500 4.247 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OCC)cc1 ZINC000002859001 568510142 /nfs/dbraw/zinc/51/01/42/568510142.db2.gz WQFGFAVGNBKFSU-UHFFFAOYSA-N 0 0 408.527 4.184 50 30 HIEARN CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN1CCOCC1 ZINC000020150031 568590363 /nfs/dbraw/zinc/59/03/63/568590363.db2.gz KTXHEYZXSPJALR-UHFFFAOYSA-N 0 0 405.546 4.144 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000002978308 568607995 /nfs/dbraw/zinc/60/79/95/568607995.db2.gz SUXCUAGMBPKGIH-HXUWFJFHSA-N 0 0 408.458 4.400 50 30 HIEARN C[C@@H]1CN(C(=O)c2cccc(C#N)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC000095454647 568616199 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4.066 50 30 HIEARN Cc1ccc(C(=O)N2CCN(c3oc(-c4ccccc4Cl)nc3C#N)CC2)cc1 ZINC000012418313 568718775 /nfs/dbraw/zinc/71/87/75/568718775.db2.gz DLWNYFGNEXYBHA-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CCN(C(=O)c2cccs2)CC1 ZINC000012418685 568719198 /nfs/dbraw/zinc/71/91/98/568719198.db2.gz GYBKSXWVBUECEW-BQYQJAHWSA-N 0 0 424.913 4.394 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)c(C#N)c1C ZINC000000871314 568726145 /nfs/dbraw/zinc/72/61/45/568726145.db2.gz ZBJHYGHIRRQEJA-UHFFFAOYSA-N 0 0 419.934 4.390 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000000901767 568749358 /nfs/dbraw/zinc/74/93/58/568749358.db2.gz GOIXUJRMCSWTMQ-UHFFFAOYSA-N 0 0 404.373 4.358 50 30 HIEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1[O-] ZINC000000903837 568749631 /nfs/dbraw/zinc/74/96/31/568749631.db2.gz KMDVSDLMXRRNEW-KOEQRZSOSA-N 0 0 416.481 4.373 50 30 HIEARN CSCCc1[nH]c(NC(=O)CSc2nc(C)c(CC(C)C)[nH]2)c(C#N)c1C ZINC000015082110 568749889 /nfs/dbraw/zinc/74/98/89/568749889.db2.gz ZMKHABXJONLWNT-UHFFFAOYSA-N 0 0 405.593 4.061 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C#N)c1C ZINC000000996311 568759807 /nfs/dbraw/zinc/75/98/07/568759807.db2.gz UFMGAPVKGZJGOB-CYBMUJFWSA-N 0 0 419.934 4.470 50 30 HIEARN C#CCOc1c(Br)cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC ZINC000096581714 568762676 /nfs/dbraw/zinc/76/26/76/568762676.db2.gz WDWPSSFAMRTXCN-UHFFFAOYSA-N 0 0 419.300 4.052 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1C ZINC000001010097 568762803 /nfs/dbraw/zinc/76/28/03/568762803.db2.gz QVCGRBDMSATYLE-UWJYYQICSA-N 0 0 403.478 4.243 50 30 HIEARN COc1cc(-c2c(C#N)c(OC)nc3c2CCc2ccccc2-3)cc(OC)c1OC ZINC000001041502 568764481 /nfs/dbraw/zinc/76/44/81/568764481.db2.gz FDUPAZQAEPUGBG-UHFFFAOYSA-N 0 0 402.450 4.420 50 30 HIEARN Cc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000002462831 568772539 /nfs/dbraw/zinc/77/25/39/568772539.db2.gz RMCPIMXCWHFWCW-HNNXBMFYSA-N 0 0 405.401 4.013 50 30 HIEARN C=CCSc1nnc(N2C(=O)C[C@H](c3cccs3)C3=C2CCCC3=O)s1 ZINC000002493527 568776254 /nfs/dbraw/zinc/77/62/54/568776254.db2.gz XJRGJEYFYMSDAI-LLVKDONJSA-N 0 0 403.554 4.405 50 30 HIEARN C[C@H]1CCc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c(C#N)cc2C1 ZINC000215712397 568793246 /nfs/dbraw/zinc/79/32/46/568793246.db2.gz NZLXXKHFOJWCAZ-NSHDSACASA-N 0 0 406.433 4.223 50 30 HIEARN N#Cc1c2c(c(C(F)(F)F)nc1SCn1cc(Br)cn1)CCC2 ZINC000002783932 568808341 /nfs/dbraw/zinc/80/83/41/568808341.db2.gz PKFSBMAWKRKPHI-UHFFFAOYSA-N 0 0 403.227 4.170 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000257355960 568817919 /nfs/dbraw/zinc/81/79/19/568817919.db2.gz DXUKESFRWHAYGS-FDFADTMVSA-N 0 0 416.558 4.391 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1OCC ZINC000002938976 568819005 /nfs/dbraw/zinc/81/90/05/568819005.db2.gz DKDNMSZKJGAYAP-UNOMPAQXSA-N 0 0 412.536 4.447 50 30 HIEARN CCOC(=O)CS/C(=N/N(C)c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000261494975 568820761 /nfs/dbraw/zinc/82/07/61/568820761.db2.gz YZCNCGMQOIBBTA-SSDVNMTOSA-N 0 0 423.766 4.362 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccccc1F ZINC000005829258 568824811 /nfs/dbraw/zinc/82/48/11/568824811.db2.gz XQQXBYHHZLPIAI-HDMKZQKVSA-N 0 0 402.539 4.303 50 30 HIEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000005860825 568826251 /nfs/dbraw/zinc/82/62/51/568826251.db2.gz XXZFGWUPDCWIGV-OAHLLOKOSA-N 0 0 401.919 4.488 50 30 HIEARN Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(F)cc3)C2=O)c1 ZINC000003042829 568848091 /nfs/dbraw/zinc/84/80/91/568848091.db2.gz JNEALLGZTGPVGS-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000003104969 568855169 /nfs/dbraw/zinc/85/51/69/568855169.db2.gz VZQIZBQWSCVFAT-UHFFFAOYSA-N 0 0 412.462 4.347 50 30 HIEARN Cc1cc(C=C2C(=O)CCCC2=O)c(C)n1-c1ccc(I)cc1 ZINC000003175819 568859699 /nfs/dbraw/zinc/85/96/99/568859699.db2.gz NYCGRMXZQJSHRR-UHFFFAOYSA-N 0 0 419.262 4.404 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc4ccccc4n3)sc2C1 ZINC000003258610 568868659 /nfs/dbraw/zinc/86/86/59/568868659.db2.gz AOOWMRMPPUJQOA-CYBMUJFWSA-N 0 0 405.479 4.088 50 30 HIEARN N#Cc1cccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000003264206 568869595 /nfs/dbraw/zinc/86/95/95/568869595.db2.gz WRSYWNGZWDPCOP-UHFFFAOYSA-N 0 0 413.644 4.079 50 30 HIEARN C=CCn1c(SCC(=O)N(C)C2CCCCC2)nc2sc(CC)cc2c1=O ZINC000003268772 568870182 /nfs/dbraw/zinc/87/01/82/568870182.db2.gz CIMXPXPPLLUMPH-UHFFFAOYSA-N 0 0 405.589 4.090 50 30 HIEARN N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000003273558 568870738 /nfs/dbraw/zinc/87/07/38/568870738.db2.gz GXBRFTVKIJIQTI-UHFFFAOYSA-N 0 0 418.836 4.238 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000003333783 568882438 /nfs/dbraw/zinc/88/24/38/568882438.db2.gz QSGPETJUKMLUPK-UHFFFAOYSA-N 0 0 413.890 4.053 50 30 HIEARN C=CCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1C1CCCCC1 ZINC000003420577 568899867 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CCOc1ccccc1[C@H]1CC(=O)N(N(C)C)C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000001429777 568939727 /nfs/dbraw/zinc/93/97/27/568939727.db2.gz KONOUAZLPLFOKH-AZUAARDMSA-N 0 0 404.510 4.279 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(OCC)cc1 ZINC000004119645 568944543 /nfs/dbraw/zinc/94/45/43/568944543.db2.gz XVWGRZDCGXHLBR-RDPSFJRHSA-N 0 0 424.493 4.422 50 30 HIEARN COc1ccc(CC(=O)Nc2cccc(C#Cc3cccs3)c2)c(OC)c1OC ZINC000012767145 568948881 /nfs/dbraw/zinc/94/88/81/568948881.db2.gz CTTRIKLAFOGYII-UHFFFAOYSA-N 0 0 407.491 4.355 50 30 HIEARN COc1cccc(-c2nc3n(n2)[C@H](c2cccnc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000004189679 568950201 /nfs/dbraw/zinc/95/02/01/568950201.db2.gz RXBYKPMPKAEVHN-HXUWFJFHSA-N 0 0 401.470 4.007 50 30 HIEARN COc1cccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2C(=O)CC(C)(C)CC2=N3)c1 ZINC000004189678 568950277 /nfs/dbraw/zinc/95/02/77/568950277.db2.gz RXBYKPMPKAEVHN-FQEVSTJZSA-N 0 0 401.470 4.007 50 30 HIEARN Cc1cc(SCCN2C(=O)c3ccccc3C2=O)n2c3ccccc3nc2c1C#N ZINC000004269842 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HIEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S ZINC000015012492 569004123 /nfs/dbraw/zinc/00/41/23/569004123.db2.gz ZJDKQNDWXJSXRV-ZHZULCJRSA-N 0 0 421.566 4.204 50 30 HIEARN C=CCc1cc(C=O)cc(OC)c1OCc1ccc(I)cc1 ZINC000000682041 569005963 /nfs/dbraw/zinc/00/59/63/569005963.db2.gz FELJZQQFZYPODD-UHFFFAOYSA-N 0 0 408.235 4.420 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1cccc(C)c1 ZINC000001077042 569006245 /nfs/dbraw/zinc/00/62/45/569006245.db2.gz NYHNIFIUSZYDGA-UHFFFAOYSA-N 0 0 409.511 4.432 50 30 HIEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(OC)cc1 ZINC000001159638 569006460 /nfs/dbraw/zinc/00/64/60/569006460.db2.gz KBDCKSLMMDSCRS-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000002452928 569007322 /nfs/dbraw/zinc/00/73/22/569007322.db2.gz ZELBVSPCXHXION-UHFFFAOYSA-N 0 0 414.918 4.427 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(OC)cc1 ZINC000002450760 569007382 /nfs/dbraw/zinc/00/73/82/569007382.db2.gz MBHCFVNWEPOTIV-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCN(C)C3 ZINC000019708323 569018363 /nfs/dbraw/zinc/01/83/63/569018363.db2.gz SYOMAHSFWGOEFN-UHFFFAOYSA-N 0 0 411.596 4.357 50 30 HIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3noc4ccccc34)c2)c1 ZINC000012924625 569023576 /nfs/dbraw/zinc/02/35/76/569023576.db2.gz URIPZPUHQWJMRJ-UHFFFAOYSA-N 0 0 410.429 4.195 50 30 HIEARN CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccc(Cl)s1 ZINC000016086099 569028616 /nfs/dbraw/zinc/02/86/16/569028616.db2.gz XYQAFFJHUKGKHF-UHFFFAOYSA-N 0 0 422.709 4.202 50 30 HIEARN COC(=O)C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)OC ZINC000016189595 569029803 /nfs/dbraw/zinc/02/98/03/569029803.db2.gz LIGQBWZQGJAEQK-UHFFFAOYSA-N 0 0 418.474 4.094 50 30 HIEARN C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012983375 569047596 /nfs/dbraw/zinc/04/75/96/569047596.db2.gz OROPTHPNCRPOAW-HNNXBMFYSA-N 0 0 423.538 4.421 50 30 HIEARN COc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cc1 ZINC000064473901 569063602 /nfs/dbraw/zinc/06/36/02/569063602.db2.gz ROQIGIFOPODKDK-UHFFFAOYSA-N 0 0 400.482 4.279 50 30 HIEARN COc1ccc2c(c1)ncc(C#N)c2N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064473638 569063797 /nfs/dbraw/zinc/06/37/97/569063797.db2.gz ITSAKRJZCKIUFN-UHFFFAOYSA-N 0 0 404.445 4.109 50 30 HIEARN COc1ccc(-n2c3ccccc3nc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000006566934 569066251 /nfs/dbraw/zinc/06/62/51/569066251.db2.gz DAXFEODWNMNWLK-JOCHJYFZSA-N 0 0 408.527 4.181 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000004702218 569071413 /nfs/dbraw/zinc/07/14/13/569071413.db2.gz PGIJCAXZAWGWNC-NRFANRHFSA-N 0 0 405.473 4.463 50 30 HIEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)ONC(=N)c1ccc(Br)cc1 ZINC000004906765 569071674 /nfs/dbraw/zinc/07/16/74/569071674.db2.gz LDSAMZAANUQCJM-UHFFFAOYSA-N 0 0 411.683 4.124 50 30 HIEARN C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2sc(CC)cc2c1=O ZINC000006619293 569074820 /nfs/dbraw/zinc/07/48/20/569074820.db2.gz VDZSRVOMVGOPIV-UHFFFAOYSA-N 0 0 400.525 4.285 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000006622003 569074932 /nfs/dbraw/zinc/07/49/32/569074932.db2.gz UYZOJXOLJZXZTI-FQEVSTJZSA-N 0 0 404.422 4.083 50 30 HIEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(N(C)C)cc2)nc1 ZINC000006720297 569098149 /nfs/dbraw/zinc/09/81/49/569098149.db2.gz HAOHZOFMORAQNA-QHCPKHFHSA-N 0 0 416.525 4.063 50 30 HIEARN C=CCC(CC=C)(CNC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1)c1ccccc1 ZINC000006745112 569107548 /nfs/dbraw/zinc/10/75/48/569107548.db2.gz FADOXFHWMJNMGR-UHFFFAOYSA-N 0 0 420.509 4.008 50 30 HIEARN CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCC ZINC000064857966 569108952 /nfs/dbraw/zinc/10/89/52/569108952.db2.gz HKPRCFLRPPLNEN-XKRYCQBQSA-N 0 0 409.611 4.307 50 30 in-vitro HIEARN CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000006783496 569120726 /nfs/dbraw/zinc/12/07/26/569120726.db2.gz DGVNAEFBPBECDD-NRFANRHFSA-N 0 0 418.449 4.242 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006784129 569121399 /nfs/dbraw/zinc/12/13/99/569121399.db2.gz SNLJQIFKDLDHJB-NRFANRHFSA-N 0 0 418.449 4.160 50 30 HIEARN C=CCNC(=O)[C@@H](C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1CC=C ZINC000007119788 569221819 /nfs/dbraw/zinc/22/18/19/569221819.db2.gz KMBFNVSWRPOAML-CQSZACIVSA-N 0 0 411.552 4.094 50 30 HIEARN Cc1cc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c(C)n1-c1ccc(C#N)cc1 ZINC000170623567 569249776 /nfs/dbraw/zinc/24/97/76/569249776.db2.gz HAMMMIBUEHMRNE-QFIPXVFZSA-N 0 0 401.514 4.293 50 30 HIEARN N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000010219069 569253783 /nfs/dbraw/zinc/25/37/83/569253783.db2.gz RIKSOWOWRGEESR-UHFFFAOYSA-N 0 0 422.959 4.345 50 30 HIEARN CCCC(C#N)(CCC)NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000089949499 569269791 /nfs/dbraw/zinc/26/97/91/569269791.db2.gz RMCPDIITGOZJHH-UHFFFAOYSA-N 0 0 423.760 4.252 50 30 HIEARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000017244389 569276713 /nfs/dbraw/zinc/27/67/13/569276713.db2.gz BVMWXOOEDAFBND-GASCZTMLSA-N 0 0 420.506 4.137 50 30 HIEARN CCc1c(C)sc(NC(=O)[C@@]2(C)CC2(Br)Br)c1C#N ZINC000002103111 569281232 /nfs/dbraw/zinc/28/12/32/569281232.db2.gz BIMPSLGNWGEOPZ-GFCCVEGCSA-N 0 0 406.143 4.325 50 30 HIEARN COc1cc2c(cc1O)CCN(/C=C/C(=O)c1ccc(Br)cc1)[C@@H]2C ZINC000002115321 569284606 /nfs/dbraw/zinc/28/46/06/569284606.db2.gz BWSRBKWNZOVOET-AORWBKJGSA-N 0 0 402.288 4.479 50 30 biogenic HIEARN C[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002193881 569293914 /nfs/dbraw/zinc/29/39/14/569293914.db2.gz MVEYBBWMMSBPHV-AKGMTCMXSA-N 0 0 420.307 4.442 50 30 HIEARN C=CCN=c1scc(-c2ccc(C)cc2)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000252588850 569294859 /nfs/dbraw/zinc/29/48/59/569294859.db2.gz AFAORUNRZBGTDL-UHFFFAOYSA-N 0 0 416.550 4.399 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3cc4c(cc3C)OCO4)C(=O)N2C)cc1 ZINC000252595254 569296467 /nfs/dbraw/zinc/29/64/67/569296467.db2.gz BYUKZEBTNXCZTL-KHUUNVOJSA-N 0 0 424.478 4.134 50 30 HIEARN Cc1cc(=O)oc2cc(OCC(=NO)c3ccc(Br)cc3)cc(C)c12 ZINC000252603174 569297255 /nfs/dbraw/zinc/29/72/55/569297255.db2.gz FOJUBMORZOCUJH-UHFFFAOYSA-N 0 0 402.244 4.430 50 30 HIEARN CC(=NN1C(=N)S[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O)c1ccc(F)cc1 ZINC000252605852 569297480 /nfs/dbraw/zinc/29/74/80/569297480.db2.gz GNLWYCZSJMKWES-MRXNPFEDSA-N 0 0 418.881 4.111 50 30 HIEARN COC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C#N)c1C ZINC000002218573 569299923 /nfs/dbraw/zinc/29/99/23/569299923.db2.gz JCIUNYKFCYFFQV-UHFFFAOYSA-N 0 0 411.395 4.135 50 30 HIEARN COc1cccc(N=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 ZINC000252615345 569301247 /nfs/dbraw/zinc/30/12/47/569301247.db2.gz JRJATFYZQBYWJF-UHFFFAOYSA-N 0 0 421.365 4.481 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1cccc(C(C)=O)c1 ZINC000252617317 569301448 /nfs/dbraw/zinc/30/14/48/569301448.db2.gz KQIILKGENGBZTL-FQEVSTJZSA-N 0 0 423.538 4.486 50 30 HIEARN CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O ZINC000002266092 569325729 /nfs/dbraw/zinc/32/57/29/569325729.db2.gz LLAKWYGOLUQRPF-WTLZDUFCSA-N 0 0 411.527 4.256 50 30 HIEARN C=CCOc1ccc(/C=N/n2cnc3c4cc(Br)ccc4[nH]c3c2=O)cc1 ZINC000002274018 569327607 /nfs/dbraw/zinc/32/76/07/569327607.db2.gz YTINQDLYUJJSDO-FOKLQQMPSA-N 0 0 423.270 4.087 50 30 HIEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000048547081 569358717 /nfs/dbraw/zinc/35/87/17/569358717.db2.gz OREFKOOOKDLHJU-CDTLTISKSA-N 0 0 416.558 4.234 50 30 HIEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2nccs2)n1 ZINC000002343825 569376475 /nfs/dbraw/zinc/37/64/75/569376475.db2.gz YZULTONGEKDECH-UHFFFAOYSA-N 0 0 400.451 4.457 50 30 HIEARN CCc1nn(-c2cc(Oc3cccc4ccccc43)nc(SC)n2)c(N)c1C#N ZINC000000632647 569383849 /nfs/dbraw/zinc/38/38/49/569383849.db2.gz ILGGBFXHVJGTOE-UHFFFAOYSA-N 0 0 402.483 4.346 50 30 HIEARN CC[C@H](C)NC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002368850 569388454 /nfs/dbraw/zinc/38/84/54/569388454.db2.gz MBENMSCSPAWAKL-XIXVAHAYSA-N 0 0 420.904 4.231 50 30 HIEARN N#Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000008745467 569390096 /nfs/dbraw/zinc/39/00/96/569390096.db2.gz BUZBGMNHGFCOCZ-HXUWFJFHSA-N 0 0 414.490 4.081 50 30 HIEARN O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccs3)c2ncn1-c1ccccc1 ZINC000002401256 569395522 /nfs/dbraw/zinc/39/55/22/569395522.db2.gz XTFQKINDGNDQDR-DHRITJCHSA-N 0 0 422.473 4.227 50 30 HIEARN Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)c1 ZINC000002404009 569395908 /nfs/dbraw/zinc/39/59/08/569395908.db2.gz LRHMPSQMHKOTHB-UTKZUKDTSA-N 0 0 420.538 4.213 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)c4cccs4)ccc3C2=O)cc1 ZINC000012662838 569402738 /nfs/dbraw/zinc/40/27/38/569402738.db2.gz LRLZYGINRNOTCS-WQRHYEAKSA-N 0 0 406.415 4.370 50 30 HIEARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000018917952 569414101 /nfs/dbraw/zinc/41/41/01/569414101.db2.gz NJHUEUNJBIQNPN-CMDGGOBGSA-N 0 0 421.884 4.429 50 30 HIEARN Cc1cccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1 ZINC000019805296 569430381 /nfs/dbraw/zinc/43/03/81/569430381.db2.gz RWFIDRFAOBONIX-UHFFFAOYSA-N 0 0 405.508 4.175 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3)ccc2O1 ZINC000009243342 571240894 /nfs/dbraw/zinc/24/08/94/571240894.db2.gz XSFLCXHKGRARPM-YJYMSZOUSA-N 0 0 418.474 4.249 50 30 HIEARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CSc2ccc3ccccc3n2)c1C#N ZINC000009417606 571256321 /nfs/dbraw/zinc/25/63/21/571256321.db2.gz GXYJIKNPFLPRTO-SFHVURJKSA-N 0 0 420.538 4.435 50 30 HIEARN CCn1cc(/C=C2/Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c2ccccc21 ZINC000009420911 571256967 /nfs/dbraw/zinc/25/69/67/571256967.db2.gz RPAAOJPCQSQZSS-LPYMAVHISA-N 0 0 418.449 4.108 50 30 HIEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCC(=O)OC(C)C)ccc3C1=O)cn2C ZINC000009422121 571257345 /nfs/dbraw/zinc/25/73/45/571257345.db2.gz IULWZIPXBFHABD-LSFURLLWSA-N 0 0 421.449 4.134 50 30 HIEARN C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009426405 571257818 /nfs/dbraw/zinc/25/78/18/571257818.db2.gz BVDBVAWZZWZEFJ-UHFFFAOYSA-N 0 0 424.309 4.420 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000009432047 571258458 /nfs/dbraw/zinc/25/84/58/571258458.db2.gz AEYGVHLAXGJCJP-IBGZPJMESA-N 0 0 422.368 4.105 50 30 HIEARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000009498751 571263233 /nfs/dbraw/zinc/26/32/33/571263233.db2.gz BZTXGTURPHIUPO-VWLOTQADSA-N 0 0 413.477 4.176 50 30 HIEARN Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000009631791 571274787 /nfs/dbraw/zinc/27/47/87/571274787.db2.gz WFBAJUNXLSIHPJ-UHFFFAOYSA-N 0 0 418.309 4.391 50 30 HIEARN COc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3cc(C)cc(C)c3)o2)cc1 ZINC000009632633 571274861 /nfs/dbraw/zinc/27/48/61/571274861.db2.gz XYBJOSKBAPZUMI-UHFFFAOYSA-N 0 0 422.510 4.401 50 30 HIEARN N#Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc2c1CCC2 ZINC000009714744 571281636 /nfs/dbraw/zinc/28/16/36/571281636.db2.gz WIIVBFIMXLXRII-UHFFFAOYSA-N 0 0 423.519 4.162 50 30 HIEARN CC(=O)C1=C(c2cccs2)N(C(C)=O)n2c(nnc2-c2ccc(Cl)cc2)S1 ZINC000009737559 571283030 /nfs/dbraw/zinc/28/30/30/571283030.db2.gz HTDRLGIKCSGCQZ-UHFFFAOYSA-N 0 0 416.915 4.208 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc3ccccc3n2C)c1C#N ZINC000009834433 571287673 /nfs/dbraw/zinc/28/76/73/571287673.db2.gz URSOMOOITSISEX-UHFFFAOYSA-N 0 0 419.510 4.235 50 30 HIEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)Cc3ccc(Cl)s3)sc2C1 ZINC000010061035 571294568 /nfs/dbraw/zinc/29/45/68/571294568.db2.gz OMEFEPMEJFNXRT-UHFFFAOYSA-N 0 0 409.920 4.030 50 30 HIEARN Cn1c(C(C#N)=C(NS(=O)(=O)c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000005072489 845080294 /nfs/dbraw/zinc/08/02/94/845080294.db2.gz WLMYIFJNAZFHOH-KYVIQDPYSA-N 0 0 414.490 4.059 50 30 HIEARN Cc1ccc(S(=O)(=O)N=C(NCCc2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000005445503 845114326 /nfs/dbraw/zinc/11/43/26/845114326.db2.gz VODRAUPVROOPIP-UHFFFAOYSA-N 0 0 417.534 4.444 50 30 HIEARN COc1ccc(/C=C\C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000006008801 845159740 /nfs/dbraw/zinc/15/97/40/845159740.db2.gz IXPABNTYTZXIRF-FLIBITNWSA-N 0 0 408.508 4.363 50 30 HIEARN COc1cc(/C=C\C(=O)OCc2csc(-c3ccccc3)n2)ccc1OCC#N ZINC000006008541 845159996 /nfs/dbraw/zinc/15/99/96/845159996.db2.gz UFPRYLPMHBPJED-NTMALXAHSA-N 0 0 406.463 4.478 50 30 HIEARN O=C(/C=C/c1cccnc1)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 ZINC000007621528 845374957 /nfs/dbraw/zinc/37/49/57/845374957.db2.gz DBYSPKGCDKGCOR-KPKJPENVSA-N 0 0 412.898 4.110 50 30 HIEARN C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012111890 845854943 /nfs/dbraw/zinc/85/49/43/845854943.db2.gz BRLUHMBELPBVAK-CYBMUJFWSA-N 0 0 408.857 4.048 50 30 HIEARN CCOc1ccc(S(=O)(=O)NN=C2C[C@H](c3ccccc3)Oc3ccccc32)cc1 ZINC000012564087 845876313 /nfs/dbraw/zinc/87/63/13/845876313.db2.gz TVQDTDRDHPFHTJ-HSZRJFAPSA-N 0 0 422.506 4.292 50 30 aggregator HIEARN O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000033405670 848134628 /nfs/dbraw/zinc/13/46/28/848134628.db2.gz XLDMTWDTJOBSPO-DJWKRKHSSA-N 0 0 421.434 4.203 50 30 HIEARN Cc1cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(C)n1Cc1ccco1 ZINC000096447559 852548339 /nfs/dbraw/zinc/54/83/39/852548339.db2.gz GWJMSIFFJHUEMI-LPADLIQXSA-N 0 0 417.465 4.202 50 30 HIEARN N#Cc1c2c(sc1NC(=O)COC(=O)/C=C\c1nc3ccccc3s1)CCCC2 ZINC000096506486 852549638 /nfs/dbraw/zinc/54/96/38/852549638.db2.gz WBVOJJKEBYMLCQ-KTKRTIGZSA-N 0 0 423.519 4.303 50 30 HIEARN CCOc1c(Br)cc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000096766791 852555293 /nfs/dbraw/zinc/55/52/93/852555293.db2.gz DICKOQCVAHPKKI-XQRVVYSFSA-N 0 0 405.244 4.481 50 30 HIEARN CNc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2Cl)cc1[N+](=O)[O-] ZINC000098059452 852652070 /nfs/dbraw/zinc/65/20/70/852652070.db2.gz NVJDURRZQIDXPM-CLTKARDFSA-N 0 0 401.850 4.023 50 30 HIEARN Cn1c(C(C#N)=C(NS(=O)(=O)c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000103885194 852668385 /nfs/dbraw/zinc/66/83/85/852668385.db2.gz WLMYIFJNAZFHOH-HMWBEYIWSA-N 0 0 414.490 4.059 50 30 HIEARN C(=Nn1c(-c2ccc3c(c2)OCCO3)csc1=NC1CCCCC1)c1cccnc1 ZINC000254390969 854210565 /nfs/dbraw/zinc/21/05/65/854210565.db2.gz ZFVJXUWEKBVRHD-UHFFFAOYSA-N 0 0 420.538 4.498 50 30 HIEARN O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1c(Cl)nc2ccccn12 ZINC000254379247 854210570 /nfs/dbraw/zinc/21/05/70/854210570.db2.gz DRLMLGIUXQVARF-UHFFFAOYSA-N 0 0 405.870 4.308 50 30 HIEARN COc1cc(OC)c(OC)cc1C=NNC(=S)Nc1ccccc1C(F)(F)F ZINC000254440967 854211259 /nfs/dbraw/zinc/21/12/59/854211259.db2.gz BSVLTDATNLDZKG-UHFFFAOYSA-N 0 0 413.421 4.052 50 30 HIEARN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=S)Nc1ccccc1F ZINC000254742846 854213944 /nfs/dbraw/zinc/21/39/44/854213944.db2.gz XVMDUCPLYPUKEG-UHFFFAOYSA-N 0 0 422.533 4.241 50 30 aggregator HIEARN Cc1c(Cl)cccc1NC(=S)NN=C/C=C\c1cn(Cc2ccccc2)nn1 ZINC000254791257 854214015 /nfs/dbraw/zinc/21/40/15/854214015.db2.gz DBCFVVWDOLOCJL-QNDRJEQWSA-N 0 0 410.934 4.274 50 30 HIEARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=CC(Cl)=Cc2ccccc2)C1=O ZINC000254758819 854214461 /nfs/dbraw/zinc/21/44/61/854214461.db2.gz LXLHQYKWGXSXTH-HHPTWHORSA-N 0 0 419.815 4.321 50 30 HIEARN CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C2CCCCC2)cc1 ZINC000254812524 854214989 /nfs/dbraw/zinc/21/49/89/854214989.db2.gz JNBBVTHOMXLZML-UHFFFAOYSA-N 0 0 416.503 4.126 50 30 HIEARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2cccc(C#N)c2)cc1 ZINC000006742760 132314419 /nfs/dbraw/zinc/31/44/19/132314419.db2.gz OINSQNUOORYWJC-VWLOTQADSA-N 0 0 414.461 4.263 50 30 HIEARN C#CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)c2cccc(C)c21 ZINC000032103287 518266134 /nfs/dbraw/zinc/26/61/34/518266134.db2.gz MAOYIVCQNIDFTL-HSZRJFAPSA-N 0 0 416.868 4.092 50 30 HIEARN C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2cccc(C)c21 ZINC000032104630 518266610 /nfs/dbraw/zinc/26/66/10/518266610.db2.gz YJEJVHXVKPWQHT-QHCPKHFHSA-N 0 0 416.868 4.092 50 30 HIEARN C#CCN1c2ccc(C)cc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)C1=O ZINC000032103216 518272157 /nfs/dbraw/zinc/27/21/57/518272157.db2.gz OLYQMLNBYKLZDH-HSZRJFAPSA-N 0 0 416.868 4.092 50 30 HIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1OCC ZINC000065331215 518329115 /nfs/dbraw/zinc/32/91/15/518329115.db2.gz PJNKFMKWRCZOKW-GOSISDBHSA-N 0 0 421.884 4.411 50 30 HIEARN C=C(C)CN(CC)C(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000040144842 518593704 /nfs/dbraw/zinc/59/37/04/518593704.db2.gz NKCRKCRFVQQIJJ-UHFFFAOYSA-N 0 0 405.292 4.262 50 30 HIEARN C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1)C(C)=O ZINC000036051462 518758883 /nfs/dbraw/zinc/75/88/83/518758883.db2.gz AHRMJHWRVOSXRJ-UHFFFAOYSA-N 0 0 422.916 4.474 50 30 HIEARN C=CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)c2ccccc21 ZINC000020739516 518848630 /nfs/dbraw/zinc/84/86/30/518848630.db2.gz LNZLVCZUWAPMAO-JOCHJYFZSA-N 0 0 404.857 4.336 50 30 HIEARN C=CCN1c2ccc(C(=O)NC(C(C)C)C(C)C)cc2-c2ccccc2S1(=O)=O ZINC000033271914 518874384 /nfs/dbraw/zinc/87/43/84/518874384.db2.gz RYJDFINJHNPNCG-UHFFFAOYSA-N 0 0 412.555 4.459 50 30 HIEARN C=CCN1c2ccc(C(=O)Nc3cccc(OC)c3)cc2-c2ccccc2S1(=O)=O ZINC000033271895 518875423 /nfs/dbraw/zinc/87/54/23/518875423.db2.gz AOIMDKIKXUNINY-UHFFFAOYSA-N 0 0 420.490 4.309 50 30 HIEARN C=CCNC(=O)c1ccccc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C ZINC000032955552 518942730 /nfs/dbraw/zinc/94/27/30/518942730.db2.gz FPNWHWIZAOUCRX-UHFFFAOYSA-N 0 0 409.486 4.350 50 30 HIEARN C=CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2ncnn21 ZINC000016400719 519074448 /nfs/dbraw/zinc/07/44/48/519074448.db2.gz ZEMHNXBBXXMGQV-FQEVSTJZSA-N 0 0 421.888 4.424 50 30 HIEARN C=CCc1cc(/C=C2/NC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000000664678 519124102 /nfs/dbraw/zinc/12/41/02/519124102.db2.gz ROWGLWHBMQRYEE-XSFVSMFZSA-N 0 0 404.466 4.081 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(OC)c1 ZINC000021352193 519135608 /nfs/dbraw/zinc/13/56/08/519135608.db2.gz CHIAUGAIRHIMMZ-UHFFFAOYSA-N 0 0 424.478 4.293 50 30 HIEARN C=CCc1ccccc1OCCSc1nc(-c2cccc(F)c2)nc2cc(=O)[nH]n21 ZINC000009641003 519144454 /nfs/dbraw/zinc/14/44/54/519144454.db2.gz UROXNJQNUIFXIT-UHFFFAOYSA-N 0 0 422.485 4.123 50 30 HIEARN C=CCc1ccccc1OC[C@@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000032854239 519146212 /nfs/dbraw/zinc/14/62/12/519146212.db2.gz MKHLNBLXLODQQB-IBGZPJMESA-N 0 0 418.518 4.293 50 30 HIEARN C=CCc1ccccc1OC[C@H](O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000032854238 519147225 /nfs/dbraw/zinc/14/72/25/519147225.db2.gz MKHLNBLXLODQQB-LJQANCHMSA-N 0 0 418.518 4.293 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cccc(F)c1 ZINC000032579534 519215456 /nfs/dbraw/zinc/21/54/56/519215456.db2.gz VMKNWRUARANEIQ-UHFFFAOYSA-N 0 0 400.454 4.449 50 30 HIEARN C=CCn1c(S[C@@H](C)c2nc(CCC)no2)nnc1[C@@H]1COc2ccccc2O1 ZINC000012979056 519252932 /nfs/dbraw/zinc/25/29/32/519252932.db2.gz ZGBQEXBAFIRURG-BBRMVZONSA-N 0 0 413.503 4.165 50 30 HIEARN CCCCCCCCCn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O ZINC000097992792 520031709 /nfs/dbraw/zinc/03/17/09/520031709.db2.gz KKMGNQYGUCFKFQ-UHFFFAOYSA-N 0 0 408.502 4.359 50 30 HIEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 ZINC000097944120 520066090 /nfs/dbraw/zinc/06/60/90/520066090.db2.gz NONMQNHUDCSIAK-UHFFFAOYSA-N 0 0 414.575 4.119 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(OC)cc2O)C1=O ZINC000036257781 520533117 /nfs/dbraw/zinc/53/31/17/520533117.db2.gz AFVWRQUSLKGJOJ-LICLKQGHSA-N 0 0 415.442 4.084 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2OC)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036258071 520541547 /nfs/dbraw/zinc/54/15/47/520541547.db2.gz YKOZNKUQQARVCL-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)ccc1OC(F)F ZINC000007712985 520618117 /nfs/dbraw/zinc/61/81/17/520618117.db2.gz BYXOLXBGQVVBJE-VZUCSPMQSA-N 0 0 419.424 4.050 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(Br)c2)cc1 ZINC000033743645 520789902 /nfs/dbraw/zinc/78/99/02/520789902.db2.gz AOMIRFKOCBGDCC-JYRVWZFOSA-N 0 0 422.344 4.376 50 30 HIEARN CCOC(=O)N1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000032904286 520930141 /nfs/dbraw/zinc/93/01/41/520930141.db2.gz NLTQABZUDVEGAF-UHFFFAOYSA-N 0 0 409.511 4.060 50 30 HIEARN CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100973899 521512926 /nfs/dbraw/zinc/51/29/26/521512926.db2.gz ZPSXKGFETCHTHW-QZOVRRJPSA-N 0 0 424.906 4.160 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2ccccc2OC)c(C)n1 ZINC000032972960 521650717 /nfs/dbraw/zinc/65/07/17/521650717.db2.gz CHCFKZAMDOIUGH-UHFFFAOYSA-N 0 0 419.529 4.317 50 30 HIEARN CCSc1nncn1/N=C/c1ccc(COc2ccc(Br)cc2)o1 ZINC000020617969 521799202 /nfs/dbraw/zinc/79/92/02/521799202.db2.gz BGSSCCCHLPPTPP-DJKKODMXSA-N 0 0 407.293 4.207 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1ccccc1C)NCc1c(C)nn(C)c1C ZINC000032972677 521849982 /nfs/dbraw/zinc/84/99/82/521849982.db2.gz XGHZYDUJSGBAQW-UHFFFAOYSA-N 0 0 403.530 4.306 50 30 HIEARN COc1cc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)ccc1OCC#N ZINC000006790784 521931327 /nfs/dbraw/zinc/93/13/27/521931327.db2.gz CVQNEAPMBLZMQL-XBXARRHUSA-N 0 0 401.260 4.320 50 30 HIEARN COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018128579 521990322 /nfs/dbraw/zinc/99/03/22/521990322.db2.gz HHRMCJLQDAIBOC-HZHRSRAPSA-N 0 0 405.479 4.235 50 30 HIEARN COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3cccnc3)cc2OC)cc1 ZINC000033472178 522046337 /nfs/dbraw/zinc/04/63/37/522046337.db2.gz UEZPTNYPFACBTH-XFFZJAGNSA-N 0 0 403.434 4.352 50 30 HIEARN CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 ZINC000020573512 522068580 /nfs/dbraw/zinc/06/85/80/522068580.db2.gz OLZJHYLHYYAMEX-UZLBHIALSA-N 0 0 422.506 4.222 50 30 HIEARN CNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(Br)cc1F ZINC000028048769 522546879 /nfs/dbraw/zinc/54/68/79/522546879.db2.gz MZGDEHJRSDYIKV-UHFFFAOYSA-N 0 0 406.211 4.394 50 30 HIEARN COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(=O)C32)c1 ZINC000040267430 522879789 /nfs/dbraw/zinc/87/97/89/522879789.db2.gz RPLPAYNXLYNSPB-QKKBWIMNSA-N 0 0 418.453 4.066 50 30 HIEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000001059982 522893755 /nfs/dbraw/zinc/89/37/55/522893755.db2.gz PWOJAVYKEGYTRP-HXUWFJFHSA-N 0 0 420.484 4.416 50 30 HIEARN COc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c([N+](=O)[O-])c1 ZINC000001145315 523314326 /nfs/dbraw/zinc/31/43/26/523314326.db2.gz KROOMPMCDLVULK-UHFFFAOYSA-N 0 0 402.406 4.474 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(F)c2)Nc2ccccc2C)c1C ZINC000032973171 523634814 /nfs/dbraw/zinc/63/48/14/523634814.db2.gz TYQZGGWWDSAIOL-UHFFFAOYSA-N 0 0 421.520 4.408 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(F)cc2)Nc2cccc(OC)c2)c1C ZINC000032972067 523638893 /nfs/dbraw/zinc/63/88/93/523638893.db2.gz QTYOFNRNSOXFDG-UHFFFAOYSA-N 0 0 423.492 4.066 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006786210 523796525 /nfs/dbraw/zinc/79/65/25/523796525.db2.gz STQBMBIEDYWLLZ-QGZVFWFLSA-N 0 0 406.265 4.218 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCOC)cc1 ZINC000009067671 524052642 /nfs/dbraw/zinc/05/26/42/524052642.db2.gz PPLIYUNJFHVJSW-QFIPXVFZSA-N 0 0 423.509 4.181 50 30 HIEARN COc1ccccc1Nc1nnc(SCC(=O)[C@H](C#N)c2nc(C)cs2)s1 ZINC000025930218 524652670 /nfs/dbraw/zinc/65/26/70/524652670.db2.gz GQDRJECVUVSFKP-NSHDSACASA-N 0 0 417.541 4.024 50 30 HIEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(F)cc3)S2)cc1Cl ZINC000100263807 525218320 /nfs/dbraw/zinc/21/83/20/525218320.db2.gz DORWPSXQVJJCFH-IHIJCHFRSA-N 0 0 405.882 4.378 50 30 HIEARN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)s2)cc1 ZINC000006912461 525328928 /nfs/dbraw/zinc/32/89/28/525328928.db2.gz GOWWTQJSIQNYAP-AWEZNQCLSA-N 0 0 401.561 4.413 50 30 HIEARN COc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027532878 525384735 /nfs/dbraw/zinc/38/47/35/525384735.db2.gz UURPPMWQDANQOD-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)c1 ZINC000032501360 525767618 /nfs/dbraw/zinc/76/76/18/525767618.db2.gz OKLPLJIKGMEQAL-YVNNLAQVSA-N 0 0 414.461 4.367 50 30 HIEARN COc1cccc(Cn2cc(/C=N\NS(=O)(=O)c3ccccc3)c3ccccc32)c1 ZINC000032577589 526109890 /nfs/dbraw/zinc/10/98/90/526109890.db2.gz BGGNHJCEOJLNHD-IWIPYMOSSA-N 0 0 419.506 4.011 50 30 HIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 ZINC000032760135 526277358 /nfs/dbraw/zinc/27/73/58/526277358.db2.gz DKPUKCLZGSXMDL-UHFFFAOYSA-N 0 0 407.543 4.341 50 30 HIEARN N#CCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)cc2)CC1 ZINC000023318870 526459055 /nfs/dbraw/zinc/45/90/55/526459055.db2.gz GRVUBVDSIWKVAL-UHFFFAOYSA-N 0 0 419.916 4.069 50 30 HIEARN Cc1occc1-c1nnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)n1C ZINC000021125594 526797414 /nfs/dbraw/zinc/79/74/14/526797414.db2.gz VYYNLCOCOZLFOG-UNOMPAQXSA-N 0 0 408.527 4.356 50 30 HIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccc(OC(F)(F)F)cc3)C12 ZINC000018200771 527024194 /nfs/dbraw/zinc/02/41/94/527024194.db2.gz RTODCIKGLYGBPH-SGTLLEGYSA-N 0 0 416.359 4.185 50 30 HIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000018200414 527024452 /nfs/dbraw/zinc/02/44/52/527024452.db2.gz PMAHBORQZVEAIB-KPZWWZAWSA-N 0 0 400.360 4.306 50 30 HIEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)c1ccccc1-c1ccccc1 ZINC000034888560 527370540 /nfs/dbraw/zinc/37/05/40/527370540.db2.gz BVSCCOPLRHBSQJ-UHFFFAOYSA-N 0 0 419.506 4.077 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(Cl)c1)Nc1ccccc1 ZINC000032973487 527622708 /nfs/dbraw/zinc/62/27/08/527622708.db2.gz ZAIOXTQGDIVNNW-UHFFFAOYSA-N 0 0 409.921 4.131 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1F)Nc1ccc(C)cc1C ZINC000032972418 527628952 /nfs/dbraw/zinc/62/89/52/527628952.db2.gz VDUKBJDLYITLAT-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN CCCCCC(=O)N1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)CC1 ZINC000035744771 534960758 /nfs/dbraw/zinc/96/07/58/534960758.db2.gz AIONGCBLAWQJMN-UHFFFAOYSA-N 0 0 419.529 4.431 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000000781158 557078787 /nfs/dbraw/zinc/07/87/87/557078787.db2.gz QGJZULCMKPJIBW-QKKBWIMNSA-N 0 0 423.490 4.011 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001058388 557162517 /nfs/dbraw/zinc/16/25/17/557162517.db2.gz ZBZFBHAQOYYOLJ-LFVJCYFKSA-N 0 0 416.506 4.160 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000002057110 557303261 /nfs/dbraw/zinc/30/32/61/557303261.db2.gz JBXKWUXIXIYJOS-SFHVURJKSA-N 0 0 410.297 4.151 50 30 HIEARN Cc1ccc(C(=O)C2=C(N)OC3=C(C(=O)CCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002152330 557319951 /nfs/dbraw/zinc/31/99/51/557319951.db2.gz HOLJUVPQAJBKMU-LJQANCHMSA-N 0 0 404.422 4.077 50 30 HIEARN COc1ccc(C(=O)Oc2cccc(/C=N/NC(=S)Nc3ccc(F)cc3)c2)cc1 ZINC000002542493 557355482 /nfs/dbraw/zinc/35/54/82/557355482.db2.gz JTCIXEUVXKCRQU-ZVHZXABRSA-N 0 0 423.469 4.374 50 30 HIEARN CN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3Cl)S2)cc1 ZINC000002668983 557366225 /nfs/dbraw/zinc/36/62/25/557366225.db2.gz JOLHSDMPNFWGLR-ZTBJCTOSSA-N 0 0 421.353 4.224 50 30 HIEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000002757901 557380780 /nfs/dbraw/zinc/38/07/80/557380780.db2.gz GDIJJTCLDWKXTA-LJQANCHMSA-N 0 0 423.431 4.253 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004115231 557515664 /nfs/dbraw/zinc/51/56/64/557515664.db2.gz WYROKZYMYZSLNB-OAQYLSRUSA-N 0 0 415.555 4.350 50 30 HIEARN CSc1nn(-c2ccccc2)cc1C(=N)NOC(=O)Nc1cccc(Cl)c1 ZINC000004362485 557546840 /nfs/dbraw/zinc/54/68/40/557546840.db2.gz KDBTYQQZCBOVNL-UHFFFAOYSA-N 0 0 401.879 4.117 50 30 HIEARN N#CC(CCCN1CCN(/N=C/c2cccnc2)CC1)(c1ccccc1)c1ccccc1 ZINC000004423343 557554172 /nfs/dbraw/zinc/55/41/72/557554172.db2.gz QFYKXKMYVYOUNJ-JBASAIQMSA-N 0 0 423.564 4.323 50 30 in-vitro HIEARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436379 557555298 /nfs/dbraw/zinc/55/52/98/557555298.db2.gz DDHOUEZMCXHYSD-SFHVURJKSA-N 0 0 414.531 4.065 50 30 HIEARN CC(=O)N[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000004578233 557569656 /nfs/dbraw/zinc/56/96/56/557569656.db2.gz GTLULQKVHSFWIX-BTZNOAQDSA-N 0 0 400.693 4.344 50 30 HIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(F)c1 ZINC000004632289 557574539 /nfs/dbraw/zinc/57/45/39/557574539.db2.gz DYJCGMVNITUZFN-GOSISDBHSA-N 0 0 403.475 4.281 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2cccs2)C1=O ZINC000004663649 557578054 /nfs/dbraw/zinc/57/80/54/557578054.db2.gz RZUCKJSHIJOXMB-UVTDQMKNSA-N 0 0 402.453 4.200 50 30 HIEARN CCc1ccc(/N=C2\S/C(=C/c3ccc(OCC#N)c(OC)c3)C(=O)N2C)cc1 ZINC000004664380 557578253 /nfs/dbraw/zinc/57/82/53/557578253.db2.gz DKUQMUKDSQFKFR-NVTWWLNUSA-N 0 0 407.495 4.394 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 ZINC000004699886 557583480 /nfs/dbraw/zinc/58/34/80/557583480.db2.gz FOMBLQNDBPKQBP-ZABCRHKISA-N 0 0 411.527 4.292 50 30 HIEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000004700754 557583600 /nfs/dbraw/zinc/58/36/00/557583600.db2.gz LIIMBIKTHGAITJ-YQMDHOPXSA-N 0 0 415.490 4.205 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 ZINC000004776961 557596988 /nfs/dbraw/zinc/59/69/88/557596988.db2.gz YFHBNZGEOYAYIJ-YCRPNKLZSA-N 0 0 406.873 4.356 50 30 HIEARN Cc1ccccc1[C@@H]1C(C(=O)OC[C@H]2CCCO2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004906677 557611934 /nfs/dbraw/zinc/61/19/34/557611934.db2.gz BQNMQLQKJNOVGJ-VGOFRKELSA-N 0 0 409.526 4.321 50 30 biogenic HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000004913537 557613241 /nfs/dbraw/zinc/61/32/41/557613241.db2.gz NAEGYESWQJRDPV-FNHZYXHNSA-N 0 0 401.890 4.081 50 30 HIEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]1CC2 ZINC000004957021 557617099 /nfs/dbraw/zinc/61/70/99/557617099.db2.gz VGCUCRYLWXVKLX-BOZPCPKASA-N 0 0 405.454 4.420 50 30 HIEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]1CC2 ZINC000004957025 557617147 /nfs/dbraw/zinc/61/71/47/557617147.db2.gz BJIZUXWOJCFDQX-GLKBCMMNSA-N 0 0 405.454 4.420 50 30 HIEARN COc1cc(Cl)cc([C@H]2NC(=O)NC(C)=C2C(C)=O)c1OCc1ccccc1 ZINC000005027769 557627443 /nfs/dbraw/zinc/62/74/43/557627443.db2.gz IRKNCQOVLVDYBU-LJQANCHMSA-N 0 0 400.862 4.145 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005045058 557629275 /nfs/dbraw/zinc/62/92/75/557629275.db2.gz MWWHDGSJOMDXQU-JOCHJYFZSA-N 0 0 405.473 4.463 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)CC(C)(C)CC(=O)[C@@H]1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000005062847 557633026 /nfs/dbraw/zinc/63/30/26/557633026.db2.gz GORMMYWRNUWTJI-XQFWAAQXSA-N 0 0 413.470 4.046 50 30 HIEARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](c3ccc(F)cc3)CC1=N2 ZINC000005390581 557650410 /nfs/dbraw/zinc/65/04/10/557650410.db2.gz WQKLYXWMBMBGKK-ZSEKCTLFSA-N 0 0 410.399 4.420 50 30 HIEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S1)c1ccc(F)cc1 ZINC000005725219 557670932 /nfs/dbraw/zinc/67/09/32/557670932.db2.gz HNESGQHNJDYMTJ-FVWOBLMASA-N 0 0 409.408 4.399 50 30 HIEARN CCOc1ccccc1C=NN1C(=S)N=NC1c1ccccc1Br ZINC000005874764 557678559 /nfs/dbraw/zinc/67/85/59/557678559.db2.gz IRZOFGGJGPCFEX-YBFXNURJSA-N 0 0 403.305 4.277 50 30 HIEARN CCOC(=O)c1ccc(NC(=NS(=O)(=O)c2ccccc2C)c2ccccc2)cc1 ZINC000006165752 557692488 /nfs/dbraw/zinc/69/24/88/557692488.db2.gz HWFVHZCQEAUGJY-UHFFFAOYSA-N 0 0 422.506 4.419 50 30 HIEARN COc1cc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000006720750 557717321 /nfs/dbraw/zinc/71/73/21/557717321.db2.gz RKRHTUUFTJJOQZ-QFIPXVFZSA-N 0 0 422.456 4.147 50 30 HIEARN COc1ccc(OC)c(NC(=O)CCCC(=O)[C@@H](C#N)c2nc3ccccc3s2)c1 ZINC000008655361 557798895 /nfs/dbraw/zinc/79/88/95/557798895.db2.gz AUMSWFMYNMBYEC-OAHLLOKOSA-N 0 0 423.494 4.299 50 30 HIEARN Brc1ccc(C=NNc2nnc(SCCOc3ccccc3)[nH]2)cc1 ZINC000009695140 557848540 /nfs/dbraw/zinc/84/85/40/557848540.db2.gz PUBGQMGCVYCEEN-XDHOZWIPSA-N 0 0 418.320 4.184 50 30 HIEARN COc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003073722 558259398 /nfs/dbraw/zinc/25/93/98/558259398.db2.gz PAFORFODQVWLDI-QFIPXVFZSA-N 0 0 408.542 4.312 50 30 HIEARN CCN(CC)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000019794478 558283711 /nfs/dbraw/zinc/28/37/11/558283711.db2.gz RXKGPGFJCPFQFN-LJQANCHMSA-N 0 0 416.880 4.357 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(OC)c1 ZINC000019810885 558286835 /nfs/dbraw/zinc/28/68/35/558286835.db2.gz SJTIEWCWKFTFRQ-YCRPNKLZSA-N 0 0 409.507 4.291 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019972808 558316456 /nfs/dbraw/zinc/31/64/56/558316456.db2.gz IABVJLGSZSZKSY-QFIPXVFZSA-N 0 0 402.494 4.429 50 30 HIEARN O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000020028593 558322758 /nfs/dbraw/zinc/32/27/58/558322758.db2.gz KBJHGKQYXGYZKQ-MDZDMXLPSA-N 0 0 406.860 4.456 50 30 HIEARN COc1ccc2c(COC(=O)c3cc(C4CC4)nc(SC)c3C#N)cc(=O)oc2c1 ZINC000010711508 558425651 /nfs/dbraw/zinc/42/56/51/558425651.db2.gz CJQDGXGYHKRLHH-UHFFFAOYSA-N 0 0 422.462 4.025 50 30 HIEARN CC1(C)CC(=O)C=C(C(=O)N2CCc3onc(-c4cccc5ccccc54)c3C2)O1 ZINC000012704854 558449490 /nfs/dbraw/zinc/44/94/90/558449490.db2.gz LHXVQBVBYZELFS-UHFFFAOYSA-N 0 0 402.450 4.031 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 ZINC000012970094 558488695 /nfs/dbraw/zinc/48/86/95/558488695.db2.gz IRUYSMYHMVMAGR-QRQCRPRQSA-N 0 0 415.445 4.382 50 30 HIEARN O=C1ON=C(c2ccccc2)C1=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013467742 558533513 /nfs/dbraw/zinc/53/35/13/558533513.db2.gz KOKWFERPGJZNCL-AFUMVMLFSA-N 0 0 401.266 4.453 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)o1 ZINC000013548320 558538521 /nfs/dbraw/zinc/53/85/21/558538521.db2.gz YXOSJGCBJULENR-IBGZPJMESA-N 0 0 408.841 4.415 50 30 HIEARN COc1ccc(CN=Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1OC ZINC000013551823 558539142 /nfs/dbraw/zinc/53/91/42/558539142.db2.gz QLOZLOBODCIGBE-VXLYETTFSA-N 0 0 402.501 4.293 50 30 HIEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)cc2)C3)ccc1O ZINC000013682472 558567428 /nfs/dbraw/zinc/56/74/28/558567428.db2.gz XHIVTOGNOCFBAD-QRQCRPRQSA-N 0 0 418.449 4.361 50 30 HIEARN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000013801826 558594832 /nfs/dbraw/zinc/59/48/32/558594832.db2.gz PUUJKIWKEQOHGJ-CEXWTWQISA-N 0 0 407.562 4.416 50 30 HIEARN COc1ccc(-c2nnc(S/C(=N/Nc3ccc(Cl)cc3)C(C)=O)n2C)cc1 ZINC000013810110 558595418 /nfs/dbraw/zinc/59/54/18/558595418.db2.gz VPMMPXRWLYMWBA-PTGBLXJZSA-N 0 0 415.906 4.251 50 30 HIEARN COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@](C)(O)[C@@H]2C(C)=O)cc1OC ZINC000013151586 558597108 /nfs/dbraw/zinc/59/71/08/558597108.db2.gz UKYUDHVJWJPQCG-SDHSZQHLSA-N 0 0 423.509 4.103 50 30 HIEARN COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)cc1OC ZINC000004516887 558639096 /nfs/dbraw/zinc/63/90/96/558639096.db2.gz JCTRCLALPLMZFK-UHFFFAOYSA-N 0 0 410.861 4.387 50 30 HIEARN N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000072288567 558720284 /nfs/dbraw/zinc/72/02/84/558720284.db2.gz GZVDMFPHXMKRRV-LJQANCHMSA-N 0 0 406.873 4.344 50 30 HIEARN CSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998199 558808340 /nfs/dbraw/zinc/80/83/40/558808340.db2.gz YEDNDJDNKJLGGB-LJQANCHMSA-N 0 0 423.885 4.230 50 30 HIEARN CC(C)c1ccc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000017082580 558814717 /nfs/dbraw/zinc/81/47/17/558814717.db2.gz UEVJYQVJLKBGBM-UUYOSTAYSA-N 0 0 402.907 4.166 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3ccc(O)cc3)C12 ZINC000017177809 558824938 /nfs/dbraw/zinc/82/49/38/558824938.db2.gz OMWYHXMFDUKTES-FQEVSTJZSA-N 0 0 422.485 4.437 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019313858 558866927 /nfs/dbraw/zinc/86/69/27/558866927.db2.gz ZMPGILGSMDMTDK-HTAPYJJXSA-N 0 0 418.449 4.129 50 30 HIEARN C=CCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CCCC3=O)s1 ZINC000004686094 558895382 /nfs/dbraw/zinc/89/53/82/558895382.db2.gz DWCPMZSKQRHERC-CQSZACIVSA-N 0 0 415.515 4.483 50 30 HIEARN CN1C(=CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)N[C@@H]2C=CC=C[C@@H]21 ZINC000019595400 558946002 /nfs/dbraw/zinc/94/60/02/558946002.db2.gz VAFWWWKBPITWEN-KGOJFESUSA-N 0 0 406.493 4.415 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C#N)c1C ZINC000013952812 558985563 /nfs/dbraw/zinc/98/55/63/558985563.db2.gz UIQKWILIFQSLGE-UHFFFAOYSA-N 0 0 420.878 4.224 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1OC ZINC000097105078 558993865 /nfs/dbraw/zinc/99/38/65/558993865.db2.gz PHSGAVAEYCAKBB-CVDCTZTESA-N 0 0 410.466 4.032 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccc(F)c1 ZINC000004736329 559035635 /nfs/dbraw/zinc/03/56/35/559035635.db2.gz FERAMSUGGCWFKZ-UHFFFAOYSA-N 0 0 404.417 4.279 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3c[nH]c4ccccc43)o1)CCC2 ZINC000011347260 559057594 /nfs/dbraw/zinc/05/75/94/559057594.db2.gz LWETVRZRYFMHHQ-UHFFFAOYSA-N 0 0 421.507 4.371 50 30 HIEARN CC1(C)CC(=O)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100034040 559129030 /nfs/dbraw/zinc/12/90/30/559129030.db2.gz WIFCYJMTCUPDDT-LJQANCHMSA-N 0 0 413.470 4.454 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 ZINC000100623252 559137031 /nfs/dbraw/zinc/13/70/31/559137031.db2.gz XWELREAAZOGAJP-JLCFBVMHSA-N 0 0 409.507 4.291 50 30 HIEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)ccc1O ZINC000101315454 559145935 /nfs/dbraw/zinc/14/59/35/559145935.db2.gz CFFSWIJKYJMZAO-YIKPVDIZSA-N 0 0 422.481 4.022 50 30 HIEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)c1 ZINC000101315527 559145942 /nfs/dbraw/zinc/14/59/42/559145942.db2.gz LGTHLNMURRWVPX-ZFGLAFRWSA-N 0 0 406.482 4.316 50 30 HIEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c1C#N ZINC000014050118 559146819 /nfs/dbraw/zinc/14/68/19/559146819.db2.gz VKWFNVIWXQWWHC-UHFFFAOYSA-N 0 0 412.449 4.243 50 30 HIEARN COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)cc1 ZINC000014094363 559150169 /nfs/dbraw/zinc/15/01/69/559150169.db2.gz DXDLPPFQPNAQIX-INIZCTEOSA-N 0 0 414.465 4.258 50 30 HIEARN N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)NCCc2cccs2)c1 ZINC000014228333 559161067 /nfs/dbraw/zinc/16/10/67/559161067.db2.gz MPFJKVFDLASEJU-UHFFFAOYSA-N 0 0 421.547 4.323 50 30 HIEARN CCOc1ccc(OCC)c(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)c1 ZINC000014251256 559162018 /nfs/dbraw/zinc/16/20/18/559162018.db2.gz JCXVVSCDEWLHQA-UHFFFAOYSA-N 0 0 423.494 4.497 50 30 HIEARN CCCC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100162975 559167385 /nfs/dbraw/zinc/16/73/85/559167385.db2.gz UKDJPIJTVLYLOU-FYPAKXHLSA-N 0 0 422.319 4.273 50 30 HIEARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 ZINC000011684372 559177044 /nfs/dbraw/zinc/17/70/44/559177044.db2.gz CQTFXCDNVPYPAP-UHFFFAOYSA-N 0 0 410.495 4.061 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2cccs2)C1=O ZINC000100209205 559177584 /nfs/dbraw/zinc/17/75/84/559177584.db2.gz RZUCKJSHIJOXMB-GXDHUFHOSA-N 0 0 402.453 4.200 50 30 HIEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3cccc(F)c3)S2)cc1Cl ZINC000100263340 559190847 /nfs/dbraw/zinc/19/08/47/559190847.db2.gz NQVHPKPOXHFBBN-IHIJCHFRSA-N 0 0 405.882 4.378 50 30 HIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004888194 559197769 /nfs/dbraw/zinc/19/77/69/559197769.db2.gz SSURETABIDPLEY-MJHJUBQXSA-N 0 0 410.543 4.005 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000004918356 559204514 /nfs/dbraw/zinc/20/45/14/559204514.db2.gz YTUWARYTUCJIKC-SIKLNZKXSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004919074 559204627 /nfs/dbraw/zinc/20/46/27/559204627.db2.gz JJOXAJBQAZGCHL-AUSIDOKSSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1OC ZINC000004919761 559204857 /nfs/dbraw/zinc/20/48/57/559204857.db2.gz QIHNZDIMQCMAJX-WZONZLPQSA-N 0 0 410.466 4.032 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OC)c1OC ZINC000004943855 559214449 /nfs/dbraw/zinc/21/44/49/559214449.db2.gz WUEGCEPRIQTDIY-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1cccs1 ZINC000005047183 559236685 /nfs/dbraw/zinc/23/66/85/559236685.db2.gz UTZYBEHIZHGKJG-ZMOGYAJESA-N 0 0 418.526 4.173 50 30 HIEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1 ZINC000005155846 559258244 /nfs/dbraw/zinc/25/82/44/559258244.db2.gz FFQZJNXUMHFOSF-STZFKDTASA-N 0 0 407.466 4.431 50 30 HIEARN CC(C=CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1 ZINC000252615612 559278524 /nfs/dbraw/zinc/27/85/24/559278524.db2.gz JTLONAYUOSSFTI-PXWWHBEFSA-N 0 0 405.550 4.353 50 30 HIEARN CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253505021 559280936 /nfs/dbraw/zinc/28/09/36/559280936.db2.gz HKTPWOIJKNNTFE-ARXCBNOMSA-N 0 0 414.615 4.167 50 30 HIEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccccc2)ccc1O ZINC000000796004 560178657 /nfs/dbraw/zinc/17/86/57/560178657.db2.gz VVHYQFXVNNVWTB-OAQYLSRUSA-N 0 0 419.433 4.081 50 30 biogenic,in-vitro HIEARN CCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC ZINC000005268449 560558173 /nfs/dbraw/zinc/55/81/73/560558173.db2.gz BGMPWWUVWJHWQM-UZUQRXQVSA-N 0 0 416.481 4.101 50 30 HIEARN COc1ccc2c(c1)c(C(=O)C1=Cc3cc(OC)c(OC)cc3CCN1C)c(C)n2C ZINC000062001572 560565800 /nfs/dbraw/zinc/56/58/00/560565800.db2.gz AJIMFZVXLKEZFI-UHFFFAOYSA-N 0 0 420.509 4.224 50 30 HIEARN C=CCN(Cc1cccc(OC)c1OC)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000005428719 560586173 /nfs/dbraw/zinc/58/61/73/560586173.db2.gz NPTAQSPLJREXGT-UHFFFAOYSA-N 0 0 410.470 4.031 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005446203 560588236 /nfs/dbraw/zinc/58/82/36/560588236.db2.gz RPXLYXKELRGIKK-UYAOXDASSA-N 0 0 411.885 4.406 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000005491269 560597522 /nfs/dbraw/zinc/59/75/22/560597522.db2.gz LMXPZIHWAYOCLK-RHSMWYFYSA-N 0 0 403.887 4.159 50 30 HIEARN C=CCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100874443 560761474 /nfs/dbraw/zinc/76/14/74/560761474.db2.gz PMWQOJFUIBPRLX-ZPHPHTNESA-N 0 0 418.272 4.301 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(O)c1 ZINC000018197248 560782798 /nfs/dbraw/zinc/78/27/98/560782798.db2.gz CUNNRERFKDZVJT-LJQANCHMSA-N 0 0 401.466 4.072 50 30 HIEARN COc1cc(OC)c([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1OC ZINC000018197466 560782924 /nfs/dbraw/zinc/78/29/24/560782924.db2.gz ROVMGTZINLJFBA-QFIPXVFZSA-N 0 0 409.438 4.006 50 30 HIEARN COc1ccc([C@@H]2c3c(C)[nH]nc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1O ZINC000018198339 560783515 /nfs/dbraw/zinc/78/35/15/560783515.db2.gz IOPGHBKHZCAHAI-RNODOKPDSA-N 0 0 407.495 4.452 50 30 HIEARN COC(=O)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 ZINC000005695146 560786190 /nfs/dbraw/zinc/78/61/90/560786190.db2.gz LFQGMJKVGJUWGL-XDJHFCHBSA-N 0 0 410.429 4.133 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000101287981 560790728 /nfs/dbraw/zinc/79/07/28/560790728.db2.gz VCGZSVOICKMWHP-MRJHHRETSA-N 0 0 416.433 4.174 50 30 HIEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102401878 560810559 /nfs/dbraw/zinc/81/05/59/560810559.db2.gz QTIJXPOVLWVMBK-CVCLFZMUSA-N 0 0 405.494 4.411 50 30 HIEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102401876 560810565 /nfs/dbraw/zinc/81/05/65/560810565.db2.gz QTIJXPOVLWVMBK-XZIUATRESA-N 0 0 405.494 4.411 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102510505 560815104 /nfs/dbraw/zinc/81/51/04/560815104.db2.gz DQOGWNUYDDCLBS-MRJHHRETSA-N 0 0 402.450 4.480 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102649398 560818985 /nfs/dbraw/zinc/81/89/85/560818985.db2.gz UQLLZIZUNJSCIN-BCHZJAEDSA-N 0 0 415.848 4.080 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102703556 560820525 /nfs/dbraw/zinc/82/05/25/560820525.db2.gz MRAQSJXHTNDFBU-JBCNATCCSA-N 0 0 418.449 4.316 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102872418 560830204 /nfs/dbraw/zinc/83/02/04/560830204.db2.gz DFFBZGPOVFGPER-JBCNATCCSA-N 0 0 403.434 4.219 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102865041 560832585 /nfs/dbraw/zinc/83/25/85/560832585.db2.gz JVZAJAOPOVFVTG-MRJHHRETSA-N 0 0 418.449 4.004 50 30 HIEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000102869120 560832706 /nfs/dbraw/zinc/83/27/06/560832706.db2.gz RLSQGEHVIBRCTE-SELCWUDQSA-N 0 0 405.479 4.090 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1 ZINC000102884084 560834043 /nfs/dbraw/zinc/83/40/43/560834043.db2.gz LOZRLJCTKHUOPM-HOGKFDNTSA-N 0 0 423.509 4.180 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1 ZINC000102884082 560834120 /nfs/dbraw/zinc/83/41/20/560834120.db2.gz LOZRLJCTKHUOPM-MOBKVPTQSA-N 0 0 423.509 4.180 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000102929095 560834703 /nfs/dbraw/zinc/83/47/03/560834703.db2.gz JRVIPCBISUAEOY-NHFXJNLRSA-N 0 0 400.390 4.221 50 30 HIEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc([N+](=O)[O-])cn1)C(=O)c1ccccc1-2 ZINC000103470022 560842583 /nfs/dbraw/zinc/84/25/83/560842583.db2.gz QJBMSGZADXGWPX-LFIBNONCSA-N 0 0 419.393 4.384 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000104096816 560848092 /nfs/dbraw/zinc/84/80/92/560848092.db2.gz CGJMHGUAROYXKN-YDJIHCHBSA-N 0 0 418.380 4.360 50 30 HIEARN O=C(N/C(=N/c1ccccc1)NCc1ccncc1)c1ccc(Br)cc1 ZINC000045940520 568421803 /nfs/dbraw/zinc/42/18/03/568421803.db2.gz UPYSOKRPWCLKAJ-UHFFFAOYSA-N 0 0 409.287 4.051 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)ccc2C)cc1 ZINC000046125712 568428482 /nfs/dbraw/zinc/42/84/82/568428482.db2.gz XTQKQGADHBRWBE-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2cccc(NC(C)=O)c2)NCc2cccnc2)c1 ZINC000046127811 568428909 /nfs/dbraw/zinc/42/89/09/568428909.db2.gz ZRXKTAOAIWHYNH-UHFFFAOYSA-N 0 0 415.497 4.001 50 30 HIEARN CCc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cc(OC)cc(OC)c2)cc1 ZINC000046128432 568429063 /nfs/dbraw/zinc/42/90/63/568429063.db2.gz DFZXXGXDNLGQIB-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048326223 568438981 /nfs/dbraw/zinc/43/89/81/568438981.db2.gz OOMKAHBLLRWNQK-LJQANCHMSA-N 0 0 407.539 4.014 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N(O)C(=O)Nc1ccccc1 ZINC000012320976 568470578 /nfs/dbraw/zinc/47/05/78/568470578.db2.gz NRUCIBZFPFTGGX-XWAFYUISSA-N 0 0 406.558 4.444 50 30 HIEARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1OC ZINC000012323404 568471428 /nfs/dbraw/zinc/47/14/28/568471428.db2.gz CPKRKWKPOREKEX-ZMZPIMSZSA-N 0 0 424.482 4.128 50 30 HIEARN COC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000000814722 568490014 /nfs/dbraw/zinc/49/00/14/568490014.db2.gz ZFVXSSCKAWGUIQ-VIFPVBQESA-N 0 0 413.282 4.428 50 30 HIEARN C=CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(OCCCC)cc1 ZINC000002891992 568509898 /nfs/dbraw/zinc/50/98/98/568509898.db2.gz WSOCQEZYLCIYQY-XSFVSMFZSA-N 0 0 423.465 4.094 50 30 HIEARN CCOC(=O)c1cccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c1 ZINC000000832534 568512055 /nfs/dbraw/zinc/51/20/55/568512055.db2.gz GGQKIELXFFTBLN-UHFFFAOYSA-N 0 0 405.479 4.322 50 30 HIEARN COc1cc(C=Nc2c(-c3ccc(O)c(OC)c3)nc3cc(C)ccn32)ccc1O ZINC000390827083 568591449 /nfs/dbraw/zinc/59/14/49/568591449.db2.gz TUVBXYRLCKZKSP-UHFFFAOYSA-N 0 0 403.438 4.489 50 30 HIEARN COc1ccc(-c2nn(C)c3sc(C(=O)Nc4cccc(C#N)c4)cc23)cc1OC ZINC000020233742 568595356 /nfs/dbraw/zinc/59/53/56/568595356.db2.gz QZUVBIOIDWOMGW-UHFFFAOYSA-N 0 0 418.478 4.443 50 30 HIEARN COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Cl)cc1Cl)N(C)CC3)OCO2 ZINC000020411247 568605254 /nfs/dbraw/zinc/60/52/54/568605254.db2.gz MCOIXNDOBXKQAW-MRXNPFEDSA-N 0 0 420.292 4.342 50 30 HIEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCCn3nc(C)cc3C)cc1)C2 ZINC000095478948 568631993 /nfs/dbraw/zinc/63/19/93/568631993.db2.gz LXBSCVNDVJYUPL-NDENLUEZSA-N 0 0 418.493 4.419 50 30 HIEARN Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1\S/C(=N\C2CCCC2)NC1=O ZINC000020987571 568655399 /nfs/dbraw/zinc/65/53/99/568655399.db2.gz GCWAEGANNOJLGC-BOPFTXTBSA-N 0 0 400.935 4.396 50 30 HIEARN N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000012418548 568718974 /nfs/dbraw/zinc/71/89/74/568718974.db2.gz IKMJUXAEMLLFAO-MDZDMXLPSA-N 0 0 418.884 4.332 50 30 HIEARN CC(C)CNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N ZINC000012421309 568720891 /nfs/dbraw/zinc/72/08/91/568720891.db2.gz YIYBSODURLOYAI-UHFFFAOYSA-N 0 0 424.526 4.102 50 30 HIEARN Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1 ZINC000000876261 568726283 /nfs/dbraw/zinc/72/62/83/568726283.db2.gz TVIKWGHRIANCCL-UHFFFAOYSA-N 0 0 423.567 4.333 50 30 HIEARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000025282610 568761825 /nfs/dbraw/zinc/76/18/25/568761825.db2.gz WEWLOVOCMLKEBS-UHFFFAOYSA-N 0 0 403.313 4.135 50 30 HIEARN C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000052660522 568774995 /nfs/dbraw/zinc/77/49/95/568774995.db2.gz MBMAHPOTOBGHEW-CQSZACIVSA-N 0 0 411.527 4.489 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000002495343 568776403 /nfs/dbraw/zinc/77/64/03/568776403.db2.gz AOYQZVRZKFNQRS-DNVCBOLYSA-N 0 0 409.869 4.198 50 30 HIEARN C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2sc(C)c(C)c2c1=O ZINC000002619507 568786820 /nfs/dbraw/zinc/78/68/20/568786820.db2.gz NUAIGIVRDRKBDK-UHFFFAOYSA-N 0 0 401.557 4.191 50 30 HIEARN C=CCSc1nnc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)s1 ZINC000002627714 568789822 /nfs/dbraw/zinc/78/98/22/568789822.db2.gz SQCLOSILPYXPTL-UHFFFAOYSA-N 0 0 411.508 4.065 50 30 HIEARN C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(Cl)cc1 ZINC000002636652 568792440 /nfs/dbraw/zinc/79/24/40/568792440.db2.gz RCYXCVOVDUAJHH-UHFFFAOYSA-N 0 0 424.957 4.462 50 30 HIEARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1C ZINC000002638461 568792900 /nfs/dbraw/zinc/79/29/00/568792900.db2.gz PVYCFPJROGBTJV-UHFFFAOYSA-N 0 0 419.506 4.334 50 30 HIEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1ccc3ncsc3c1)CCCCC2 ZINC000002644716 568794833 /nfs/dbraw/zinc/79/48/33/568794833.db2.gz WMILPYCSDIZTEF-UHFFFAOYSA-N 0 0 411.508 4.294 50 30 HIEARN COc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)cc1 ZINC000002707713 568801728 /nfs/dbraw/zinc/80/17/28/568801728.db2.gz LBVFOBJNIXUXEB-UHFFFAOYSA-N 0 0 402.479 4.407 50 30 HIEARN Cc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(C#N)cc1 ZINC000002953901 568829655 /nfs/dbraw/zinc/82/96/55/568829655.db2.gz PCKAJKYEXVSYSE-FVDSYPCUSA-N 0 0 424.460 4.293 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 ZINC000006005289 568835146 /nfs/dbraw/zinc/83/51/46/568835146.db2.gz JZWNWHVZDIOGEO-YVEFUNNKSA-N 0 0 411.527 4.234 50 30 HIEARN C=CCNC(=O)CSc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000003020752 568840218 /nfs/dbraw/zinc/84/02/18/568840218.db2.gz QMUWLUIWGWWPIC-UHFFFAOYSA-N 0 0 423.853 4.034 50 30 HIEARN N#CCCn1cc(C(=O)COC(=O)CSCc2ccc(F)cc2)c2ccccc21 ZINC000012522987 568842304 /nfs/dbraw/zinc/84/23/04/568842304.db2.gz UEIXIINSGDIZLL-UHFFFAOYSA-N 0 0 410.470 4.353 50 30 HIEARN C=CCc1c(C)nc2nc(SCC(=O)Nc3cccc(Cl)c3C)nn2c1C ZINC000003040480 568847774 /nfs/dbraw/zinc/84/77/74/568847774.db2.gz NLLLCHSPXXOGGU-UHFFFAOYSA-N 0 0 401.923 4.162 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccccc1OC(F)F ZINC000057531516 568852450 /nfs/dbraw/zinc/85/24/50/568852450.db2.gz IUSHUPOTZCBRBC-KRWDZBQOSA-N 0 0 406.454 4.307 50 30 HIEARN Cc1nnc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1-c1ccccc1 ZINC000003355316 568856941 /nfs/dbraw/zinc/85/69/41/568856941.db2.gz BEYDWOKRFJDEPL-UHFFFAOYSA-N 0 0 411.918 4.268 50 30 HIEARN N#CCCN(C(=O)COC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000003361631 568857234 /nfs/dbraw/zinc/85/72/34/568857234.db2.gz VWQDEENKNVPPAM-UHFFFAOYSA-N 0 0 421.678 4.206 50 30 HIEARN N#Cc1cccc(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC000030181750 568858614 /nfs/dbraw/zinc/85/86/14/568858614.db2.gz CNUFPHZYRNBVLD-UHFFFAOYSA-N 0 0 405.498 4.384 50 30 HIEARN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(C)cc1 ZINC000012563649 568859424 /nfs/dbraw/zinc/85/94/24/568859424.db2.gz PWLBTOMPZCBFBU-IBGZPJMESA-N 0 0 416.525 4.036 50 30 HIEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(F)cc1F ZINC000003176715 568859947 /nfs/dbraw/zinc/85/99/47/568859947.db2.gz JAUIMANHRDXWMO-UHFFFAOYSA-N 0 0 403.841 4.458 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21 ZINC000003235631 568865423 /nfs/dbraw/zinc/86/54/23/568865423.db2.gz VZANPMAPKNHMNS-UHFFFAOYSA-N 0 0 414.486 4.456 50 30 HIEARN CC(C)CCn1nc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c2ccccc2c1=O ZINC000003279985 568871494 /nfs/dbraw/zinc/87/14/94/568871494.db2.gz AYMGRERSQUQXHQ-KRWDZBQOSA-N 0 0 421.497 4.317 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000003470688 568907886 /nfs/dbraw/zinc/90/78/86/568907886.db2.gz RHLJZYQQWQKFPY-CQSZACIVSA-N 0 0 413.568 4.230 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccccc1 ZINC000003485199 568908701 /nfs/dbraw/zinc/90/87/01/568908701.db2.gz JCEIJEDAVDXOQP-FQEVSTJZSA-N 0 0 404.539 4.417 50 30 HIEARN COc1ccc2occ([C@H]3CC(=O)Oc4ccc5c(c43)OC(=C(C)C)C5=O)c(=O)c2c1 ZINC000217768522 568911175 /nfs/dbraw/zinc/91/11/75/568911175.db2.gz HURQUFAJUUGEDG-CQSZACIVSA-N 0 0 418.401 4.112 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004004713 568933056 /nfs/dbraw/zinc/93/30/56/568933056.db2.gz GGIPIZZLMZDVBP-VXNXHJTFSA-N 0 0 422.481 4.302 50 30 HIEARN CC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004024683 568933877 /nfs/dbraw/zinc/93/38/77/568933877.db2.gz BHGMIXCYXMPJDA-JOCHJYFZSA-N 0 0 406.438 4.162 50 30 HIEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1 ZINC000004066108 568937611 /nfs/dbraw/zinc/93/76/11/568937611.db2.gz FQCFUYOPAVKGGS-QFIPXVFZSA-N 0 0 411.542 4.433 50 30 HIEARN O=C1c2ccc3c4c(ccc(c42)C(=O)N1/N=C/c1ccc(Br)cc1)CC3 ZINC000001424912 568938876 /nfs/dbraw/zinc/93/88/76/568938876.db2.gz JTFPCQCKLWWLHO-FOKLQQMPSA-N 0 0 405.251 4.331 50 30 HIEARN CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000004093478 568942457 /nfs/dbraw/zinc/94/24/57/568942457.db2.gz LXQNASURLGZXDD-NRFANRHFSA-N 0 0 418.449 4.160 50 30 HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(C)cc3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000004182743 568949397 /nfs/dbraw/zinc/94/93/97/568949397.db2.gz RKXPVICVAJINNA-SDHOMARFSA-N 0 0 407.510 4.402 50 30 HIEARN CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000032254272 568951494 /nfs/dbraw/zinc/95/14/94/568951494.db2.gz PLVSPWVHLBFPNO-IBGZPJMESA-N 0 0 421.566 4.334 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@H](c2cccc(O)c2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000004279868 568958742 /nfs/dbraw/zinc/95/87/42/568958742.db2.gz GUGOUPIUCXFRNT-OAQYLSRUSA-N 0 0 416.481 4.317 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1cc(OC)ccc1OC)Nc1ccccc1-2 ZINC000003640784 568963109 /nfs/dbraw/zinc/96/31/09/568963109.db2.gz PZGAMEPZMRJKBK-LJQANCHMSA-N 0 0 408.483 4.337 50 30 HIEARN C=CCN1c2ccc(Br)cc2[C@](O)(CC(=O)c2cc(C)ccc2C)C1=O ZINC000004554839 568963914 /nfs/dbraw/zinc/96/39/14/568963914.db2.gz LGERBSRNIZIWGK-OAQYLSRUSA-N 0 0 414.299 4.059 50 30 HIEARN C=CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc(OCCCC)cc1 ZINC000004755590 568964099 /nfs/dbraw/zinc/96/40/99/568964099.db2.gz OONIXYMLVFYTBL-PXHMOYOXSA-N 0 0 404.510 4.495 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1OC ZINC000004944156 568964588 /nfs/dbraw/zinc/96/45/88/568964588.db2.gz LLBBOFLAFLWYFL-INIZCTEOSA-N 0 0 407.857 4.225 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1OC ZINC000005501571 568965150 /nfs/dbraw/zinc/96/51/50/568965150.db2.gz SVZJAKQGSLECBM-UHFFFAOYSA-N 0 0 408.527 4.433 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(OC)cc1 ZINC000005478616 568965313 /nfs/dbraw/zinc/96/53/13/568965313.db2.gz SUQJLPOQLPEDRK-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000007990965 568976298 /nfs/dbraw/zinc/97/62/98/568976298.db2.gz GWQDTMCGVTZEPC-QGZVFWFLSA-N 0 0 411.527 4.223 50 30 HIEARN C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1C1CC1 ZINC000012803044 568979206 /nfs/dbraw/zinc/97/92/06/568979206.db2.gz BOAAQDJCUNIBJL-CQSZACIVSA-N 0 0 400.573 4.351 50 30 HIEARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(C#N)c1)CC2 ZINC000008271337 568986446 /nfs/dbraw/zinc/98/64/46/568986446.db2.gz RWXPDBLZTCYJKQ-JOCHJYFZSA-N 0 0 404.491 4.425 50 30 HIEARN C=CCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 ZINC000006076813 568992871 /nfs/dbraw/zinc/99/28/71/568992871.db2.gz OGZXKSOQJWVCRO-PXLXIMEGSA-N 0 0 403.478 4.433 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)CCCC ZINC000012409525 568994744 /nfs/dbraw/zinc/99/47/44/568994744.db2.gz GRYUUIXBRUIDBA-UHFFFAOYSA-N 0 0 404.532 4.261 50 30 HIEARN Cc1nc(SCC(=O)NC2CCCCCC2)c(C#N)cc1C(=O)Nc1ccccc1 ZINC000006083143 568996724 /nfs/dbraw/zinc/99/67/24/568996724.db2.gz VDYBOQIFZXPTTD-UHFFFAOYSA-N 0 0 422.554 4.445 50 30 HIEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000006084049 568996945 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C=C(C)CN1CCN(c2c3c(nc4c(-c5ccccc5)c(C)nn42)CCCC3)CC1 ZINC000002223766 569007112 /nfs/dbraw/zinc/00/71/12/569007112.db2.gz HTAOWVGTTTUUON-UHFFFAOYSA-N 0 0 401.558 4.282 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(F)cc1 ZINC000002229591 569007149 /nfs/dbraw/zinc/00/71/49/569007149.db2.gz MZQVXCVLKMXRRX-UHFFFAOYSA-N 0 0 400.454 4.449 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2sc(C)c(C)c2c1=O ZINC000002395666 569007203 /nfs/dbraw/zinc/00/72/03/569007203.db2.gz GZIULXGQTBOSSC-UHFFFAOYSA-N 0 0 421.494 4.270 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2sc(C)c(C)c2c1=O ZINC000002336127 569007237 /nfs/dbraw/zinc/00/72/37/569007237.db2.gz BLEAQNBQRKXOFC-UHFFFAOYSA-N 0 0 415.496 4.144 50 30 HIEARN CCOC(=O)c1ccc(/N=C2/S/C(=C/c3cc4c(cc3C)OCO4)C(=O)N2C)cc1 ZINC000101726262 569008253 /nfs/dbraw/zinc/00/82/53/569008253.db2.gz BYUKZEBTNXCZTL-BCNJKLCYSA-N 0 0 424.478 4.134 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000019227901 569009630 /nfs/dbraw/zinc/00/96/30/569009630.db2.gz RYEXRWJWKORFFP-OAQYLSRUSA-N 0 0 413.514 4.259 50 30 HIEARN C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)NCc2ccc(C)cc2)cc1OC ZINC000012857556 569011262 /nfs/dbraw/zinc/01/12/62/569011262.db2.gz DNIKPXZSHVKMSY-JOCHJYFZSA-N 0 0 424.541 4.459 50 30 HIEARN C=C(C)C(=O)OCCOc1ccc(/C(C)=N\N=c2/sc3ccccc3n2C)cc1 ZINC000005943766 569012755 /nfs/dbraw/zinc/01/27/55/569012755.db2.gz YVXIFETZIYNGST-PWLATROYSA-N 0 0 409.511 4.063 50 30 HIEARN C=CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1[C@@H]1COc2ccccc2O1 ZINC000012876161 569013616 /nfs/dbraw/zinc/01/36/16/569013616.db2.gz XHWJEUDZOHYBMJ-CJNGLKHVSA-N 0 0 413.503 4.336 50 30 HIEARN C=CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(C)c(F)c2)c1 ZINC000017121147 569017099 /nfs/dbraw/zinc/01/70/99/569017099.db2.gz YGWVQVDOAKSONI-UHFFFAOYSA-N 0 0 402.429 4.025 50 30 HIEARN C=CCN(C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1nc2c(s1)CCCC2 ZINC000012915473 569022534 /nfs/dbraw/zinc/02/25/34/569022534.db2.gz POJYCDTVHUYLQT-OAHLLOKOSA-N 0 0 415.584 4.155 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000006196419 569031412 /nfs/dbraw/zinc/03/14/12/569031412.db2.gz LBNZHPCQLFKZJB-NRFANRHFSA-N 0 0 409.482 4.009 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000013041959 569043489 /nfs/dbraw/zinc/04/34/89/569043489.db2.gz ZDVSRIBBJMFVQF-MFMIUCCHSA-N 0 0 401.890 4.490 50 30 HIEARN Cc1cc(/C=C/C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(C)n1Cc1ccco1 ZINC000013987628 569043854 /nfs/dbraw/zinc/04/38/54/569043854.db2.gz PGKNDAAJJRQTOA-YXBWYFRISA-N 0 0 423.513 4.034 50 30 HIEARN C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000013010792 569050062 /nfs/dbraw/zinc/05/00/62/569050062.db2.gz JIUUKLWTMKGRHT-OAHLLOKOSA-N 0 0 412.946 4.430 50 30 HIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c1C ZINC000006647593 569079342 /nfs/dbraw/zinc/07/93/42/569079342.db2.gz ZPNLPDKHUIKOSM-UHFFFAOYSA-N 0 0 413.499 4.333 50 30 HIEARN COc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OC(F)F ZINC000006648736 569081269 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O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccccc3)c2ncn1-c1ccccc1 ZINC000002418074 569397488 /nfs/dbraw/zinc/39/74/88/569397488.db2.gz TXFDTSOMPRJRDH-JFLMPSFJSA-N 0 0 416.444 4.166 50 30 HIEARN N#Cc1cccc(C(=O)N(Cc2nnc(-c3ccccc3Br)o2)C2CC2)c1 ZINC000012993119 569406044 /nfs/dbraw/zinc/40/60/44/569406044.db2.gz QOKVTCCHWQFMLF-UHFFFAOYSA-N 0 0 423.270 4.176 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 ZINC000013161753 569410187 /nfs/dbraw/zinc/41/01/87/569410187.db2.gz NJGCSPASSSDPIT-FQEVSTJZSA-N 0 0 407.397 4.206 50 30 HIEARN COc1ccc(/C=N\N=C2/NC(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000013370954 569412893 /nfs/dbraw/zinc/41/28/93/569412893.db2.gz MSCRTPOHJCSEKE-LIQPLZLLSA-N 0 0 408.310 4.166 50 30 HIEARN C[C@@H]1C[C@H]1c1cc(NC(=O)C(=O)N2CCc3cc(F)ccc32)n(-c2ccccc2)n1 ZINC000328596538 569416127 /nfs/dbraw/zinc/41/61/27/569416127.db2.gz AUDWVXJLAGQHSV-RDTXWAMCSA-N 0 0 404.445 4.312 50 30 HIEARN Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N ZINC000019597299 569424137 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/nfs/dbraw/zinc/28/47/98/571284798.db2.gz HQMNCDJVVYRIBV-JJXNMMKVSA-N 0 0 422.337 4.043 50 30 HIEARN CCOc1ccccc1-c1nc(CC(=O)OCCOc2ccc(C#N)cc2)cs1 ZINC000009899498 571289810 /nfs/dbraw/zinc/28/98/10/571289810.db2.gz MMEDDMMSYZWKLL-UHFFFAOYSA-N 0 0 408.479 4.245 50 30 HIEARN CC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 ZINC000003178388 845009479 /nfs/dbraw/zinc/00/94/79/845009479.db2.gz QGKSDSPWPOLCDF-UHFFFAOYSA-N 0 0 409.898 4.383 50 30 HIEARN O=C(C=CNc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1)C(F)(F)F ZINC000003300729 845012507 /nfs/dbraw/zinc/01/25/07/845012507.db2.gz LCRRRJGZCOYZCG-ZHACJKMWSA-N 0 0 417.343 4.151 50 30 HIEARN N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)s2)cc1 ZINC000003360216 845013198 /nfs/dbraw/zinc/01/31/98/845013198.db2.gz LGVUOKBZPKMLBW-SOFGYWHQSA-N 0 0 422.491 4.083 50 30 HIEARN C#CCN(C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1)C1CCCCC1 ZINC000011840778 845837833 /nfs/dbraw/zinc/83/78/33/845837833.db2.gz KIMOMZFKEDAJRN-DEOSSOPVSA-N 0 0 412.599 4.175 50 30 HIEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cn(Cc2ccc(OC)cc2)nn1 ZINC000012073939 845851934 /nfs/dbraw/zinc/85/19/34/845851934.db2.gz PARAUHIWCUWFAK-QPPBQGQZSA-N 0 0 414.509 4.423 50 30 HIEARN Cc1nc(C)c(C(=O)C=Cc2cn(Cc3ccccc3)nc2-c2cccs2)c(=O)[nH]1 ZINC000012791105 845890394 /nfs/dbraw/zinc/89/03/94/845890394.db2.gz SOTXJNFYAYNCQC-ZHACJKMWSA-N 0 0 416.506 4.256 50 30 HIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc2[nH]c3ccccc3n21 ZINC000018189820 846307359 /nfs/dbraw/zinc/30/73/59/846307359.db2.gz WAJFIEVTWYJGMU-UNOMPAQXSA-N 0 0 403.511 4.183 50 30 HIEARN C=CCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033546487 848136408 /nfs/dbraw/zinc/13/64/08/848136408.db2.gz HWSPNPNBEMURKP-KHPPLWFESA-N 0 0 424.420 4.202 50 30 HIEARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3ccc(O)cc3)cc2)cc1 ZINC000096765408 852555041 /nfs/dbraw/zinc/55/50/41/852555041.db2.gz ZGGAFISKWZHYLO-TVPGTPATSA-N 0 0 409.463 4.098 50 30 HIEARN COc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OC(F)F ZINC000096765582 852555149 /nfs/dbraw/zinc/55/51/49/852555149.db2.gz GHLNWPGOMZWFFS-KXFIGUGUSA-N 0 0 407.388 4.168 50 30 HIEARN COc1cc(/C=C\C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc(OC)c1OC ZINC000096983466 852568043 /nfs/dbraw/zinc/56/80/43/852568043.db2.gz KKSMSTIAYGMMQO-QBFSEMIESA-N 0 0 414.461 4.159 50 30 HIEARN CCOc1ccc(/C=C\C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)cc1OC ZINC000097992497 852648037 /nfs/dbraw/zinc/64/80/37/852648037.db2.gz YXNRGOFEOAWEJZ-POHAHGRESA-N 0 0 412.505 4.271 50 30 HIEARN COc1cc(/C=C\C(=O)c2ccc(NC(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000098007452 852650994 /nfs/dbraw/zinc/65/09/94/852650994.db2.gz QAIPIUONYNVODM-YFHOEESVSA-N 0 0 413.430 4.038 50 30 HIEARN O=S(=O)(/N=C(/c1ccccc1)N1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000102937515 852666254 /nfs/dbraw/zinc/66/62/54/852666254.db2.gz RGKLKJNJAAEHLQ-LVWGJNHUSA-N 0 0 412.461 4.159 50 30 HIEARN COCCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccccc1F ZINC000254386166 854210369 /nfs/dbraw/zinc/21/03/69/854210369.db2.gz AWTIECJXVTYBJI-UHFFFAOYSA-N 0 0 421.444 4.386 50 30 HIEARN O=[N+]([O-])c1cc2c(cc1C=NN=c1[nH]c3ccccc3n1Cc1ccccc1)OCO2 ZINC000254441881 854211007 /nfs/dbraw/zinc/21/10/07/854211007.db2.gz DGWBLPXBEZYOSM-UHFFFAOYSA-N 0 0 415.409 4.168 50 30 HIEARN COc1cccc(C=Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c1O ZINC000254488556 854211917 /nfs/dbraw/zinc/21/19/17/854211917.db2.gz LHIWTPSIRAVAEV-UHFFFAOYSA-N 0 0 414.458 4.400 50 30 HIEARN CCOC(=O)C(N=Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000254450996 854212033 /nfs/dbraw/zinc/21/20/33/854212033.db2.gz YFXCJWRVZIUNEI-UHFFFAOYSA-N 0 0 417.421 4.476 50 30 HIEARN COc1cc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)ccc1OC(F)F ZINC000254565467 854212400 /nfs/dbraw/zinc/21/24/00/854212400.db2.gz DSWPLWSNBZBOAH-UONOGXRCSA-N 0 0 404.413 4.013 50 30 HIEARN CCOc1ccc(Oc2c(C=Nn3c(C)nnc3C)c(C)nn2-c2ccccc2)cc1 ZINC000254765568 854214278 /nfs/dbraw/zinc/21/42/78/854214278.db2.gz FBKVQGDZGPUEOT-UHFFFAOYSA-N 0 0 416.485 4.462 50 30 HIEARN Cc1ccc(OCc2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000000646647 132229945 /nfs/dbraw/zinc/22/99/45/132229945.db2.gz AWFFBWZJRWPMMJ-UHFFFAOYSA-N 0 0 408.889 4.414 50 30 HIEARN C[C@@H]1C(=O)N(Cc2cccc(C#N)c2)c2ccccc2N1C(=O)c1c(F)cccc1F ZINC000001385979 132245551 /nfs/dbraw/zinc/24/55/51/132245551.db2.gz INXUEIYPACZFLN-OAHLLOKOSA-N 0 0 417.415 4.419 50 30 HIEARN N#Cc1cc(F)c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1Cl ZINC000004622464 132280316 /nfs/dbraw/zinc/28/03/16/132280316.db2.gz YBFWYDGKIAVJFV-UHFFFAOYSA-N 0 0 401.913 4.216 50 30 HIEARN O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008018313 132326993 /nfs/dbraw/zinc/32/69/93/132326993.db2.gz JTOKJXBHSKFVCK-UHFFFAOYSA-N 0 0 424.291 4.363 50 30 HIEARN CCCc1ccc([C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(C)C)cc1 ZINC000024527782 132483522 /nfs/dbraw/zinc/48/35/22/132483522.db2.gz BNUYKXTZYVZDNX-JOCHJYFZSA-N 0 0 405.546 4.135 50 30 HIEARN N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccco4)cc3)C2=O)c1 ZINC000034734267 132797106 /nfs/dbraw/zinc/79/71/06/132797106.db2.gz HGQVROJJAMMLBJ-UHFFFAOYSA-N 0 0 400.438 4.236 50 30 HIEARN C#CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2cccc(C)c21 ZINC000032104632 518266425 /nfs/dbraw/zinc/26/64/25/518266425.db2.gz YJEJVHXVKPWQHT-HSZRJFAPSA-N 0 0 416.868 4.092 50 30 HIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(OC)cc2OC)cc1 ZINC000040268077 518331221 /nfs/dbraw/zinc/33/12/21/518331221.db2.gz ZVBUMAQVNHLFOE-GOSISDBHSA-N 0 0 403.438 4.025 50 30 HIEARN C=CCN(C(=O)c1ccc(Cl)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000036003734 518738692 /nfs/dbraw/zinc/73/86/92/518738692.db2.gz ZJOUMFRKRUVSKT-OAHLLOKOSA-N 0 0 416.905 4.361 50 30 HIEARN C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 ZINC000001150020 518844379 /nfs/dbraw/zinc/84/43/79/518844379.db2.gz QSTARTAKBZJKEE-LJQANCHMSA-N 0 0 420.690 4.096 50 30 HIEARN C=CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)COc2ccccc2)cc1 ZINC000037557013 518901903 /nfs/dbraw/zinc/90/19/03/518901903.db2.gz XFQPXTZTGKIMLU-UHFFFAOYSA-N 0 0 414.505 4.144 50 30 HIEARN C=CCO[C@H](CN1CCN(C(=O)CCC2CCCC2)CC1)c1cccc(OC)c1 ZINC000034915500 518999941 /nfs/dbraw/zinc/99/99/41/518999941.db2.gz MVHNOMDOMVNCTN-HSZRJFAPSA-N 0 0 400.563 4.054 50 30 HIEARN C=CCOc1ccc(C(=O)c2ccccc2)c(OCC(=O)NCc2ccc(F)cc2)c1 ZINC000009578515 519028112 /nfs/dbraw/zinc/02/81/12/519028112.db2.gz ZDJJROPZRFQORF-UHFFFAOYSA-N 0 0 419.452 4.317 50 30 HIEARN CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000032575572 519043797 /nfs/dbraw/zinc/04/37/97/519043797.db2.gz OULOCUYWSUXQHN-QRVIBDJDSA-N 0 0 416.934 4.340 50 30 HIEARN C=CCn1c(=O)c2c(ncn2Cc2ccccc2C)n(-c2ccc(C(C)C)cc2)c1=O ZINC000037559364 519157462 /nfs/dbraw/zinc/15/74/62/519157462.db2.gz ZZPYDNGVMQJZOF-UHFFFAOYSA-N 0 0 414.509 4.015 50 30 HIEARN C=CCn1c(=O)c2cc(Cl)ccc2nc1SCC[S@](=O)c1ccccc1 ZINC000032934986 519159201 /nfs/dbraw/zinc/15/92/01/519159201.db2.gz AELURVRWKRFIER-AREMUKBSSA-N 0 0 404.944 4.136 50 30 HIEARN C=CCn1c(COc2ccc(F)cc2)nnc1SCC[S@](=O)c1ccccc1 ZINC000032933411 519187968 /nfs/dbraw/zinc/18/79/68/519187968.db2.gz BVPZUVMRYQYWDL-MUUNZHRXSA-N 0 0 417.531 4.082 50 30 HIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(OC)c(O)c(OC)c3)c12 ZINC000009644039 519266008 /nfs/dbraw/zinc/26/60/08/519266008.db2.gz DBEXYJZJMJUGAE-ZHACJKMWSA-N 0 0 417.465 4.402 50 30 HIEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102401935 519839305 /nfs/dbraw/zinc/83/93/05/519839305.db2.gz RCRRFVAJLGHSBE-JBCNATCCSA-N 0 0 402.450 4.420 50 30 HIEARN CCCOc1ccc(Br)cc1C(=O)N=C(N)NC1CCCCCCC1 ZINC000071775203 520323076 /nfs/dbraw/zinc/32/30/76/520323076.db2.gz IJIHVXKTWGWSMP-UHFFFAOYSA-N 0 0 410.356 4.395 50 30 HIEARN CCCCN(C)c1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000032682601 520438088 /nfs/dbraw/zinc/43/80/88/520438088.db2.gz CDWCKMUPQUPQGS-HXUWFJFHSA-N 0 0 408.527 4.213 50 30 HIEARN CCCCN(C)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032682607 520439216 /nfs/dbraw/zinc/43/92/16/520439216.db2.gz KANBHARSQWPVEJ-IBGZPJMESA-N 0 0 412.490 4.044 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)cc1 ZINC000027533206 520529563 /nfs/dbraw/zinc/52/95/63/520529563.db2.gz PAKUCNMIPVLQEX-WIYYLYMNSA-N 0 0 403.478 4.243 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cc3cccc(OC)c3o2)C1=O ZINC000096919990 520536475 /nfs/dbraw/zinc/53/64/75/520536475.db2.gz AMFLMBNKIOCFOL-AQTBWJFISA-N 0 0 405.406 4.268 50 30 HIEARN CCOc1cc(/C=C2/CCc3c(C)cc(C)cc3C2=O)ccc1OCC(=O)N(C)C ZINC000033434496 520622617 /nfs/dbraw/zinc/62/26/17/520622617.db2.gz PPJRWSNYIRFXSI-UYRXBGFRSA-N 0 0 407.510 4.382 50 30 HIEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccc(N(CC)CC)cc2)cc1 ZINC000006871795 520823439 /nfs/dbraw/zinc/82/34/39/520823439.db2.gz INWMRGTTZSHYGM-PXLXIMEGSA-N 0 0 410.547 4.056 50 30 HIEARN CCOC(=O)c1cc(C#N)c(N2CCN(c3ccccc3)CC2)nc1-c1ccccc1 ZINC000020365497 521426319 /nfs/dbraw/zinc/42/63/19/521426319.db2.gz AVSWNTGYMJDHKM-UHFFFAOYSA-N 0 0 412.493 4.124 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2ccccc2OC)c(C)n1 ZINC000032972958 521650674 /nfs/dbraw/zinc/65/06/74/521650674.db2.gz AIHOFUXQPILRBP-UHFFFAOYSA-N 0 0 423.492 4.147 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1cccc(F)c1)NCCc1c(C)nn(C)c1C ZINC000032973654 521850924 /nfs/dbraw/zinc/85/09/24/521850924.db2.gz DZGBKMOTHQRMEJ-UHFFFAOYSA-N 0 0 421.520 4.179 50 30 HIEARN COc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OCCCC#N ZINC000008442383 521891749 /nfs/dbraw/zinc/89/17/49/521891749.db2.gz JHAUDXIYBTWHIT-UHFFFAOYSA-N 0 0 422.448 4.171 50 30 HIEARN COC(=O)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019535623 522172164 /nfs/dbraw/zinc/17/21/64/522172164.db2.gz XNGHNRIBAPIHCW-QFIPXVFZSA-N 0 0 423.509 4.317 50 30 HIEARN COc1cc(I)c(Cl)cc1C(=O)Nc1sccc1C#N ZINC000031876652 522617210 /nfs/dbraw/zinc/61/72/10/522617210.db2.gz IIXJJGXOPVAUAP-UHFFFAOYSA-N 0 0 418.643 4.139 50 30 HIEARN COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)c1 ZINC000040267431 522887097 /nfs/dbraw/zinc/88/70/97/522887097.db2.gz RPLPAYNXLYNSPB-SPLOXXLWSA-N 0 0 418.453 4.066 50 30 HIEARN COc1ccc(/C=C/C(=O)c2ccc(I)cc2)c(OC)c1OC ZINC000008440167 523398575 /nfs/dbraw/zinc/39/85/75/523398575.db2.gz FGDUOWAMPRTBGW-UXBLZVDNSA-N 0 0 424.234 4.213 50 30 HIEARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccc(C#N)cc1 ZINC000032716927 523488733 /nfs/dbraw/zinc/48/87/33/523488733.db2.gz CDJAHKIGMSKHTN-UHFFFAOYSA-N 0 0 422.488 4.448 50 30 HIEARN COc1ccc(C(=O)C=CNc2ccccc2I)c(OC)c1 ZINC000015684513 523539973 /nfs/dbraw/zinc/53/99/73/523539973.db2.gz JUAMAJAXAWDDPX-MDZDMXLPSA-N 0 0 409.223 4.117 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(F)cc2)Nc2ccccc2OC)c1C ZINC000032972069 523639588 /nfs/dbraw/zinc/63/95/88/523639588.db2.gz OZOGMKRKOPPVIA-UHFFFAOYSA-N 0 0 423.492 4.066 50 30 HIEARN COc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1 ZINC000032984324 524401017 /nfs/dbraw/zinc/40/10/17/524401017.db2.gz CXSFYPAZCCDZNI-UHFFFAOYSA-N 0 0 409.438 4.484 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CCC2 ZINC000027546964 524803261 /nfs/dbraw/zinc/80/32/61/524803261.db2.gz XRNDELJBCPSHKK-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN C[C@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)o1 ZINC000008991536 524856142 /nfs/dbraw/zinc/85/61/42/524856142.db2.gz OKCNWBDKJUXBBA-OAPRFOFOSA-N 0 0 420.490 4.226 50 30 HIEARN C[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 ZINC000008990568 524967637 /nfs/dbraw/zinc/96/76/37/524967637.db2.gz XVAFXYFJCVMTQN-KHHGAOOBSA-N 0 0 420.490 4.226 50 30 HIEARN COc1cccc(/N=C2\S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)c1 ZINC000100369478 525780150 /nfs/dbraw/zinc/78/01/50/525780150.db2.gz DIHRNRVTJYJMFG-HLGQQVFSSA-N 0 0 417.918 4.247 50 30 HIEARN Cc1c2c(ccc1OCC(=O)OC(C)C)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182732 525932777 /nfs/dbraw/zinc/93/27/77/525932777.db2.gz BPGQKOGHBQOWTD-NHDPSOOVSA-N 0 0 405.450 4.433 50 30 HIEARN CSc1cccc(NC(=NC(=O)c2cccc(C)c2)NCc2c(C)nn(C)c2C)c1 ZINC000032972478 526106163 /nfs/dbraw/zinc/10/61/63/526106163.db2.gz LGKLSANOSNWFIV-UHFFFAOYSA-N 0 0 421.570 4.465 50 30 HIEARN C[C@H]1CCCCN1S(=O)(=O)c1ccc2nc(Nc3ccc(C#N)cc3)ccc2c1 ZINC000032943637 526253056 /nfs/dbraw/zinc/25/30/56/526253056.db2.gz HULNZRPTAPULGZ-INIZCTEOSA-N 0 0 406.511 4.413 50 30 HIEARN N#CCCSc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000095953407 526464160 /nfs/dbraw/zinc/46/41/60/526464160.db2.gz BWVOIEGNJGALKX-SFHVURJKSA-N 0 0 405.523 4.173 50 30 HIEARN N#C[C@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1 ZINC000032682206 526509004 /nfs/dbraw/zinc/50/90/04/526509004.db2.gz NCPLCZKQXIXGTD-SFHVURJKSA-N 0 0 411.870 4.026 50 30 HIEARN Cc1nc(-c2ccsc2)sc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N ZINC000032777464 526620020 /nfs/dbraw/zinc/62/00/20/526620020.db2.gz HJOBMXKPTVOKHL-JTQLQIEISA-N 0 0 403.510 4.297 50 30 HIEARN N#Cc1ccccc1NC(=O)COC(=O)c1ccc(SCc2cscn2)cc1 ZINC000032902173 526742613 /nfs/dbraw/zinc/74/26/13/526742613.db2.gz LVHFXZSJLBDRRR-UHFFFAOYSA-N 0 0 409.492 4.103 50 30 HIEARN O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1 ZINC000015188759 526949144 /nfs/dbraw/zinc/94/91/44/526949144.db2.gz IVBLMNULGYCEJC-PNHLSOANSA-N 0 0 414.484 4.073 50 30 HIEARN O=C1CCCC2=Nc3nc(-c4ccco4)nn3[C@@H](c3cccc(Br)c3)C12 ZINC000012469227 526969366 /nfs/dbraw/zinc/96/93/66/526969366.db2.gz VFXICYCBRLWNBW-KRWDZBQOSA-N 0 0 411.259 4.323 50 30 HIEARN OC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095671162 527600290 /nfs/dbraw/zinc/60/02/90/527600290.db2.gz XKYXNXAJMRFZSX-UWTATZPHSA-N 0 0 416.080 4.284 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(C)cc1)Nc1ccc(C)cc1 ZINC000032973599 527621868 /nfs/dbraw/zinc/62/18/68/527621868.db2.gz AVUOVBNFFPMWEI-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccccc1 ZINC000032973491 527621920 /nfs/dbraw/zinc/62/19/20/527621920.db2.gz VUIMJWNCARLOFG-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(F)cc1)Nc1cc(C)ccc1C ZINC000032973578 527622596 /nfs/dbraw/zinc/62/25/96/527622596.db2.gz PFCQNAJWOKPREW-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(C)c1)Nc1cccc(Cl)c1 ZINC000032972472 527629636 /nfs/dbraw/zinc/62/96/36/527629636.db2.gz JPNTWNNHNRUJTO-UHFFFAOYSA-N 0 0 409.921 4.397 50 30 HIEARN O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033759323 527658168 /nfs/dbraw/zinc/65/81/68/527658168.db2.gz MUMORWSGJQAVHM-XFXZXTDPSA-N 0 0 409.429 4.386 50 30 HIEARN Cc1c(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000704512 557063352 /nfs/dbraw/zinc/06/33/52/557063352.db2.gz OFMJGBYDRDNFHT-YZSQISJMSA-N 0 0 411.461 4.454 50 30 HIEARN COc1cc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)cc(OC)c1OC ZINC000000710381 557065747 /nfs/dbraw/zinc/06/57/47/557065747.db2.gz TWAATWSGJHQTMY-WYMPLXKRSA-N 0 0 421.478 4.033 50 30 HIEARN COc1ccc(-n2c(NN=C(C)C)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000000985777 557132198 /nfs/dbraw/zinc/13/21/98/557132198.db2.gz KSYGCVCGDXWYNP-UHFFFAOYSA-N 0 0 412.515 4.115 50 30 HIEARN Cc1cc(NC(=S)N/N=C/c2coc3ccccc3c2=O)ccc1Br ZINC000001042433 557154042 /nfs/dbraw/zinc/15/40/42/557154042.db2.gz TVQCXZXKYADKRP-AWQFTUOYSA-N 0 0 416.300 4.184 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccccn1 ZINC000001131177 557198489 /nfs/dbraw/zinc/19/84/89/557198489.db2.gz NLGXSRAGUXTLET-OSPHWJPCSA-N 0 0 418.493 4.015 50 30 HIEARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000001202894 557240025 /nfs/dbraw/zinc/24/00/25/557240025.db2.gz ZSVXXHYMGRQADR-LFVJCYFKSA-N 0 0 416.506 4.160 50 30 HIEARN COc1ccccc1N1CCN(/N=C/C(Br)=C/c2ccccc2)CC1 ZINC000001898077 557295168 /nfs/dbraw/zinc/29/51/68/557295168.db2.gz RKHCTWJGYKCZRD-MXXLVYNCSA-N 0 0 400.320 4.239 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000002057146 557303245 /nfs/dbraw/zinc/30/32/45/557303245.db2.gz RVVZCQCPKGTXRR-IBGZPJMESA-N 0 0 403.906 4.134 50 30 HIEARN O=C(Nc1ccccc1)[C@H]1CC(=O)NC(Nc2ccc(Oc3ccccc3)cc2)=N1 ZINC000002208576 557326911 /nfs/dbraw/zinc/32/69/11/557326911.db2.gz AOOUPFHAFJGAJT-HXUWFJFHSA-N 0 0 400.438 4.424 50 30 HIEARN COc1ccc(Cl)cc1NC(=Nc1nc(C)cc(C)n1)NC(=O)c1cccs1 ZINC000002262272 557332436 /nfs/dbraw/zinc/33/24/36/557332436.db2.gz GRRVQOYHWDXMGK-UHFFFAOYSA-N 0 0 415.906 4.347 50 30 HIEARN O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccc2c(c1)OCCO2 ZINC000002323083 557337204 /nfs/dbraw/zinc/33/72/04/557337204.db2.gz BWZTUCLEQOOEHR-RPWUZVMVSA-N 0 0 406.409 4.499 50 30 HIEARN O=C(c1cc(F)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc2c(c1)OCCO2 ZINC000002323089 557337222 /nfs/dbraw/zinc/33/72/22/557337222.db2.gz BWZTUCLEQOOEHR-BJKOFHAPSA-N 0 0 406.409 4.499 50 30 HIEARN Cc1cccc(NC(=O)c2c(N)n(/N=C/c3cccnc3)c3nc4ccccc4nc32)c1 ZINC000002372289 557341625 /nfs/dbraw/zinc/34/16/25/557341625.db2.gz SKVXFDYLJZEPFV-MZJWZYIUSA-N 0 0 421.464 4.005 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000002727159 557371134 /nfs/dbraw/zinc/37/11/34/557371134.db2.gz RGNNLTQJLZEKOD-NRFANRHFSA-N 0 0 414.571 4.017 50 30 HIEARN CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccsc1 ZINC000002775963 557385537 /nfs/dbraw/zinc/38/55/37/557385537.db2.gz GFIUKWINOSUXAA-IBGZPJMESA-N 0 0 403.544 4.322 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000002776173 557385543 /nfs/dbraw/zinc/38/55/43/557385543.db2.gz HCSOTTWQJMKTSE-OAQYLSRUSA-N 0 0 409.507 4.338 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 ZINC000002779954 557386612 /nfs/dbraw/zinc/38/66/12/557386612.db2.gz LYEGTOFGVRUPNZ-HXUWFJFHSA-N 0 0 415.555 4.293 50 30 HIEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002801374 557390862 /nfs/dbraw/zinc/39/08/62/557390862.db2.gz PFFSSAAWKDTQQT-OAQYLSRUSA-N 0 0 423.513 4.211 50 30 HIEARN C=CCSC1=N/C(=C\c2cc(OC)c(OC)cc2Br)C(=O)S1 ZINC000003001796 557440052 /nfs/dbraw/zinc/44/00/52/557440052.db2.gz MOTJNHHAAUDGOW-WDZFZDKYSA-N 0 0 400.319 4.356 50 30 HIEARN O=S1(=O)OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccccc21 ZINC000003861447 557501429 /nfs/dbraw/zinc/50/14/29/557501429.db2.gz WWAABJGNHFGXSJ-UHFFFAOYSA-N 0 0 423.273 4.415 50 30 endogenous,in-man HIEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000004014913 557505333 /nfs/dbraw/zinc/50/53/33/557505333.db2.gz CHDCBILKDYWOOU-OAQYLSRUSA-N 0 0 416.433 4.018 50 30 HIEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000004014914 557505357 /nfs/dbraw/zinc/50/53/57/557505357.db2.gz CHDCBILKDYWOOU-NRFANRHFSA-N 0 0 416.433 4.018 50 30 HIEARN Oc1ccc(Br)cc1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000004527970 557563910 /nfs/dbraw/zinc/56/39/10/557563910.db2.gz IVPIUFMCWAHSQR-ODCIPOBUSA-N 0 0 403.305 4.484 50 30 HIEARN O=C(/C=C/c1ccccc1Br)c1cc(Br)ccc(=O)c1O ZINC000004667469 557579074 /nfs/dbraw/zinc/57/90/74/557579074.db2.gz LEAQETLBYZMXHP-FNORWQNLSA-N 0 0 410.061 4.174 50 30 HIEARN COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(F)c(Cl)c2)cc1OC ZINC000004709060 557585481 /nfs/dbraw/zinc/58/54/81/557585481.db2.gz HWUNONZSHLFULB-QOCHGBHMSA-N 0 0 408.882 4.302 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(SC)cc2)cc1OC ZINC000004914341 557613382 /nfs/dbraw/zinc/61/33/82/557613382.db2.gz KHSWXJNFRHQXBI-WMZOPIPTSA-N 0 0 423.534 4.430 50 30 HIEARN CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000004915205 557613598 /nfs/dbraw/zinc/61/35/98/557613598.db2.gz UHMNMEOISKSDRK-IEBWSBKVSA-N 0 0 421.493 4.107 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1 ZINC000005490544 557657236 /nfs/dbraw/zinc/65/72/36/557657236.db2.gz PTYSQJROJTUCIN-NRFANRHFSA-N 0 0 402.425 4.308 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005595983 557664343 /nfs/dbraw/zinc/66/43/43/557664343.db2.gz GAFLVESTUGJJRT-OAQYLSRUSA-N 0 0 414.417 4.373 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000006564494 557708202 /nfs/dbraw/zinc/70/82/02/557708202.db2.gz RJZBPGYCHGBPCB-LJQANCHMSA-N 0 0 415.873 4.433 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000006691031 557715312 /nfs/dbraw/zinc/71/53/12/557715312.db2.gz OHKWUMRDWBXIFC-YOEHRIQHSA-N 0 0 403.887 4.159 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006813894 557724638 /nfs/dbraw/zinc/72/46/38/557724638.db2.gz SAWIJWZEUOWCSO-OAQYLSRUSA-N 0 0 414.417 4.373 50 30 HIEARN COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1OC ZINC000006819544 557725068 /nfs/dbraw/zinc/72/50/68/557725068.db2.gz MUVIQNKLKDPARV-HOCLYGCPSA-N 0 0 411.885 4.362 50 30 HIEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1OC ZINC000006819530 557725080 /nfs/dbraw/zinc/72/50/80/557725080.db2.gz LWWDEZFVXQNFRJ-CZUORRHYSA-N 0 0 411.885 4.362 50 30 HIEARN Cc1ccccc1OCc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)o1 ZINC000002797745 557761928 /nfs/dbraw/zinc/76/19/28/557761928.db2.gz XWLZKXYEYLOFMG-ZMOGYAJESA-N 0 0 418.453 4.174 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005800683 557796185 /nfs/dbraw/zinc/79/61/85/557796185.db2.gz QFJAGEJDWAYSPY-GOSISDBHSA-N 0 0 405.841 4.221 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009013792 557819441 /nfs/dbraw/zinc/81/94/41/557819441.db2.gz RVXOMPOZQSKCQA-HXUWFJFHSA-N 0 0 400.390 4.378 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019770492 558279374 /nfs/dbraw/zinc/27/93/74/558279374.db2.gz ZODWQFAIAWXTOV-HOYKHHGWSA-N 0 0 402.494 4.395 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(OC)c1 ZINC000019810889 558286885 /nfs/dbraw/zinc/28/68/85/558286885.db2.gz SJTIEWCWKFTFRQ-BTYIYWSLSA-N 0 0 409.507 4.291 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(OC)c1 ZINC000019810892 558286952 /nfs/dbraw/zinc/28/69/52/558286952.db2.gz SJTIEWCWKFTFRQ-QVKFZJNVSA-N 0 0 409.507 4.291 50 30 HIEARN NC(CSc1ccc(Cl)cc1)=NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000020413257 558360835 /nfs/dbraw/zinc/36/08/35/558360835.db2.gz UJAGGJPEUDKZCX-UHFFFAOYSA-N 0 0 409.747 4.485 50 30 HIEARN COc1ccc(N(Cc2ccc(C#N)cc2F)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000010852622 558504885 /nfs/dbraw/zinc/50/48/85/558504885.db2.gz OGCMARIAHDUPOE-UHFFFAOYSA-N 0 0 410.470 4.410 50 30 HIEARN COc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CCC1)[C@H]3c1ccccc1 ZINC000013575495 558543405 /nfs/dbraw/zinc/54/34/05/558543405.db2.gz CSYFNZORJONEHW-HXUWFJFHSA-N 0 0 424.460 4.331 50 30 HIEARN COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1cccnc1)C3=O ZINC000013722697 558582714 /nfs/dbraw/zinc/58/27/14/558582714.db2.gz DJSFFOORSWSRSL-JJFYIABZSA-N 0 0 400.434 4.059 50 30 HIEARN CCc1ccc(S(=O)(=O)/N=C2\S/C(=C\c3ccccc3F)C(=O)N2CC)cc1 ZINC000013843764 558597560 /nfs/dbraw/zinc/59/75/60/558597560.db2.gz RPVBXGGZIBQJIK-GTFONSFASA-N 0 0 418.515 4.069 50 30 HIEARN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000013898913 558600992 /nfs/dbraw/zinc/60/09/92/558600992.db2.gz RSQOTFQJPABPJL-XTQSDGFTSA-N 0 0 420.381 4.139 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1ncc(-c3ccccc3)nn1)CCCC2 ZINC000004488029 558601145 /nfs/dbraw/zinc/60/11/45/558601145.db2.gz QBWMTYWYHRFKSY-UHFFFAOYSA-N 0 0 407.524 4.081 50 30 HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc(OC)c3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 ZINC000004499410 558612452 /nfs/dbraw/zinc/61/24/52/558612452.db2.gz UQUFJDYZUMDJJW-CCDWMCETSA-N 0 0 423.509 4.103 50 30 HIEARN C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@H]3c3ccccc3F)n2)n[nH]c1=S ZINC000069928872 558622143 /nfs/dbraw/zinc/62/21/43/558622143.db2.gz BTJCKODXXYNEDZ-UONOGXRCSA-N 0 0 415.519 4.055 50 30 HIEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000004551230 558703921 /nfs/dbraw/zinc/70/39/21/558703921.db2.gz OHVVKFSPDNEVGZ-UHFFFAOYSA-N 0 0 413.429 4.175 50 30 HIEARN CC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc([C@H](C)CC)cc1 ZINC000017082912 558815372 /nfs/dbraw/zinc/81/53/72/558815372.db2.gz UNMSFMDUYTVQNO-GTOLFZDISA-N 0 0 404.532 4.310 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000017147131 558824058 /nfs/dbraw/zinc/82/40/58/558824058.db2.gz CIXXBWPOZSPDMG-FQEVSTJZSA-N 0 0 415.405 4.081 50 30 HIEARN CCOc1ccc(N2C(=O)C[C@H](SC(=NC)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000018194243 558833101 /nfs/dbraw/zinc/83/31/01/558833101.db2.gz ZCVSDEWMRUNOQU-KRWDZBQOSA-N 0 0 417.918 4.011 50 30 HIEARN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OC ZINC000004600056 558835503 /nfs/dbraw/zinc/83/55/03/558835503.db2.gz XIWZYGMAGUORDT-FYJGNVAPSA-N 0 0 405.292 4.054 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000013570841 558844681 /nfs/dbraw/zinc/84/46/81/558844681.db2.gz HTTPHXPKRWGCPV-FQEVSTJZSA-N 0 0 404.422 4.083 50 30 HIEARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2)cc1 ZINC000033122844 558879376 /nfs/dbraw/zinc/87/93/76/558879376.db2.gz AMSWDPUUQIHAMN-UHFFFAOYSA-N 0 0 416.462 4.385 50 30 HIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1OC ZINC000004684720 558895271 /nfs/dbraw/zinc/89/52/71/558895271.db2.gz IKLILXTUHUWGJT-NRFANRHFSA-N 0 0 405.454 4.072 50 30 HIEARN O=CN(/C=C1\Sc2ccccc2C1=O)c1ccccc1I ZINC000004689523 558899357 /nfs/dbraw/zinc/89/93/57/558899357.db2.gz JFYVVKOKYNJQBJ-DHDCSXOGSA-N 0 0 407.232 4.084 50 30 HIEARN CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC#N ZINC000004689739 558899619 /nfs/dbraw/zinc/89/96/19/558899619.db2.gz WDPGXTAALCHHAC-CPNJWEJPSA-N 0 0 410.520 4.389 50 30 HIEARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CN(CC2CC2)C/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000058162644 558906276 /nfs/dbraw/zinc/90/62/76/558906276.db2.gz ZOXHABRPYOYZME-KFSYKRRRSA-N 0 0 419.437 4.265 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000019535657 558913770 /nfs/dbraw/zinc/91/37/70/558913770.db2.gz KPDUHHGDYXEYCL-HSZRJFAPSA-N 0 0 403.478 4.407 50 30 HIEARN COC(=O)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019535810 558913785 /nfs/dbraw/zinc/91/37/85/558913785.db2.gz FVGAJYSGWWZLTP-FQEVSTJZSA-N 0 0 411.498 4.029 50 30 HIEARN OC(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000060272606 558941980 /nfs/dbraw/zinc/94/19/80/558941980.db2.gz YTJDSANDEZLYOU-UHFFFAOYSA-N 0 0 410.154 4.311 50 30 HIEARN CN1C(=CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)N[C@H]2C=CC=C[C@H]21 ZINC000019595397 558946109 /nfs/dbraw/zinc/94/61/09/558946109.db2.gz VAFWWWKBPITWEN-QKQINCMDSA-N 0 0 406.493 4.415 50 30 HIEARN Cc1c(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)sc2[nH]c(C)nc(=O)c12 ZINC000022413676 558990692 /nfs/dbraw/zinc/99/06/92/558990692.db2.gz PWCHOSKDOTVSKC-UHFFFAOYSA-N 0 0 415.474 4.497 50 30 HIEARN COc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(OC)cc3)=C(Cl)C2=O)cc1 ZINC000001577910 559006523 /nfs/dbraw/zinc/00/65/23/559006523.db2.gz MVLKRVADQLKKGD-UHFFFAOYSA-N 0 0 419.264 4.280 50 30 HIEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br ZINC000011400016 559070103 /nfs/dbraw/zinc/07/01/03/559070103.db2.gz UEVSRYZEWUUIPW-SNVBAGLBSA-N 0 0 424.092 4.489 50 30 HIEARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000011398570 559070504 /nfs/dbraw/zinc/07/05/04/559070504.db2.gz QBDRSKQQGWFPGF-INIZCTEOSA-N 0 0 417.465 4.383 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(OC)cc1 ZINC000004814778 559077399 /nfs/dbraw/zinc/07/73/99/559077399.db2.gz XDQYVTSKXSBXEI-ZDUSSCGKSA-N 0 0 415.544 4.024 50 30 HIEARN CC1(C)CC(=O)C(C(c2cccc([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100032048 559128820 /nfs/dbraw/zinc/12/88/20/559128820.db2.gz CFBWCJXUJAXVIT-LJQANCHMSA-N 0 0 413.470 4.454 50 30 HIEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]Cc1ccc(OC)cc1 ZINC000100163123 559131343 /nfs/dbraw/zinc/13/13/43/559131343.db2.gz QXUHIYCUWQWESL-OEAKJJBVSA-N 0 0 406.511 4.356 50 30 HIEARN Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(Br)C(=O)c3ccccc32)c(C)c1 ZINC000100823057 559141174 /nfs/dbraw/zinc/14/11/74/559141174.db2.gz LOYOBXXMALEPAS-FXBPSFAMSA-N 0 0 418.312 4.265 50 30 HIEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(Br)cc1 ZINC000101662399 559147676 /nfs/dbraw/zinc/14/76/76/559147676.db2.gz KXEFEMMWMJDIHH-OBAOGOGRSA-N 0 0 418.316 4.039 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)c3ccccc3Nc3ccc(F)cc3)CC2)cc1 ZINC000023436589 559174333 /nfs/dbraw/zinc/17/43/33/559174333.db2.gz LOJUJLSLICUSJS-UHFFFAOYSA-N 0 0 414.484 4.399 50 30 HIEARN COc1cc(C(=O)OCC(=O)Nc2c(C#N)oc3ccccc32)ccc1OCC(C)C ZINC000023470484 559176311 /nfs/dbraw/zinc/17/63/11/559176311.db2.gz JZCFMHINXJNGMU-UHFFFAOYSA-N 0 0 422.437 4.143 50 30 HIEARN Cc1cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2c2ccccc12 ZINC000004843530 559177296 /nfs/dbraw/zinc/17/72/96/559177296.db2.gz VCZDIDOSXHNCHL-UHFFFAOYSA-N 0 0 407.886 4.447 50 30 HIEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000023873357 559181472 /nfs/dbraw/zinc/18/14/72/559181472.db2.gz KONCMWYSICIJES-UHFFFAOYSA-N 0 0 411.505 4.062 50 30 HIEARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)no2)cc1OC ZINC000004880934 559196538 /nfs/dbraw/zinc/19/65/38/559196538.db2.gz XVDUYOGBHGLPQF-UHFFFAOYSA-N 0 0 409.467 4.423 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000100439721 559200712 /nfs/dbraw/zinc/20/07/12/559200712.db2.gz MEVCANHLQJVZSI-NHFXJNLRSA-N 0 0 400.390 4.221 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000100439809 559200863 /nfs/dbraw/zinc/20/08/63/559200863.db2.gz PEKIGJNGQCCZOM-YDJIHCHBSA-N 0 0 400.390 4.221 50 30 HIEARN CN(C)c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000004915905 559204036 /nfs/dbraw/zinc/20/40/36/559204036.db2.gz ADGYLAQWKIOZTP-CJLVFECKSA-N 0 0 418.518 4.181 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)ccc1OC ZINC000004919297 559204720 /nfs/dbraw/zinc/20/47/20/559204720.db2.gz VIDAJWHJCDKWMS-NZQKXSOJSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000004919745 559204722 /nfs/dbraw/zinc/20/47/22/559204722.db2.gz UDDBGFGIXKNNJO-XXBNENTESA-N 0 0 410.466 4.032 50 30 HIEARN Cc1cc(C)c(C#N)c(SC[C@H](O)C[S@](=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000004978408 559220357 /nfs/dbraw/zinc/22/03/57/559220357.db2.gz FLRDSWCWZAJOGJ-CBZJRKILSA-N 0 0 402.585 4.128 50 30 HIEARN COc1ccc([C@@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)c(OC)c1OC ZINC000004973892 559221413 /nfs/dbraw/zinc/22/14/13/559221413.db2.gz PDDXDBIOVRONDY-YSHWNQIMSA-N 0 0 420.509 4.245 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F ZINC000004993256 559225381 /nfs/dbraw/zinc/22/53/81/559225381.db2.gz RASNDGGBVHMQRS-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc([N+](=O)[O-])cn1)C(=O)c1ccccc1-2 ZINC000100752547 559262569 /nfs/dbraw/zinc/26/25/69/559262569.db2.gz QJBMSGZADXGWPX-WJDWOHSUSA-N 0 0 419.393 4.384 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1ccc(O)cc1 ZINC000100819803 559269541 /nfs/dbraw/zinc/26/95/41/559269541.db2.gz CZUXWLKNPRYACQ-OLRQPGBRSA-N 0 0 415.902 4.192 50 30 HIEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000005179200 559289342 /nfs/dbraw/zinc/28/93/42/559289342.db2.gz KMGBEPGWCGJEPM-JWHLFPLYSA-N 0 0 403.228 4.006 50 30 HIEARN C=CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F ZINC000005224718 560545759 /nfs/dbraw/zinc/54/57/59/560545759.db2.gz MNWMEIFJSLIDLB-UHFFFAOYSA-N 0 0 401.463 4.377 50 30 HIEARN Oc1cccc(-c2cs/c(=N/N=C/c3ccc(O)cc3O)n2-c2ccccc2)c1 ZINC000005242408 560549681 /nfs/dbraw/zinc/54/96/81/560549681.db2.gz HDZIZGATXXDGDE-BXBPIDJQSA-N 0 0 403.463 4.257 50 30 HIEARN COC(=O)/C=C1/S/C(=N/C2CCCCC2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000005274640 560561499 /nfs/dbraw/zinc/56/14/99/560561499.db2.gz BKGGVTJSOOXJKG-BBWXTVSKSA-N 0 0 411.527 4.031 50 30 HIEARN CCCCOc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1OC ZINC000005318701 560564105 /nfs/dbraw/zinc/56/41/05/560564105.db2.gz TXUXUFPNOIVSMR-UHFFFAOYSA-N 0 0 415.453 4.194 50 30 HIEARN N#Cc1cnn2c1ncc1c(C/C=N/OCc3ccc(Cl)cc3Cl)nccc12 ZINC000005344219 560567006 /nfs/dbraw/zinc/56/70/06/560567006.db2.gz XOBSVCGZKVLVAY-GOTRBWPWSA-N 0 0 411.252 4.201 50 30 HIEARN N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 ZINC000005358176 560569581 /nfs/dbraw/zinc/56/95/81/560569581.db2.gz ILWXSJWPMMKAPQ-UHFFFAOYSA-N 0 0 409.540 4.380 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000005347411 560570636 /nfs/dbraw/zinc/57/06/36/560570636.db2.gz AFOZXNDYVYLZIQ-IBGZPJMESA-N 0 0 410.433 4.028 50 30 HIEARN COc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4 ZINC000005348634 560571100 /nfs/dbraw/zinc/57/11/00/560571100.db2.gz JTQBRGPXOSNTLD-YCYNJWQJSA-N 0 0 407.499 4.023 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000005446324 560588293 /nfs/dbraw/zinc/58/82/93/560588293.db2.gz KKMOFVGAPJPDSA-QFIPXVFZSA-N 0 0 414.461 4.177 50 30 HIEARN N#Cc1ccccc1-n1nc(C(=O)c2cccs2)cc(-c2nc3ccccc3[nH]2)c1=N ZINC000136656126 560625018 /nfs/dbraw/zinc/62/50/18/560625018.db2.gz LQHVHODCUBMBTK-UHFFFAOYSA-N 0 0 422.473 4.059 50 30 HIEARN C=CCN1C(=O)[C@@H](Cc2ccc(Br)cc2)S/C1=N/N=C/c1ccco1 ZINC000100874371 560761433 /nfs/dbraw/zinc/76/14/33/560761433.db2.gz VPSUPNVJUMMGOX-ZEOVRSRCSA-N 0 0 418.316 4.105 50 30 HIEARN C=CCn1c2ccc(C(C)C)cc2s/c1=N\C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000101041934 560767011 /nfs/dbraw/zinc/76/70/11/560767011.db2.gz ODHJLJUDHMDJST-DQRAZIAOSA-N 0 0 414.552 4.157 50 30 HIEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccco3)C12 ZINC000018117991 560776704 /nfs/dbraw/zinc/77/67/04/560776704.db2.gz LADIOSBAWGGANY-SJKOYZFVSA-N 0 0 400.360 4.306 50 30 HIEARN CCCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccccc1OCC ZINC000101284761 560790601 /nfs/dbraw/zinc/79/06/01/560790601.db2.gz UOQSAXAUGADRQO-HXUWFJFHSA-N 0 0 413.522 4.264 50 30 HIEARN C=CCS[C@@]1(Br)NC(c2ccc(OC)cc2)=C[C@@H](c2ccco2)N1 ZINC000101320925 560791741 /nfs/dbraw/zinc/79/17/41/560791741.db2.gz PDHUDWLPRZRZEY-WMZOPIPTSA-N 0 0 407.333 4.489 50 30 HIEARN CCCCN1C(=O)[C@@](O)(CC(=O)C=Cc2ccco2)c2cc(Br)ccc21 ZINC000101789303 560801416 /nfs/dbraw/zinc/80/14/16/560801416.db2.gz RYKGEGBUIHNFRG-WHXUGTBJSA-N 0 0 418.287 4.049 50 30 HIEARN CCOc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102500445 560812534 /nfs/dbraw/zinc/81/25/34/560812534.db2.gz AMHFDDXUDLNIEZ-MRJHHRETSA-N 0 0 419.433 4.006 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102581791 560816951 /nfs/dbraw/zinc/81/69/51/560816951.db2.gz NUZQLUPBSUQMIH-GHNGSUTGSA-N 0 0 414.845 4.470 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102583851 560816996 /nfs/dbraw/zinc/81/69/96/560816996.db2.gz RSGMLABIFNBABO-WOOAAIBNSA-N 0 0 415.873 4.276 50 30 HIEARN O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccccc1F ZINC000102773485 560825237 /nfs/dbraw/zinc/82/52/37/560825237.db2.gz MFEGPFIXVGPUFE-QOMWVZHYSA-N 0 0 422.460 4.202 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102803900 560826556 /nfs/dbraw/zinc/82/65/56/560826556.db2.gz XYDZDLMUDOLCBJ-NHFXJNLRSA-N 0 0 404.422 4.008 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)c1 ZINC000102803565 560826571 /nfs/dbraw/zinc/82/65/71/560826571.db2.gz SOVZRZWRDVTWNC-NHFXJNLRSA-N 0 0 420.852 4.370 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000102859067 560831341 /nfs/dbraw/zinc/83/13/41/560831341.db2.gz WUNRLHRFXVRCJF-LFVOPCPISA-N 0 0 406.463 4.086 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102860954 560831684 /nfs/dbraw/zinc/83/16/84/560831684.db2.gz YLDXOJFCVXMTFH-NHFXJNLRSA-N 0 0 407.397 4.049 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000102927193 560834502 /nfs/dbraw/zinc/83/45/02/560834502.db2.gz JRRJXPMTOONDJW-YDJIHCHBSA-N 0 0 418.405 4.118 50 30 HIEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102927806 560834584 /nfs/dbraw/zinc/83/45/84/560834584.db2.gz YDGNUHQXDZVIGP-HOGKFDNTSA-N 0 0 421.493 4.018 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000104121689 560848434 /nfs/dbraw/zinc/84/84/34/560848434.db2.gz SJHZGIUEGFKNET-NHFXJNLRSA-N 0 0 418.380 4.360 50 30 HIEARN N#C[C@H](C(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000047373197 560886495 /nfs/dbraw/zinc/88/64/95/560886495.db2.gz RFIKSZIGLBCVRZ-OAHLLOKOSA-N 0 0 412.232 4.294 50 30 HIEARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000012070153 560888223 /nfs/dbraw/zinc/88/82/23/560888223.db2.gz XFJYWXRPVAAJJU-UHFFFAOYSA-N 0 0 416.568 4.252 50 30 HIEARN N#Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000045962148 568422798 /nfs/dbraw/zinc/42/27/98/568422798.db2.gz YUZZLQWKMOLXFX-UHFFFAOYSA-N 0 0 423.494 4.210 50 30 HIEARN CC(C)c1cccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCc2ccccn2)c1 ZINC000046126928 568428716 /nfs/dbraw/zinc/42/87/16/568428716.db2.gz GBIOVFJJJGIJRE-UHFFFAOYSA-N 0 0 416.481 4.332 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)c(C)c2)cc1OC ZINC000046127352 568428839 /nfs/dbraw/zinc/42/88/39/568428839.db2.gz VSTBQXATKNTDJO-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN Cc1ccccc1NC(=NC(=O)c1ccc(C(F)(F)F)cc1)NC[C@H]1CCCO1 ZINC000046129255 568429124 /nfs/dbraw/zinc/42/91/24/568429124.db2.gz OCOVECTYMIWVKA-QGZVFWFLSA-N 0 0 405.420 4.391 50 30 HIEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(Cl)ccc2OC)cc1 ZINC000046129856 568429188 /nfs/dbraw/zinc/42/91/88/568429188.db2.gz GVSBODHTWKNKDN-SFHVURJKSA-N 0 0 415.921 4.288 50 30 HIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(Br)c2)cc1 ZINC000046132757 568430274 /nfs/dbraw/zinc/43/02/74/568430274.db2.gz YBVIXAABMJSHKR-SFHVURJKSA-N 0 0 416.319 4.134 50 30 HIEARN N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000048301318 568437578 /nfs/dbraw/zinc/43/75/78/568437578.db2.gz SYCYTXDUUVVCOC-JOCHJYFZSA-N 0 0 406.413 4.083 50 30 HIEARN COc1ccc([C@@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000048342346 568440513 /nfs/dbraw/zinc/44/05/13/568440513.db2.gz CCJCQDZWVOJMQP-PKTZIBPZSA-N 0 0 400.434 4.111 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c2ccccc21 ZINC000000803689 568485791 /nfs/dbraw/zinc/48/57/91/568485791.db2.gz OGSBYTGQRYRNDF-FQEVSTJZSA-N 0 0 421.493 4.339 50 30 HIEARN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccccc1Cl ZINC000002861542 568509545 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Cc1ccccc1C(=O)N1CCN(c2oc(/C=C/c3cccs3)nc2C#N)CC1 ZINC000012418798 568719257 /nfs/dbraw/zinc/71/92/57/568719257.db2.gz WAQBSUMPGBXXIS-CMDGGOBGSA-N 0 0 404.495 4.049 50 30 HIEARN COc1ccc(Br)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000000868357 568725048 /nfs/dbraw/zinc/72/50/48/568725048.db2.gz FHKFOYWQKLSYTK-CIAFOILYSA-N 0 0 400.276 4.006 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1C ZINC000000871471 568730236 /nfs/dbraw/zinc/73/02/36/568730236.db2.gz ZLQZVKIEVNXQOE-UHFFFAOYSA-N 0 0 405.907 4.081 50 30 HIEARN CC(C)[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)N1C(=O)c2ccccc2C1=O ZINC000000947418 568752965 /nfs/dbraw/zinc/75/29/65/568752965.db2.gz CNJOSRYWLDLZFC-DJJJIMSYSA-N 0 0 421.522 4.004 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C#N)c1C ZINC000000996312 568759838 /nfs/dbraw/zinc/75/98/38/568759838.db2.gz UFMGAPVKGZJGOB-ZDUSSCGKSA-N 0 0 419.934 4.470 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)nc1 ZINC000025282736 568762025 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HIEARN N#CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccc(F)cc1 ZINC000002664011 568799883 /nfs/dbraw/zinc/79/98/83/568799883.db2.gz PFEWXGRNMDFUSB-UHFFFAOYSA-N 0 0 421.457 4.396 50 30 HIEARN N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000002692875 568801002 /nfs/dbraw/zinc/80/10/02/568801002.db2.gz XPPBGCREZKHXRM-UHFFFAOYSA-N 0 0 423.519 4.014 50 30 HIEARN CCOC(=O)c1sc(NC(=O)c2ccc(OC(F)F)c(OCC)c2)c(C#N)c1C ZINC000002793568 568809362 /nfs/dbraw/zinc/80/93/62/568809362.db2.gz JAXKPUYEDKFNOC-UHFFFAOYSA-N 0 0 424.425 4.357 50 30 HIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(F)cc3Cl)o2)cnn1C ZINC000002798069 568810435 /nfs/dbraw/zinc/81/04/35/568810435.db2.gz DDPUZLBSEMPLSQ-YSURURNPSA-N 0 0 418.856 4.275 50 30 HIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005868812 568827167 /nfs/dbraw/zinc/82/71/67/568827167.db2.gz XEXPMJUKLXAMDT-INIZCTEOSA-N 0 0 410.543 4.258 50 30 HIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 ZINC000005868852 568827239 /nfs/dbraw/zinc/82/72/39/568827239.db2.gz YDRBQBPIKWTWOR-KRWDZBQOSA-N 0 0 411.527 4.235 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 ZINC000006005283 568835101 /nfs/dbraw/zinc/83/51/01/568835101.db2.gz SEXPIJVLDMLQSS-YVEFUNNKSA-N 0 0 411.527 4.234 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006015186 568835479 /nfs/dbraw/zinc/83/54/79/568835479.db2.gz SNUNIUSLSOLNJN-QFIPXVFZSA-N 0 0 423.509 4.433 50 30 HIEARN C=CCNc1nnc(SCc2nc3sc4c(c3c(N)n2)CCCCC4)s1 ZINC000012474093 568838483 /nfs/dbraw/zinc/83/84/83/568838483.db2.gz QUQZIYYGFPCIKI-UHFFFAOYSA-N 0 0 404.590 4.284 50 30 HIEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)N(CCC#N)CCC#N ZINC000012519912 568840717 /nfs/dbraw/zinc/84/07/17/568840717.db2.gz DWQPPSBZLCGAMB-UHFFFAOYSA-N 0 0 423.464 4.213 50 30 HIEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)CSc2nnc3n2CCCCC3)c1C#N ZINC000012536403 568845881 /nfs/dbraw/zinc/84/58/81/568845881.db2.gz KVQPIAAXTLTGNW-UHFFFAOYSA-N 0 0 420.542 4.015 50 30 HIEARN CC(=O)Nc1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(NC(C)=O)c1 ZINC000003123007 568857101 /nfs/dbraw/zinc/85/71/01/568857101.db2.gz UHIYDLGTLKVDCV-UHFFFAOYSA-N 0 0 422.272 4.153 50 30 HIEARN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000012563648 568859365 /nfs/dbraw/zinc/85/93/65/568859365.db2.gz PWLBTOMPZCBFBU-LJQANCHMSA-N 0 0 416.525 4.036 50 30 HIEARN O=C(C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000003190694 568860539 /nfs/dbraw/zinc/86/05/39/568860539.db2.gz JRCWDBYCRVMDGX-HNNXBMFYSA-N 0 0 412.314 4.185 50 30 HIEARN N#CCCN(C(=O)COC(=O)c1c2ccccc2nc2c1CCCC2)c1ccccc1 ZINC000003245575 568867059 /nfs/dbraw/zinc/86/70/59/568867059.db2.gz NPMQJUUJLBWPSX-UHFFFAOYSA-N 0 0 413.477 4.217 50 30 HIEARN Cc1ccc(OCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000003351775 568885848 /nfs/dbraw/zinc/88/58/48/568885848.db2.gz WJOMQSHAYYONJB-OAHLLOKOSA-N 0 0 412.511 4.004 50 30 HIEARN N#CCCN(C(=O)CSc1nnc(NC2CCCCC2)s1)c1ccccc1F ZINC000003373112 568890901 /nfs/dbraw/zinc/89/09/01/568890901.db2.gz UNXYAKHTINVSKN-UHFFFAOYSA-N 0 0 419.551 4.461 50 30 HIEARN C=CCn1c(SC[C@H]2COc3ccccc3O2)nc2sc(C)c(C)c2c1=O ZINC000003444641 568904310 /nfs/dbraw/zinc/90/43/10/568904310.db2.gz RAUSXDSUQNDTKS-CQSZACIVSA-N 0 0 400.525 4.193 50 30 HIEARN CC[C@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C ZINC000025756904 568913882 /nfs/dbraw/zinc/91/38/82/568913882.db2.gz FSJUEVABZCOMDI-HXUWFJFHSA-N 0 0 407.543 4.453 50 30 HIEARN COc1cc(OC)c([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1OC ZINC000003959087 568930488 /nfs/dbraw/zinc/93/04/88/568930488.db2.gz AZULXODESLGWOR-QFIPXVFZSA-N 0 0 405.454 4.084 50 30 HIEARN CCOc1ccc(OCCN(c2ccccc2)S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000012753811 568942126 /nfs/dbraw/zinc/94/21/26/568942126.db2.gz QTUXTICWOPRRAR-UHFFFAOYSA-N 0 0 422.506 4.231 50 30 HIEARN O=C1CCCC2=Nc3nc(-c4ccco4)nn3[C@H](c3ccc(Br)cc3)C12 ZINC000004180801 568949331 /nfs/dbraw/zinc/94/93/31/568949331.db2.gz UWTNBHSSXNKXNT-QGZVFWFLSA-N 0 0 411.259 4.323 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 ZINC000004187228 568950039 /nfs/dbraw/zinc/95/00/39/568950039.db2.gz VEEDYPZZKIOHIW-UHFFFAOYSA-N 0 0 418.566 4.459 50 30 HIEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3cnc4ccccc4c3=O)sc2C1 ZINC000059315932 568951378 /nfs/dbraw/zinc/95/13/78/568951378.db2.gz GRPDYRHWFPKUEC-AWEZNQCLSA-N 0 0 420.538 4.119 50 30 HIEARN C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000012785472 568960075 /nfs/dbraw/zinc/96/00/75/568960075.db2.gz IEHAVOLZHIPWDQ-HNNXBMFYSA-N 0 0 424.522 4.450 50 30 HIEARN C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1Cl ZINC000005041560 568964802 /nfs/dbraw/zinc/96/48/02/568964802.db2.gz JBKQPHVWGBYPBY-UHFFFAOYSA-N 0 0 405.936 4.280 50 30 HIEARN C=CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000007987734 568965328 /nfs/dbraw/zinc/96/53/28/568965328.db2.gz AKXVJIMFDAUTLH-UHFFFAOYSA-N 0 0 414.505 4.307 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)c1 ZINC000008022756 568968857 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418.154 4.333 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccn1 ZINC000002349207 569282633 /nfs/dbraw/zinc/28/26/33/569282633.db2.gz QRQOMILXMKRTBY-UHFFFAOYSA-N 0 0 401.495 4.410 50 30 HIEARN COc1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)ccc1OCC#N ZINC000252453071 569286412 /nfs/dbraw/zinc/28/64/12/569286412.db2.gz ZPUMNXLUFSABGY-UHFFFAOYSA-N 0 0 413.890 4.017 50 30 HIEARN COc1ccc(C(=O)Oc2cccc(/C=N/NC(=S)Nc3ccccc3)c2)cc1 ZINC000002543803 569288426 /nfs/dbraw/zinc/28/84/26/569288426.db2.gz XCPZJRVCCTVSRV-HZHRSRAPSA-N 0 0 405.479 4.235 50 30 HIEARN CC(C)Oc1ccccc1C=Nn1cnnc1N=NCc1ccccc1OC(C)C ZINC000252594573 569296233 /nfs/dbraw/zinc/29/62/33/569296233.db2.gz BTODORXAEJYSPB-UHFFFAOYSA-N 0 0 406.490 4.181 50 30 HIEARN CCc1ccc(N=C2S/C(=C/c3ccc(OCC#N)c(OC)c3)C(=O)N2C)cc1 ZINC000252599735 569296752 /nfs/dbraw/zinc/29/67/52/569296752.db2.gz DKUQMUKDSQFKFR-KAWQFOENSA-N 0 0 407.495 4.394 50 30 HIEARN CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=Nc1ccc(OC)cc1 ZINC000252626805 569310760 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HIEARN COc1ccc([C@@H](C#N)Cc2cc(OC)c(OC)cc2Br)cc1OC ZINC000002266603 569325790 /nfs/dbraw/zinc/32/57/90/569325790.db2.gz FTSDHBCSXQKJCU-CQSZACIVSA-N 0 0 406.276 4.333 50 30 HIEARN COc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000019771562 569357350 /nfs/dbraw/zinc/35/73/50/569357350.db2.gz HKCXBBVMGLCVKI-UHFFFAOYSA-N 0 0 415.537 4.426 50 30 HIEARN COc1cc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3cccc(C)n32)ccc1O ZINC000035616569 569357973 /nfs/dbraw/zinc/35/79/73/569357973.db2.gz ZCJFIAGPWXCOCU-ZMOGYAJESA-N 0 0 403.438 4.489 50 30 HIEARN C=C1C[C@@H]2[C@H]3C=C(OC)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O ZINC000043757611 569363501 /nfs/dbraw/zinc/36/35/01/569363501.db2.gz WNAXMHYJJJYQJJ-NWTKVHGZSA-N 0 0 412.526 4.325 50 30 HIEARN COc1ccc(N2C(=O)C[C@@H](Sc3nc(-c4ccccc4)ccc3C#N)C2=O)cc1 ZINC000000688310 569384099 /nfs/dbraw/zinc/38/40/99/569384099.db2.gz QKMKYLMOGKNSHT-HXUWFJFHSA-N 0 0 415.474 4.053 50 30 HIEARN Cc1ccc(S(=O)(=O)Nc2ccn3c(c2)c(C#N)c2nc4ccccc4nc23)cc1 ZINC000002353746 569385273 /nfs/dbraw/zinc/38/52/73/569385273.db2.gz QMDNCVPMUAJITA-UHFFFAOYSA-N 0 0 413.462 4.017 50 30 HIEARN N#Cc1cnc(Sc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)nc1N ZINC000008637006 569389991 /nfs/dbraw/zinc/38/99/91/569389991.db2.gz RZAORIJLEZMMNC-UHFFFAOYSA-N 0 0 411.903 4.044 50 30 HIEARN CCOc1nc2c(c3ncnc(SCC(C)=O)c3n2C)c(-c2ccccc2)c1C#N ZINC000008705180 569390148 /nfs/dbraw/zinc/39/01/48/569390148.db2.gz NYFDWSUAFOMQMH-UHFFFAOYSA-N 0 0 417.494 4.135 50 30 HIEARN Cc1ccc(C)c(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCC2)c1 ZINC000002441038 569400657 /nfs/dbraw/zinc/40/06/57/569400657.db2.gz XTAZAYUJTFQPEA-NRFANRHFSA-N 0 0 420.538 4.276 50 30 HIEARN CS(=O)(=O)c1nc(Br)c(C#N)c(-c2ccc(Cl)cc2)c1Cl ZINC000019596543 569424133 /nfs/dbraw/zinc/42/41/33/569424133.db2.gz UDBRDTMSAVEHPT-UHFFFAOYSA-N 0 0 406.088 4.093 50 30 HIEARN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CSc2nnc(C3CC3)o2)c1C#N ZINC000008487903 571055571 /nfs/dbraw/zinc/05/55/71/571055571.db2.gz WKNBCMLRKGEWSL-UHFFFAOYSA-N 0 0 411.462 4.096 50 30 HIEARN COc1ccc(/C=C/c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1OC ZINC000008493426 571061333 /nfs/dbraw/zinc/06/13/33/571061333.db2.gz AGCMOANHTLMOPP-VMPITWQZSA-N 0 0 405.410 4.075 50 30 HIEARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N ZINC000008919404 571154971 /nfs/dbraw/zinc/15/49/71/571154971.db2.gz IVHLNDMUPJPGKX-UHFFFAOYSA-N 0 0 424.345 4.135 50 30 HIEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009216914 571237533 /nfs/dbraw/zinc/23/75/33/571237533.db2.gz IJOPRROKIIJZNF-UHFFFAOYSA-N 0 0 422.488 4.346 50 30 HIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)c1ccc(F)cc1 ZINC000009305277 571246464 /nfs/dbraw/zinc/24/64/64/571246464.db2.gz LOPMPGDCYUGKOB-FBHDLOMBSA-N 0 0 404.349 4.390 50 30 HIEARN Cc1nn(C)c(C)c1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000009545204 571267524 /nfs/dbraw/zinc/26/75/24/571267524.db2.gz MMKUHUBOZGBXGH-HXUWFJFHSA-N 0 0 421.884 4.473 50 30 HIEARN C=CCc1ccccc1OCCSc1nc(-c2ccc(F)cc2)nc2cc(=O)[nH]n21 ZINC000009641111 571275721 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N#Cc1ccc(COCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000077191726 571312360 /nfs/dbraw/zinc/31/23/60/571312360.db2.gz RMBKRERUFKLIOE-UHFFFAOYSA-N 0 0 420.534 4.329 50 30 HIEARN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc2c(c1)NC(=O)CO2 ZINC000005109476 845082174 /nfs/dbraw/zinc/08/21/74/845082174.db2.gz WCOCJATWJVCXHH-GORDUTHDSA-N 0 0 411.307 4.116 50 30 HIEARN COc1ccc(/C=C/C(=O)C(C(=O)NC2CCCCC2)=C2SCCS2)cc1 ZINC000006934084 845226176 /nfs/dbraw/zinc/22/61/76/845226176.db2.gz JFYKXHTXYBYBTD-FMIVXFBMSA-N 0 0 403.569 4.418 50 30 HIEARN COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OC(F)F ZINC000007586492 845368098 /nfs/dbraw/zinc/36/80/98/845368098.db2.gz GHLNWPGOMZWFFS-QHHAFSJGSA-N 0 0 407.388 4.168 50 30 HIEARN Cc1c(C#N)c2ccccn2c1/C(=N/S(=O)(=O)c1cccs1)c1ccccc1 ZINC000012559269 845876269 /nfs/dbraw/zinc/87/62/69/845876269.db2.gz PCNFDFUACUROCU-BSYVCWPDSA-N 0 0 405.504 4.407 50 30 HIEARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccccc3OC)cc2)cc1 ZINC000012605846 845878487 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HIEARN C=CCNc1nc(C(=O)O[C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cs1 ZINC000024794274 518964673 /nfs/dbraw/zinc/96/46/73/518964673.db2.gz SALJGICHUKKZJT-OAHLLOKOSA-N 0 0 413.499 4.229 50 30 HIEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(N(CC)CC)cc1 ZINC000026770625 518972567 /nfs/dbraw/zinc/97/25/67/518972567.db2.gz UMHUMGMCOPQTBX-UHFFFAOYSA-N 0 0 424.541 4.226 50 30 HIEARN C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1ccc(C)s1)CC2 ZINC000064754501 518977066 /nfs/dbraw/zinc/97/70/66/518977066.db2.gz APPYJNDFQPDNAW-UHFFFAOYSA-N 0 0 406.507 4.454 50 30 HIEARN C=CCn1c(=O)c2c(ncn2[C@@H](C)c2ccccc2)n(-c2ccc(C(C)C)cc2)c1=O ZINC000034693832 519157641 /nfs/dbraw/zinc/15/76/41/519157641.db2.gz QJOYVCMSNDNVGF-SFHVURJKSA-N 0 0 414.509 4.268 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000038536808 519188660 /nfs/dbraw/zinc/18/86/60/519188660.db2.gz NXKNGTACFIPGSH-HNNXBMFYSA-N 0 0 419.510 4.133 50 30 HIEARN C=CCn1c(N)nnc1S[C@@H](C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000032779016 519195373 /nfs/dbraw/zinc/19/53/73/519195373.db2.gz AMCKXMIBPQKORW-AWEZNQCLSA-N 0 0 420.542 4.293 50 30 HIEARN C=CCn1c2ccc(Br)cc2s/c1=N/C(=O)COc1ccccc1F ZINC000038873173 519261614 /nfs/dbraw/zinc/26/16/14/519261614.db2.gz AEXCSPWJVBVLTF-DYTRJAOYSA-N 0 0 421.291 4.297 50 30 HIEARN CC1(C)CC(=O)C(=CNc2cccc(N[C@@H]3CC(C)(C)CC(=O)[C@H]3C#N)c2)C(=O)C1 ZINC000020095856 520252220 /nfs/dbraw/zinc/25/22/20/520252220.db2.gz ONHHGCWTLSCVFB-PKOBYXMFSA-N 0 0 407.514 4.250 50 30 HIEARN CC1(C)CCC[C@@](C)(C#CCN2CCN(CC#C[C@]3(C)CCCC(C)(C)O3)CC2)O1 ZINC000019934004 520351640 /nfs/dbraw/zinc/35/16/40/520351640.db2.gz JMHBJXANORTDCX-UIOOFZCWSA-N 0 0 414.634 4.086 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc([N+](=O)[O-])c(C)s1 ZINC000019757727 520494102 /nfs/dbraw/zinc/49/41/02/520494102.db2.gz XLNGUSVTMLHBHY-GOSISDBHSA-N 0 0 404.488 4.132 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)CCCN2C ZINC000019911072 520494229 /nfs/dbraw/zinc/49/42/29/520494229.db2.gz NOEJIIUDBRZBRY-JOCHJYFZSA-N 0 0 408.542 4.236 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2ccc(O)c(OC)c2)C1=O ZINC000036258454 520537923 /nfs/dbraw/zinc/53/79/23/520537923.db2.gz JEAXIERSOXNNEK-LICLKQGHSA-N 0 0 415.442 4.084 50 30 HIEARN CCOC(=O)C1CCN(CN2c3ccccc3/C(=N\c3ccc(C)c(C)c3)C2=O)CC1 ZINC000100841968 520578110 /nfs/dbraw/zinc/57/81/10/520578110.db2.gz LJVWHDDNMWOCNO-WNAAXNPUSA-N 0 0 419.525 4.003 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000019851285 520803472 /nfs/dbraw/zinc/80/34/72/520803472.db2.gz QBMQAOHTZLIRAA-JOCHJYFZSA-N 0 0 420.440 4.161 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019761731 520824143 /nfs/dbraw/zinc/82/41/43/520824143.db2.gz DYGNMEGRRAMJRY-VBKZILBWSA-N 0 0 401.890 4.030 50 30 HIEARN CCN(CCC#N)c1ccc(/C=C2/N=C(c3cc(OC)cc(OC)c3)OC2=O)c(C)c1 ZINC000096635118 520978962 /nfs/dbraw/zinc/97/89/62/520978962.db2.gz IGGSXSZCCJGDAR-HYARGMPZSA-N 0 0 419.481 4.097 50 30 HIEARN CCOC(=O)[C@H]1CSCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000031578641 521317943 /nfs/dbraw/zinc/31/79/43/521317943.db2.gz ZLPZGZKMQGHIKW-GFCCVEGCSA-N 0 0 411.738 4.215 50 30 HIEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)c1 ZINC000057999363 521393972 /nfs/dbraw/zinc/39/39/72/521393972.db2.gz HSKCYUWMNBVJQN-RSTPCFTMSA-N 0 0 411.527 4.292 50 30 HIEARN CCCC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100162980 521658340 /nfs/dbraw/zinc/65/83/40/521658340.db2.gz UKDJPIJTVLYLOU-ZQHZRZASSA-N 0 0 422.319 4.273 50 30 HIEARN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N ZINC000035191360 521955904 /nfs/dbraw/zinc/95/59/04/521955904.db2.gz RBECVXSNOJDIGY-GZTJUZNOSA-N 0 0 400.843 4.492 50 30 HIEARN COc1cc(/C=N/N(C)C(=S)Nc2cccc(Cl)c2C)cc(OC)c1OC ZINC000001024711 521985017 /nfs/dbraw/zinc/98/50/17/521985017.db2.gz DHHYWDGOCSFHQV-SRZZPIQSSA-N 0 0 407.923 4.337 50 30 HIEARN COC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(O)c(OC)c2)C1=O ZINC000036257457 522895147 /nfs/dbraw/zinc/89/51/47/522895147.db2.gz REUHEJCDIWBHEX-MHWRWJLKSA-N 0 0 417.870 4.208 50 30 HIEARN COc1cc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000025762967 522953706 /nfs/dbraw/zinc/95/37/06/522953706.db2.gz ZRIAGNFQYWMBJI-QFIPXVFZSA-N 0 0 422.456 4.147 50 30 HIEARN COc1ccc(-c2nc(CN3CCC[C@]4(CCCCO4)[C@H]3C#N)cs2)c(OC)c1 ZINC000253432370 523204203 /nfs/dbraw/zinc/20/42/03/523204203.db2.gz JXMQBHYXSDOPBW-IFMALSPDSA-N 0 0 413.543 4.255 50 30 HIEARN COc1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1OC ZINC000020617689 523400507 /nfs/dbraw/zinc/40/05/07/523400507.db2.gz PKWYWMICNQGERR-ZZXKWVIFSA-N 0 0 415.239 4.469 50 30 HIEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)c(OC)c1OC ZINC000033933482 523428099 /nfs/dbraw/zinc/42/80/99/523428099.db2.gz GGHJELGXNMGYSY-GDNBJRDFSA-N 0 0 404.875 4.257 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(OC)cc2)Nc2ccccc2C)c1C ZINC000032972246 523639299 /nfs/dbraw/zinc/63/92/99/523639299.db2.gz WTSXQVZVEQZUFX-UHFFFAOYSA-N 0 0 419.529 4.235 50 30 HIEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Br)cc1 ZINC000009846339 523725515 /nfs/dbraw/zinc/72/55/15/523725515.db2.gz KXEFEMMWMJDIHH-BAOKRACBSA-N 0 0 418.316 4.039 50 30 HIEARN COCCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 ZINC000044027696 524041976 /nfs/dbraw/zinc/04/19/76/524041976.db2.gz YVMKMEDWSDCIAG-FPYGCLRLSA-N 0 0 407.260 4.085 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000019905036 524109766 /nfs/dbraw/zinc/10/97/66/524109766.db2.gz OULIQQKPNPYBDP-HSZRJFAPSA-N 0 0 418.493 4.310 50 30 HIEARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000040288058 524131002 /nfs/dbraw/zinc/13/10/02/524131002.db2.gz SXFPEJWRKIBECI-XOBRGWDASA-N 0 0 406.417 4.197 50 30 HIEARN COc1cccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000027547194 524169441 /nfs/dbraw/zinc/16/94/41/524169441.db2.gz QHOTYGFTLCUHBP-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(C(F)(F)F)=Nc3ncnn32)c1 ZINC000036612265 524171774 /nfs/dbraw/zinc/17/17/74/524171774.db2.gz NJLYHJVMFAJLRY-INIZCTEOSA-N 0 0 418.350 4.140 50 30 HIEARN COc1ccccc1C=C[C@@H]1CC(=C2C(=O)C=C(C)OC2=O)Nc2ccccc2N1 ZINC000170625910 524318400 /nfs/dbraw/zinc/31/84/00/524318400.db2.gz WSIYKARWVFZBKH-MLPLNRBZSA-N 0 0 402.450 4.289 50 30 HIEARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)c(C)c1 ZINC000012578477 524482811 /nfs/dbraw/zinc/48/28/11/524482811.db2.gz PJXREWXCYDUMNQ-NRFANRHFSA-N 0 0 404.510 4.013 50 30 HIEARN COc1ccccc1NC(=O)CSc1nc(N2CCCC2)c2c(c1C#N)CCCC2 ZINC000020589066 524597318 /nfs/dbraw/zinc/59/73/18/524597318.db2.gz OLTAQNQMKFUGTA-UHFFFAOYSA-N 0 0 422.554 4.172 50 30 HIEARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)s1 ZINC000006830989 524653576 /nfs/dbraw/zinc/65/35/76/524653576.db2.gz KXYAINKSTXPFBA-CYBMUJFWSA-N 0 0 417.560 4.114 50 30 HIEARN Cc1ccc(NC(=NC(=O)c2ccc([N+](=O)[O-])cc2)Nc2nc(C)cc(C)n2)cc1 ZINC000018125993 524911839 /nfs/dbraw/zinc/91/18/39/524911839.db2.gz PGCABADNOGLOMS-UHFFFAOYSA-N 0 0 404.430 4.030 50 30 HIEARN COc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027532885 525384912 /nfs/dbraw/zinc/38/49/12/525384912.db2.gz WFHNDHYUSDEHFG-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000018219428 525400175 /nfs/dbraw/zinc/40/01/75/525400175.db2.gz SGRHVPCUQMXMHC-VFNWGFHPSA-N 0 0 406.873 4.356 50 30 HIEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034719519 525597763 /nfs/dbraw/zinc/59/77/63/525597763.db2.gz YEFTYTCQLDPGNT-UUILKARUSA-N 0 0 421.474 4.421 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N[C@@H](C)C(C)C)cc1 ZINC000032828939 525627732 /nfs/dbraw/zinc/62/77/32/525627732.db2.gz IRAUCLBUVJSYKU-JXFKEZNVSA-N 0 0 408.527 4.433 50 30 HIEARN CSc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019830720 526078054 /nfs/dbraw/zinc/07/80/54/526078054.db2.gz MRXOWRISFJEJCW-IERDGZPVSA-N 0 0 413.539 4.099 50 30 HIEARN N#C[C@@H](c1nc2ccccc2nc1NC1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000032765209 526497758 /nfs/dbraw/zinc/49/77/58/526497758.db2.gz SNXTWYBXTJIJAP-IBGZPJMESA-N 0 0 410.474 4.162 50 30 HIEARN O=C(c1ccccc1)C1=CN(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O ZINC000032984118 526790126 /nfs/dbraw/zinc/79/01/26/526790126.db2.gz CPSVDZBNZJCAJJ-UHFFFAOYSA-N 0 0 405.431 4.065 50 30 HIEARN O=C1c2sccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1cccc(F)c1 ZINC000020575606 527139282 /nfs/dbraw/zinc/13/92/82/527139282.db2.gz LIEPDWPEUBLTPE-PDGQHHTCSA-N 0 0 414.483 4.373 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(I)c1 ZINC000032905211 527325816 /nfs/dbraw/zinc/32/58/16/527325816.db2.gz DCIRFUZEOOGVMZ-UHFFFAOYSA-N 0 0 424.241 4.338 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000000726476 557073239 /nfs/dbraw/zinc/07/32/39/557073239.db2.gz MENSXWIBVPEJIZ-NRFANRHFSA-N 0 0 413.514 4.261 50 30 HIEARN COc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)c(Br)cc1O ZINC000001120563 557190593 /nfs/dbraw/zinc/19/05/93/557190593.db2.gz DARDDBZKGVEVKB-VXLYETTFSA-N 0 0 419.304 4.026 50 30 HIEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000001251515 557251753 /nfs/dbraw/zinc/25/17/53/557251753.db2.gz PYDDFBVISASNAB-AWQFTUOYSA-N 0 0 409.298 4.440 50 30 HIEARN COc1cc(/C=N/N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000001743051 557284300 /nfs/dbraw/zinc/28/43/00/557284300.db2.gz CAVGSXRKAZSBSQ-LGUFXXKBSA-N 0 0 401.510 4.430 50 30 HIEARN COc1ccc(C(=O)NC2=NN3C(=NC(c4ccccc4)=C[C@@H]3c3ccccc3)N2)cc1 ZINC000001790350 557288082 /nfs/dbraw/zinc/28/80/82/557288082.db2.gz PAGYBILODYZFBO-JOCHJYFZSA-N 0 0 423.476 4.328 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000002055474 557302688 /nfs/dbraw/zinc/30/26/88/557302688.db2.gz CTTMBVVVLCHXRD-JOCHJYFZSA-N 0 0 413.514 4.492 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000002055473 557302762 /nfs/dbraw/zinc/30/27/62/557302762.db2.gz CTTMBVVVLCHXRD-QFIPXVFZSA-N 0 0 413.514 4.492 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000002057109 557302919 /nfs/dbraw/zinc/30/29/19/557302919.db2.gz JBXKWUXIXIYJOS-GOSISDBHSA-N 0 0 410.297 4.151 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 ZINC000002062022 557304247 /nfs/dbraw/zinc/30/42/47/557304247.db2.gz WCROIFUKTXHWHA-HSZRJFAPSA-N 0 0 421.468 4.416 50 30 HIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000002090506 557312523 /nfs/dbraw/zinc/31/25/23/557312523.db2.gz QLHDHCFVMKTWSB-HXUWFJFHSA-N 0 0 413.514 4.261 50 30 biogenic HIEARN Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccncc3)c3nc4ccccc4nc32)cc1 ZINC000002355795 557339819 /nfs/dbraw/zinc/33/98/19/557339819.db2.gz ZLFQJMAGTJQOJK-MZJWZYIUSA-N 0 0 421.464 4.005 50 30 HIEARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)cc1 ZINC000002843312 557401886 /nfs/dbraw/zinc/40/18/86/557401886.db2.gz FZROHFWUDZVNLM-UHFFFAOYSA-N 0 0 419.506 4.139 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000002844220 557402132 /nfs/dbraw/zinc/40/21/32/557402132.db2.gz IAPCWILQLNQMGA-AOMKIAJQSA-N 0 0 407.441 4.066 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2OCCC(C)C)cc1 ZINC000003137181 557450280 /nfs/dbraw/zinc/45/02/80/557450280.db2.gz HWNGNWUTFKBVQL-HXUWFJFHSA-N 0 0 409.511 4.402 50 30 HIEARN Cc1ccc(S(=O)(=O)Oc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000004017979 557505330 /nfs/dbraw/zinc/50/53/30/557505330.db2.gz APHPCTWDHFCCGF-KGENOOAVSA-N 0 0 411.439 4.117 50 30 HIEARN CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)c1 ZINC000004114994 557515637 /nfs/dbraw/zinc/51/56/37/557515637.db2.gz OKAULENVERXBAP-NRFANRHFSA-N 0 0 409.482 4.009 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(Cl)c3Cl)S2)cc1 ZINC000004159530 557521512 /nfs/dbraw/zinc/52/15/12/557521512.db2.gz HCKGXUZYMIVJGZ-LKKXKRCMSA-N 0 0 408.310 4.166 50 30 HIEARN COc1ccc(C(=O)NC(Nc2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000004343685 557544307 /nfs/dbraw/zinc/54/43/07/557544307.db2.gz HLQIWIHWBKNFHP-UHFFFAOYSA-N 0 0 410.289 4.497 50 30 HIEARN O=S(=O)(N=C(NCCc1ccccc1)Nc1cccc(Cl)c1)c1ccccc1 ZINC000004366615 557547488 /nfs/dbraw/zinc/54/74/88/557547488.db2.gz YEQSDSFPWGCHCQ-UHFFFAOYSA-N 0 0 413.930 4.329 50 30 HIEARN COC(=O)c1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1 ZINC000004413739 557553077 /nfs/dbraw/zinc/55/30/77/557553077.db2.gz UVYRALBNWUNAAQ-OAQYLSRUSA-N 0 0 405.450 4.403 50 30 HIEARN CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436377 557555339 /nfs/dbraw/zinc/55/53/39/557555339.db2.gz DDHOUEZMCXHYSD-GOSISDBHSA-N 0 0 414.531 4.065 50 30 HIEARN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000004453042 557555977 /nfs/dbraw/zinc/55/59/77/557555977.db2.gz PIOJQTPEBFTPTD-SFHVURJKSA-N 0 0 419.905 4.221 50 30 HIEARN C[C@@H]1CC(=NNc2ccc(Br)cc2)c2cc(Cl)ccc2S1(=O)=O ZINC000004709687 557585719 /nfs/dbraw/zinc/58/57/19/557585719.db2.gz JNOSGALIRMRYIB-LFVNQLLJSA-N 0 0 413.724 4.485 50 30 HIEARN O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914822 557613650 /nfs/dbraw/zinc/61/36/50/557613650.db2.gz DBANAICKNHJXGV-MLGOLLRUSA-N 0 0 414.820 4.392 50 30 HIEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000004945089 557615944 /nfs/dbraw/zinc/61/59/44/557615944.db2.gz KPMIMPIPSWSKEH-SBUREZEXSA-N 0 0 416.481 4.019 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004951603 557616572 /nfs/dbraw/zinc/61/65/72/557616572.db2.gz GLYGRDINHXBZBT-JOCHJYFZSA-N 0 0 403.482 4.087 50 30 HIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)c1 ZINC000004986792 557621056 /nfs/dbraw/zinc/62/10/56/557621056.db2.gz LAYGDKMSJVCSPN-KBXCAEBGSA-N 0 0 411.885 4.362 50 30 HIEARN COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(O)cc2)ccc1OC(C)C ZINC000004987496 557621649 /nfs/dbraw/zinc/62/16/49/557621649.db2.gz LKLJAPZEVIUZPQ-HKUYNNGSSA-N 0 0 421.493 4.192 50 30 HIEARN O=S(=O)(/N=C(\c1ccccc1)N1CCCCC1)c1ccc(Br)cc1 ZINC000004993684 557622339 /nfs/dbraw/zinc/62/23/39/557622339.db2.gz UDBGASQQYUQZNW-CZIZESTLSA-N 0 0 407.333 4.071 50 30 HIEARN COc1ccc2c(c1)CCC(=CNc1ccccc1I)C2=O ZINC000005023002 557626999 /nfs/dbraw/zinc/62/69/99/557626999.db2.gz BKPXYARFUGUDOI-ACCUITESSA-N 0 0 405.235 4.425 50 30 HIEARN CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000005322362 557644839 /nfs/dbraw/zinc/64/48/39/557644839.db2.gz KYHGFCQBDPTFDO-FQEVSTJZSA-N 0 0 417.509 4.062 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1)c1ccccc1 ZINC000006445930 557702830 /nfs/dbraw/zinc/70/28/30/557702830.db2.gz CHTPQLQHJNWQJS-QHCPKHFHSA-N 0 0 423.472 4.384 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccn1)c1ccccc1 ZINC000006445943 557702906 /nfs/dbraw/zinc/70/29/06/557702906.db2.gz KGWCWIFRWNGFDG-HSZRJFAPSA-N 0 0 423.472 4.384 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000006691033 557715314 /nfs/dbraw/zinc/71/53/14/557715314.db2.gz OHKWUMRDWBXIFC-PBHICJAKSA-N 0 0 403.887 4.159 50 30 HIEARN CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006819465 557725009 /nfs/dbraw/zinc/72/50/09/557725009.db2.gz ZOXKBZXTHZDKGZ-FUHWJXTLSA-N 0 0 421.493 4.107 50 30 HIEARN CCCCN1C(=O)C[C@@H](C(=O)NCC)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000002728091 557753913 /nfs/dbraw/zinc/75/39/13/557753913.db2.gz ZPGLJOHFRZVVSN-NNLSSIJJSA-N 0 0 402.347 4.251 50 30 HIEARN CCn1c(SCC#N)nnc1-c1cc(Br)c(Br)s1 ZINC000002788848 557759421 /nfs/dbraw/zinc/75/94/21/557759421.db2.gz KPOKYCWIWLHPFT-UHFFFAOYSA-N 0 0 408.144 4.167 50 30 HIEARN CC/C(Cl)=N/OC(=O)N(C)c1ccc([C@](Cl)(C(=O)OC)C(F)(F)F)cc1 ZINC000008445343 557790133 /nfs/dbraw/zinc/79/01/33/557790133.db2.gz UOPSZVFZOUGCJU-LRXPYSHVSA-N 0 0 415.195 4.391 50 30 HIEARN Cn1ncc(/N=C/c2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003062998 557793955 /nfs/dbraw/zinc/79/39/55/557793955.db2.gz OJUYSSKUTXZCFS-AUEPDCJTSA-N 0 0 417.347 4.350 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(C)s1 ZINC000019732947 558260061 /nfs/dbraw/zinc/26/00/61/558260061.db2.gz CMICAABVDWCZDJ-KRWDZBQOSA-N 0 0 410.333 4.350 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccn1 ZINC000019770276 558279277 /nfs/dbraw/zinc/27/92/77/558279277.db2.gz QDOHZHBCRIYWGA-BXKMTCNYSA-N 0 0 418.493 4.015 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Br)cc1 ZINC000019804573 558285898 /nfs/dbraw/zinc/28/58/98/558285898.db2.gz NCGNAYMICBDXBF-KRWDZBQOSA-N 0 0 410.267 4.191 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000019811156 558286930 /nfs/dbraw/zinc/28/69/30/558286930.db2.gz CHEBPMJXKFXPAR-AOMKIAJQSA-N 0 0 422.550 4.349 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccs1 ZINC000019848957 558295150 /nfs/dbraw/zinc/29/51/50/558295150.db2.gz DYYRAFZHYKLLMU-NYHFZMIOSA-N 0 0 409.507 4.291 50 30 HIEARN CC1(C)CC(=O)C(=CNc2cccc(N[C@H]3CC(C)(C)CC(=O)[C@@H]3C#N)c2)C(=O)C1 ZINC000020095855 558331527 /nfs/dbraw/zinc/33/15/27/558331527.db2.gz ONHHGCWTLSCVFB-MJGOQNOKSA-N 0 0 407.514 4.250 50 30 HIEARN Oc1ccc(C=NNc2nnc(SCc3cccc(Br)c3)[nH]2)cc1 ZINC000020436894 558363127 /nfs/dbraw/zinc/36/31/27/558363127.db2.gz OHLCAPIOURHYHB-GIJQJNRQSA-N 0 0 404.293 4.011 50 30 HIEARN N=C(NOC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000012369070 558388829 /nfs/dbraw/zinc/38/88/29/558388829.db2.gz SNQSDGFMKLEYBE-UHFFFAOYSA-N 0 0 423.178 4.343 50 30 HIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc21 ZINC000012385021 558393946 /nfs/dbraw/zinc/39/39/46/558393946.db2.gz ONOKTFYAQLOIIC-JYYJXNPCSA-N 0 0 401.466 4.399 50 30 HIEARN N#Cc1ccc(COC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1 ZINC000010738264 558433602 /nfs/dbraw/zinc/43/36/02/558433602.db2.gz ZHQKOJXHUVLOKI-UHFFFAOYSA-N 0 0 403.887 4.042 50 30 HIEARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781321 558510030 /nfs/dbraw/zinc/51/00/30/558510030.db2.gz QSZFWEFCOAYFHS-SANMLTNESA-N 0 0 424.548 4.364 50 30 HIEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(C)cc3C)CC(=O)N2C)cc1 ZINC000013423913 558532065 /nfs/dbraw/zinc/53/20/65/558532065.db2.gz ZXNUUBZDMKXHKN-ZABCRHKISA-N 0 0 411.527 4.292 50 30 HIEARN COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@](C)(O)[C@H]2C(C)=O)cc1OC ZINC000013151588 558597167 /nfs/dbraw/zinc/59/71/67/558597167.db2.gz UKYUDHVJWJPQCG-DSITVLBTSA-N 0 0 423.509 4.103 50 30 HIEARN C=CCn1c(-c2ccccc2)cs/c1=N/N=C/c1cc(OC)c(OC)c(OC)c1 ZINC000004476795 558597906 /nfs/dbraw/zinc/59/79/06/558597906.db2.gz YJGUSAHUHWPTLH-WSBZWDBJSA-N 0 0 409.511 4.363 50 30 HIEARN CNC(=S)N=NCc1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000004514620 558632251 /nfs/dbraw/zinc/63/22/51/558632251.db2.gz CBQHUHISOYPFAK-NKVSQWTQSA-N 0 0 412.298 4.060 50 30 HIEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000004538194 558661310 /nfs/dbraw/zinc/66/13/10/558661310.db2.gz OHMKVEWWMYBGEC-NRFANRHFSA-N 0 0 416.433 4.018 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(OCC)cc1 ZINC000016737281 558803035 /nfs/dbraw/zinc/80/30/35/558803035.db2.gz JCJJQRCXQWDMSX-OAQYLSRUSA-N 0 0 407.466 4.248 50 30 HIEARN O=C1CS/C(=N\c2cnn(Cc3ccc(Cl)cc3)c2)N1Cc1cccs1 ZINC000017082592 558814765 /nfs/dbraw/zinc/81/47/65/558814765.db2.gz ZXVHOKYLHUEXPY-UZYVYHOESA-N 0 0 402.932 4.409 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(COc3ccccc3Cl)o2)cc1 ZINC000017083053 558815488 /nfs/dbraw/zinc/81/54/88/558815488.db2.gz KNNMNYWXLXCNLW-CIAFOILYSA-N 0 0 404.875 4.133 50 30 HIEARN O=[N+]([O-])c1ccc(CCN2CCCC/C2=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000039627081 558822454 /nfs/dbraw/zinc/82/24/54/558822454.db2.gz BKRSVROQVRTSND-VZCXRCSSSA-N 0 0 421.906 4.064 50 30 in-vitro HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000017160512 558824361 /nfs/dbraw/zinc/82/43/61/558824361.db2.gz GVMCKZDGEGXDPD-QFIPXVFZSA-N 0 0 414.461 4.177 50 30 HIEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000017282170 558826387 /nfs/dbraw/zinc/82/63/87/558826387.db2.gz UEFUBRXXQCFROU-OYKKKHCWSA-N 0 0 405.889 4.383 50 30 HIEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccc(C)c(C)c2)Nc2nc(C)cc(C)n2)cc1 ZINC000018143501 558832141 /nfs/dbraw/zinc/83/21/41/558832141.db2.gz WUBGPYSQGAUPQS-UHFFFAOYSA-N 0 0 423.542 4.288 50 30 HIEARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC)cc1 ZINC000013524383 558835992 /nfs/dbraw/zinc/83/59/92/558835992.db2.gz RIKRPBVIRUJBCW-LJQANCHMSA-N 0 0 400.544 4.160 50 30 HIEARN O=C(C[C@H]1Sc2ccccc2NC1=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000072312608 558837854 /nfs/dbraw/zinc/83/78/54/558837854.db2.gz FRVAGITZGUDNFH-QGZVFWFLSA-N 0 0 405.397 4.103 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cnn4c3nccc4-c3ccco3)sc2C1 ZINC000013644336 558849168 /nfs/dbraw/zinc/84/91/68/558849168.db2.gz CJTIUBFNXQHSCU-LBPRGKRZSA-N 0 0 403.467 4.300 50 30 HIEARN COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1OC ZINC000013733817 558861660 /nfs/dbraw/zinc/86/16/60/558861660.db2.gz JCLHQOPRZACEJD-JJFYIABZSA-N 0 0 419.433 4.265 50 30 HIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)N1CCOCC1 ZINC000013758294 558865500 /nfs/dbraw/zinc/86/55/00/558865500.db2.gz JPQNGZMXECIPNT-WQRHYEAKSA-N 0 0 420.248 4.441 50 30 HIEARN CSCCc1[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1C ZINC000004632339 558944652 /nfs/dbraw/zinc/94/46/52/558944652.db2.gz BRNBWBQTMTYYEG-UHFFFAOYSA-N 0 0 406.602 4.166 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2Br)c(C#N)c1C ZINC000013955548 558985787 /nfs/dbraw/zinc/98/57/87/558985787.db2.gz VERXXNXOQUIFQJ-UHFFFAOYSA-N 0 0 420.332 4.425 50 30 HIEARN Cc1noc(-c2ccc(C(=O)OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)n1 ZINC000096794562 558990866 /nfs/dbraw/zinc/99/08/66/558990866.db2.gz AJSJGSURHXQRIL-BKUYFWCQSA-N 0 0 417.465 4.082 50 30 HIEARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1cn(CCC#N)nc1-c1ccccc1 ZINC000097999037 559012671 /nfs/dbraw/zinc/01/26/71/559012671.db2.gz RKGGBTHVFCMTMR-KTKRTIGZSA-N 0 0 417.425 4.114 50 30 HIEARN C=CCN(C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(C(=O)OCC)cs1 ZINC000098009182 559018337 /nfs/dbraw/zinc/01/83/37/559018337.db2.gz XWZFZZSUVBKYCX-VURMDHGXSA-N 0 0 421.862 4.114 50 30 HIEARN N#Cc1ccccc1Oc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000033361005 559068759 /nfs/dbraw/zinc/06/87/59/559068759.db2.gz XXAVRKKCERIYQP-UHFFFAOYSA-N 0 0 406.511 4.066 50 30 HIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)c1 ZINC000096325043 559109981 /nfs/dbraw/zinc/10/99/81/559109981.db2.gz WKCZQXNJVIOFOY-QFIPXVFZSA-N 0 0 415.493 4.169 50 30 HIEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000101055992 559142957 /nfs/dbraw/zinc/14/29/57/559142957.db2.gz XNCRWJAOXAQXMC-QFIPXVFZSA-N 0 0 402.450 4.022 50 30 HIEARN COCCn1c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000024048548 559189158 /nfs/dbraw/zinc/18/91/58/559189158.db2.gz VVSUPHFZFJUOPH-ZDUSSCGKSA-N 0 0 414.918 4.327 50 30 HIEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2OC)CC1=O ZINC000004910526 559202352 /nfs/dbraw/zinc/20/23/52/559202352.db2.gz ALLYLUDBNMJCCC-LJQANCHMSA-N 0 0 419.525 4.406 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cccc(Cl)c1 ZINC000004943492 559214268 /nfs/dbraw/zinc/21/42/68/559214268.db2.gz RBXJTMXJJPQHRT-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN CCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000005030825 559230854 /nfs/dbraw/zinc/23/08/54/559230854.db2.gz ZFDTYYZPPDBYEE-JFLMPSFJSA-N 0 0 414.513 4.277 50 30 HIEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000005030643 559230874 /nfs/dbraw/zinc/23/08/74/559230874.db2.gz FOXYDHCYCFBZHT-PTHMFHIQSA-N 0 0 424.570 4.395 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc2ccccc21 ZINC000005045090 559236491 /nfs/dbraw/zinc/23/64/91/559236491.db2.gz RPORTKZCACFBAU-QFIPXVFZSA-N 0 0 417.461 4.073 50 30 HIEARN CCOc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCCCC4)C2=O)cc1 ZINC000100631668 559247093 /nfs/dbraw/zinc/24/70/93/559247093.db2.gz MNWSGMYCORYXGU-FQEVSTJZSA-N 0 0 421.522 4.045 50 30 HIEARN CCN=C(Nc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000100640158 559249196 /nfs/dbraw/zinc/24/91/96/559249196.db2.gz CJBULKDJBWMULE-KRWDZBQOSA-N 0 0 417.918 4.011 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000019760613 559286681 /nfs/dbraw/zinc/28/66/81/559286681.db2.gz XQSTWVIBYHXLDF-OXJNMPFZSA-N 0 0 401.890 4.030 50 30 HIEARN CCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC ZINC000005268443 560558139 /nfs/dbraw/zinc/55/81/39/560558139.db2.gz BGMPWWUVWJHWQM-GAJHUEQPSA-N 0 0 416.481 4.101 50 30 HIEARN CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000005309084 560563804 /nfs/dbraw/zinc/56/38/04/560563804.db2.gz CQWFULCCGCWXDR-UHFFFAOYSA-N 0 0 403.920 4.282 50 30 HIEARN COc1ccc(-c2nc3c4c(ncn3n2)OC(C)=C(C(C)=O)[C@@H]4c2ccccc2)cc1 ZINC000005350594 560568837 /nfs/dbraw/zinc/56/88/37/560568837.db2.gz YLSPLKWMPHORTD-FQEVSTJZSA-N 0 0 412.449 4.187 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccco1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000005351791 560569115 /nfs/dbraw/zinc/56/91/15/560569115.db2.gz SQJMFSHCCFMTPQ-SFHVURJKSA-N 0 0 402.385 4.055 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005446184 560588224 /nfs/dbraw/zinc/58/82/24/560588224.db2.gz RPXLYXKELRGIKK-AZUAARDMSA-N 0 0 411.885 4.406 50 30 HIEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000018037244 560773160 /nfs/dbraw/zinc/77/31/60/560773160.db2.gz DRYURCTXCGSRSC-HXUWFJFHSA-N 0 0 406.388 4.138 50 30 HIEARN COc1cccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@@H]2c2cccc(OC)c2)c1 ZINC000018193920 560782252 /nfs/dbraw/zinc/78/22/52/560782252.db2.gz TWTWULGECOBPLX-IPACTHBOSA-N 0 0 415.493 4.081 50 30 HIEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313989 560791549 /nfs/dbraw/zinc/79/15/49/560791549.db2.gz ZFEQTFKSWTUIGO-MRJHHRETSA-N 0 0 416.433 4.174 50 30 HIEARN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000101503844 560796578 /nfs/dbraw/zinc/79/65/78/560796578.db2.gz HJIZYKOTRVQSPO-MOBKVPTQSA-N 0 0 412.445 4.271 50 30 HIEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000101790362 560801326 /nfs/dbraw/zinc/80/13/26/560801326.db2.gz ZGJPZSCLCQVATJ-AXKWSIDASA-N 0 0 407.853 4.340 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc(C)c(C)s1 ZINC000102543688 560814596 /nfs/dbraw/zinc/81/45/96/560814596.db2.gz QUXNWHFBEOIMSB-WOOAAIBNSA-N 0 0 420.490 4.395 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102583841 560816987 /nfs/dbraw/zinc/81/69/87/560816987.db2.gz RSGMLABIFNBABO-LFVOPCPISA-N 0 0 415.873 4.276 50 30 HIEARN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCc2ccccc2)C1 ZINC000102680864 560821175 /nfs/dbraw/zinc/82/11/75/560821175.db2.gz KZKWECNOANXDFR-NSHGMRRFSA-N 0 0 413.525 4.036 50 30 HIEARN O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccco1 ZINC000102732796 560822639 /nfs/dbraw/zinc/82/26/39/560822639.db2.gz PQUDGBSFMNKUHN-DPEHCCBOSA-N 0 0 416.220 4.003 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 ZINC000102735405 560822886 /nfs/dbraw/zinc/82/28/86/560822886.db2.gz MRLZDWLIWGYDFI-IUOUCKIRSA-N 0 0 415.445 4.225 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102882410 560833963 /nfs/dbraw/zinc/83/39/63/560833963.db2.gz BIHSNZDLVCXUDC-SELCWUDQSA-N 0 0 410.882 4.418 50 30 HIEARN O=C1[C@H](c2ccccc2)S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 ZINC000102922752 560834186 /nfs/dbraw/zinc/83/41/86/560834186.db2.gz MAGWHHLITARTQY-SKQREZPOSA-N 0 0 414.533 4.314 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(O)c2)sc1C ZINC000102929030 560834744 /nfs/dbraw/zinc/83/47/44/560834744.db2.gz YCWSEDMHRDOGMR-GHNGSUTGSA-N 0 0 406.463 4.092 50 30 HIEARN COc1ccc(C(=O)C=CNc2ccc(I)cc2)cc1OC ZINC000102965189 560836206 /nfs/dbraw/zinc/83/62/06/560836206.db2.gz BJASLAIWTRTCIG-KTKRTIGZSA-N 0 0 409.223 4.117 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000104076943 560848029 /nfs/dbraw/zinc/84/80/29/560848029.db2.gz SBEFTTPXCQKISB-NHFXJNLRSA-N 0 0 418.380 4.360 50 30 HIEARN Cc1ccc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1Cl ZINC000104101919 560848153 /nfs/dbraw/zinc/84/81/53/560848153.db2.gz NMDAVBDIBJTKAG-OAHLLOKOSA-N 0 0 405.841 4.381 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000104130935 560848422 /nfs/dbraw/zinc/84/84/22/560848422.db2.gz ICIZWYZDRGSFRJ-MOBKVPTQSA-N 0 0 401.437 4.490 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000104198490 560849786 /nfs/dbraw/zinc/84/97/86/560849786.db2.gz IUZANUCAQDKMIP-MOBKVPTQSA-N 0 0 415.493 4.012 50 30 HIEARN COc1ccc(CN2C(N)=C(C#N)[C@@]3(c4ccccc4NC3=O)C3=C2CCCC3)cc1 ZINC000104494715 560851791 /nfs/dbraw/zinc/85/17/91/560851791.db2.gz UETHKOOPLSSYMI-CJFMBICVSA-N 0 0 412.493 4.346 50 30 HIEARN O=C(Nc1ccc(F)cc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccccc1 ZINC000044859004 560897530 /nfs/dbraw/zinc/89/75/30/560897530.db2.gz MMQWYNWQXTXBGQ-OAQYLSRUSA-N 0 0 402.429 4.297 50 30 HIEARN O=c1c(C=[NH+]C[C@H]2CCCO2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000018022571 568417852 /nfs/dbraw/zinc/41/78/52/568417852.db2.gz NJCCJXFZGQSHMD-BRABVMKYSA-N 0 0 404.495 4.453 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2ccncc2)Nc2cc(C)cc(C)c2)c1 ZINC000045940681 568421987 /nfs/dbraw/zinc/42/19/87/568421987.db2.gz NWNKZSYRBNNOPK-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1cccc(F)c1)NCc1ccccn1 ZINC000046125582 568428476 /nfs/dbraw/zinc/42/84/76/568428476.db2.gz ZGTWLUFDXQABRP-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc2c(c1)OCO2)NCc1ccccn1 ZINC000046126782 568428682 /nfs/dbraw/zinc/42/86/82/568428682.db2.gz HJTNYIMHHRPHAZ-UHFFFAOYSA-N 0 0 422.872 4.170 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(F)c(F)c1)NCc1ccccn1 ZINC000046126533 568428688 /nfs/dbraw/zinc/42/86/88/568428688.db2.gz AFJTVSCPVBBBFR-UHFFFAOYSA-N 0 0 410.424 4.075 50 30 HIEARN CC(=O)Nc1cc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)cc2)ccc1C ZINC000046127642 568428914 /nfs/dbraw/zinc/42/89/14/568428914.db2.gz NUTKBROLLNCAQD-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(C)c2C)cc1 ZINC000046128094 568428947 /nfs/dbraw/zinc/42/89/47/568428947.db2.gz NOTVZESHPKHYRH-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN COc1ccccc1NC(=NC(=O)c1ccc(C(F)(F)F)cc1)NC[C@H]1CCCO1 ZINC000046130972 568429302 /nfs/dbraw/zinc/42/93/02/568429302.db2.gz IUXIVDIELCDMLD-MRXNPFEDSA-N 0 0 421.419 4.091 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C(F)(F)F)c2)c1 ZINC000046133094 568430261 /nfs/dbraw/zinc/43/02/61/568430261.db2.gz GTIIPXMCPFYQLZ-GOSISDBHSA-N 0 0 421.419 4.091 50 30 HIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1cccc(N(C)C)c1)NC[C@H]1CCCO1 ZINC000046132825 568430270 /nfs/dbraw/zinc/43/02/70/568430270.db2.gz SEXGJNKMIRKERB-LJQANCHMSA-N 0 0 414.937 4.091 50 30 HIEARN COc1ccc(N2C(=O)[C@H](Oc3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)cc1 ZINC000048324973 568438431 /nfs/dbraw/zinc/43/84/31/568438431.db2.gz IBWJODXSBJOKOW-DHIUTWEWSA-N 0 0 400.434 4.111 50 30 HIEARN C[C@@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000024830750 568469887 /nfs/dbraw/zinc/46/98/87/568469887.db2.gz AXWUHYNQANDBBH-HNNXBMFYSA-N 0 0 408.506 4.371 50 30 HIEARN CN(C)c1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 ZINC000003176723 568477732 /nfs/dbraw/zinc/47/77/32/568477732.db2.gz PLYMSZMCQPYYEM-UHFFFAOYSA-N 0 0 410.930 4.246 50 30 HIEARN CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000000801592 568484760 /nfs/dbraw/zinc/48/47/60/568484760.db2.gz RGYFHFVZVIOUAU-HXUWFJFHSA-N 0 0 420.490 4.320 50 30 HIEARN CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000000801591 568484785 /nfs/dbraw/zinc/48/47/85/568484785.db2.gz RGYFHFVZVIOUAU-FQEVSTJZSA-N 0 0 420.490 4.320 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1OC)Nc1ccccc1-2 ZINC000002874386 568509172 /nfs/dbraw/zinc/50/91/72/568509172.db2.gz HCBYUFANYRSXBP-LJQANCHMSA-N 0 0 408.483 4.337 50 30 HIEARN COc1ccccc1NC(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C ZINC000000838414 568515654 /nfs/dbraw/zinc/51/56/54/568515654.db2.gz KQEDWSKTEUBZFK-UHFFFAOYSA-N 0 0 411.508 4.432 50 30 HIEARN CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N ZINC000019946988 568585898 /nfs/dbraw/zinc/58/58/98/568585898.db2.gz UFZFZKWFQIVUBF-UHFFFAOYSA-N 0 0 400.891 4.163 50 30 HIEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000020357398 568599964 /nfs/dbraw/zinc/59/99/64/568599964.db2.gz LLTLKJKJDWRXLU-RFBIWTDZSA-N 0 0 410.521 4.242 50 30 HIEARN CC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)[C@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000020367496 568601615 /nfs/dbraw/zinc/60/16/15/568601615.db2.gz KBRPDVYASZCBRC-NRFANRHFSA-N 0 0 422.447 4.202 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 ZINC000003002048 568612183 /nfs/dbraw/zinc/61/21/83/568612183.db2.gz DTBQKZWQPGQIJU-LOWQCSRCSA-N 0 0 409.427 4.162 50 30 HIEARN COc1ccc(-c2c3c(C)nn(-c4ccc(F)cc4)c3nc(N)c2C#N)cc1OC ZINC000020533209 568625780 /nfs/dbraw/zinc/62/57/80/568625780.db2.gz PKNSYZKRYIFYEB-UHFFFAOYSA-N 0 0 403.417 4.006 50 30 HIEARN CCCCc1nc(OCC(=O)Nc2ccccc2OC)c(C#N)c2c1COC(C)(C)C2 ZINC000095475938 568630327 /nfs/dbraw/zinc/63/03/27/568630327.db2.gz IISYYSBSMCDUMH-UHFFFAOYSA-N 0 0 423.513 4.173 50 30 HIEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)O[C@H](C)C4)o3)o2)cc1 ZINC000012418942 568718939 /nfs/dbraw/zinc/71/89/39/568718939.db2.gz AAZLLCBBLFGUQG-HUUCEWRRSA-N 0 0 409.442 4.007 50 30 HIEARN N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000012418801 568719206 /nfs/dbraw/zinc/71/92/06/568719206.db2.gz ZYMRJYOYTITFSY-BQYQJAHWSA-N 0 0 424.913 4.394 50 30 HIEARN COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OC)c1OC ZINC000000953919 568756913 /nfs/dbraw/zinc/75/69/13/568756913.db2.gz AREDPUUMQZEFFF-STMXVASLSA-N 0 0 412.511 4.422 50 30 HIEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1c(Cl)nc2ccccn12 ZINC000000951617 568757233 /nfs/dbraw/zinc/75/72/33/568757233.db2.gz DRLMLGIUXQVARF-AUEPDCJTSA-N 0 0 405.870 4.308 50 30 HIEARN Cc1cc(OCC(=O)c2ccccc2)nc(SCC(=O)c2ccccc2)c1C#N ZINC000000971691 568759195 /nfs/dbraw/zinc/75/91/95/568759195.db2.gz WBFIQWBCHWBBDG-UHFFFAOYSA-N 0 0 402.475 4.498 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1C ZINC000001010094 568762751 /nfs/dbraw/zinc/76/27/51/568762751.db2.gz QVCGRBDMSATYLE-DYESRHJHSA-N 0 0 403.478 4.243 50 30 HIEARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1C#N ZINC000001017063 568762943 /nfs/dbraw/zinc/76/29/43/568762943.db2.gz DTRCJMKHZKQJBD-SNVBAGLBSA-N 0 0 424.092 4.489 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000001104388 568771836 /nfs/dbraw/zinc/77/18/36/568771836.db2.gz CFVVGMHKYJXWHF-OAQYLSRUSA-N 0 0 419.477 4.120 50 30 HIEARN C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000052660521 568775069 /nfs/dbraw/zinc/77/50/69/568775069.db2.gz MBMAHPOTOBGHEW-AWEZNQCLSA-N 0 0 411.527 4.489 50 30 HIEARN COc1ccccc1N(CCC#N)C(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000002621275 568787803 /nfs/dbraw/zinc/78/78/03/568787803.db2.gz OBCVFJHWOXDCRJ-UHFFFAOYSA-N 0 0 400.891 4.264 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000002621428 568787808 /nfs/dbraw/zinc/78/78/08/568787808.db2.gz KOVUCAFCZGNYJC-QFIPXVFZSA-N 0 0 423.517 4.220 50 30 HIEARN C=CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000002744968 568806185 /nfs/dbraw/zinc/80/61/85/568806185.db2.gz FSPYJZSBRBTQRJ-UHFFFAOYSA-N 0 0 415.469 4.085 50 30 HIEARN CCCCOc1ccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc1OC ZINC000002752511 568806724 /nfs/dbraw/zinc/80/67/24/568806724.db2.gz FAAJLANPAMKTGK-QFIPXVFZSA-N 0 0 410.539 4.393 50 30 HIEARN N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000029072312 568817779 /nfs/dbraw/zinc/81/77/79/568817779.db2.gz MCIQFFYNBJYXPL-KRWDZBQOSA-N 0 0 424.551 4.393 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@H]4CC[C@](C)(OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000257358560 568818198 /nfs/dbraw/zinc/81/81/98/568818198.db2.gz VDMRSWDDYYBJOQ-TYYBBMATSA-N 0 0 402.531 4.382 50 30 HIEARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000005866924 568826813 /nfs/dbraw/zinc/82/68/13/568826813.db2.gz QOQYZHMTHWYCBQ-IBGZPJMESA-N 0 0 400.862 4.258 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005931328 568829922 /nfs/dbraw/zinc/82/99/22/568829922.db2.gz CSQCQABMFKLXLP-FZKQIMNGSA-N 0 0 424.570 4.291 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931406 568830062 /nfs/dbraw/zinc/83/00/62/568830062.db2.gz ITVFMEDENRGAKJ-BLLLJJGKSA-N 0 0 410.543 4.256 50 30 HIEARN C=CCOc1cc(Br)c(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC ZINC000002087324 568844192 /nfs/dbraw/zinc/84/41/92/568844192.db2.gz WHVIFNWYHMFMMT-MHWRWJLKSA-N 0 0 414.255 4.367 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2C)c1 ZINC000012537398 568845977 /nfs/dbraw/zinc/84/59/77/568845977.db2.gz FIDJKSXQCHSVIR-UHFFFAOYSA-N 0 0 407.495 4.024 50 30 HIEARN Cc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000003042843 568848240 /nfs/dbraw/zinc/84/82/40/568848240.db2.gz BZUUGSRIAKQUEW-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccccc1OC(F)F ZINC000057531517 568852446 /nfs/dbraw/zinc/85/24/46/568852446.db2.gz IUSHUPOTZCBRBC-QGZVFWFLSA-N 0 0 406.454 4.307 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1C1CCCCC1 ZINC000003308115 568853476 /nfs/dbraw/zinc/85/34/76/568853476.db2.gz BRHGXAMSNOAIGS-UHFFFAOYSA-N 0 0 414.531 4.014 50 30 HIEARN CCOC(=O)c1ccc(/N=C/c2cc(C)cc(I)c2O)cc1 ZINC000003150950 568858584 /nfs/dbraw/zinc/85/85/84/568858584.db2.gz XNXZTMXJWBCHHR-VXLYETTFSA-N 0 0 409.223 4.233 50 30 HIEARN N#Cc1cccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c1 ZINC000003235691 568865401 /nfs/dbraw/zinc/86/54/01/568865401.db2.gz ZKEIMYPQAINNRE-UHFFFAOYSA-N 0 0 413.458 4.377 50 30 aggregator HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3nc(Cl)ccc3Cl)sc2C1 ZINC000003266271 568870002 /nfs/dbraw/zinc/87/00/02/568870002.db2.gz YVEKNUSFZAXEDB-SECBINFHSA-N 0 0 424.309 4.242 50 30 HIEARN N#Cc1cccc(S(=O)(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000003324471 568880880 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CCOC(=O)c1sc2nccc(OC)c2c1NC=NOCc1ccccc1OC ZINC000004002353 568932868 /nfs/dbraw/zinc/93/28/68/568932868.db2.gz MXMGFPFKTUIMKY-UHFFFAOYSA-N 0 0 415.471 4.062 50 30 HIEARN O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1N1CCOCC1 ZINC000004052556 568936537 /nfs/dbraw/zinc/93/65/37/568936537.db2.gz NGBQEQAKYGJROX-SRZZPIQSSA-N 0 0 410.257 4.289 50 30 HIEARN CC1(C)CC(=O)C=C(NC[C@H]2c3ccccc3CCN2C(=S)NC2CCCC2)C1 ZINC000004171641 568948366 /nfs/dbraw/zinc/94/83/66/568948366.db2.gz GLMDWTVKRSKELQ-QFIPXVFZSA-N 0 0 411.615 4.266 50 30 HIEARN CNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000032253918 568951466 /nfs/dbraw/zinc/95/14/66/568951466.db2.gz NPOLHVPNACLHLI-UHFFFAOYSA-N 0 0 419.868 4.403 50 30 HIEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2C1 ZINC000004275205 568957967 /nfs/dbraw/zinc/95/79/67/568957967.db2.gz WBMQOOXVLWRYKF-UHFFFAOYSA-N 0 0 415.518 4.367 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@@H](c2cccc(O)c2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000004279867 568958653 /nfs/dbraw/zinc/95/86/53/568958653.db2.gz GUGOUPIUCXFRNT-NRFANRHFSA-N 0 0 416.481 4.317 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc(OC)ccc1OC)Nc1ccccc1-2 ZINC000003640781 568963118 /nfs/dbraw/zinc/96/31/18/568963118.db2.gz PZGAMEPZMRJKBK-IBGZPJMESA-N 0 0 408.483 4.337 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccccc1F ZINC000005829254 568965939 /nfs/dbraw/zinc/96/59/39/568965939.db2.gz XQQXBYHHZLPIAI-IIDMSEBBSA-N 0 0 402.539 4.303 50 30 HIEARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccccc1C#N ZINC000001446343 568968688 /nfs/dbraw/zinc/96/86/88/568968688.db2.gz QSIASWUQUQOIQE-SFHVURJKSA-N 0 0 416.510 4.380 50 30 HIEARN CCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1cccs1 ZINC000004309050 568977999 /nfs/dbraw/zinc/97/79/99/568977999.db2.gz JRAKHMRFDVOIIL-UHFFFAOYSA-N 0 0 403.920 4.282 50 30 HIEARN N#Cc1ccccc1OCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000008189684 568981052 /nfs/dbraw/zinc/98/10/52/568981052.db2.gz GVGXLTCMBYMJIR-UHFFFAOYSA-N 0 0 406.463 4.003 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O ZINC000008282385 568987439 /nfs/dbraw/zinc/98/74/39/568987439.db2.gz JQRLUYHMPWFKRF-JKSUJKDBSA-N 0 0 405.523 4.041 50 30 HIEARN C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3nccs3)c(C)c2cc1Cl ZINC000013629945 569000434 /nfs/dbraw/zinc/00/04/34/569000434.db2.gz HJICXNJRGBSVNB-UHFFFAOYSA-N 0 0 404.875 4.347 50 30 HIEARN Cc1ccc(C(=N)NC(NC(=O)c2cccc(C)c2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000008445292 569003769 /nfs/dbraw/zinc/00/37/69/569003769.db2.gz MAQILBVKIIHFNA-UHFFFAOYSA-N 0 0 417.353 4.260 50 30 HIEARN C=C(Cl)CSc1nnc(CCNC(=O)CC2CCCC2)n1-c1ccc(F)cc1 ZINC000014994460 569003945 /nfs/dbraw/zinc/00/39/45/569003945.db2.gz WDTXCNHHJVGDEU-UHFFFAOYSA-N 0 0 422.957 4.490 50 30 HIEARN C#CCN1C(=O)S/C(=C\c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O ZINC000015012941 569004412 /nfs/dbraw/zinc/00/44/12/569004412.db2.gz ACYHHRVYILKMKZ-MKVLZVNKSA-N 0 0 424.316 4.305 50 30 HIEARN C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)OCC ZINC000000710358 569006028 /nfs/dbraw/zinc/00/60/28/569006028.db2.gz GMVAOABSCANYMQ-UHFFFAOYSA-N 0 0 406.558 4.021 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccnc1 ZINC000002383334 569007187 /nfs/dbraw/zinc/00/71/87/569007187.db2.gz SGJFZACUEXWCAW-UHFFFAOYSA-N 0 0 415.316 4.264 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccccc1OC ZINC000002453938 569007321 /nfs/dbraw/zinc/00/73/21/569007321.db2.gz FEMUPFLVGFHBDS-UHFFFAOYSA-N 0 0 424.526 4.269 50 30 HIEARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001517272 569007637 /nfs/dbraw/zinc/00/76/37/569007637.db2.gz VMIQAFJXWYHJMU-UHFFFAOYSA-N 0 0 402.829 4.314 50 30 HIEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)c1 ZINC000006134349 569014219 /nfs/dbraw/zinc/01/42/19/569014219.db2.gz OQELCCXRFXEEAA-FQEVSTJZSA-N 0 0 420.490 4.320 50 30 HIEARN CN(C)c1ccc(/C=N\N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000006142417 569014353 /nfs/dbraw/zinc/01/43/53/569014353.db2.gz VZXDTSOMVXRVOU-SXOHWRJOSA-N 0 0 421.353 4.224 50 30 HIEARN C=CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017090729 569016914 /nfs/dbraw/zinc/01/69/14/569016914.db2.gz FLPPGTYNSPRLJI-LBPRGKRZSA-N 0 0 416.532 4.172 50 30 HIEARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C#N)cc3)sc2c1 ZINC000015868212 569017053 /nfs/dbraw/zinc/01/70/53/569017053.db2.gz FQMQHEKQRGIQHV-INIZCTEOSA-N 0 0 415.478 4.145 50 30 HIEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1ccc(Br)cc1Br ZINC000012889551 569019864 /nfs/dbraw/zinc/01/98/64/569019864.db2.gz AWQIVYZHJQIWRS-SNVBAGLBSA-N 0 0 424.092 4.489 50 30 HIEARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc(CC#N)cc1 ZINC000012906459 569021330 /nfs/dbraw/zinc/02/13/30/569021330.db2.gz FKFWYVRMRCIXDP-UHFFFAOYSA-N 0 0 424.522 4.255 50 30 HIEARN Cc1cc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n2c3ccccc3nc2c1C#N ZINC000006244615 569034624 /nfs/dbraw/zinc/03/46/24/569034624.db2.gz XVUXGVDLIOPGPK-UHFFFAOYSA-N 0 0 416.506 4.119 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000006294819 569038203 /nfs/dbraw/zinc/03/82/03/569038203.db2.gz DFRPEMVSVMQLLM-NRFANRHFSA-N 0 0 419.433 4.075 50 30 HIEARN CC(C)(C)OC(=O)Oc1ccc(C#C[Si](C)(C)C)nc1I ZINC000169794085 569039177 /nfs/dbraw/zinc/03/91/77/569039177.db2.gz GQCXQIDDGFOWAC-UHFFFAOYSA-N 0 0 417.319 4.229 50 30 HIEARN Cc1ccccc1OCc1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000026580388 569040095 /nfs/dbraw/zinc/04/00/95/569040095.db2.gz DRLBRJBHKGSCSM-UHFFFAOYSA-N 0 0 408.889 4.414 50 30 HIEARN COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1 ZINC000054151494 569059956 /nfs/dbraw/zinc/05/99/56/569059956.db2.gz XBDQMHPHQAARSZ-VAWYXSNFSA-N 0 0 400.482 4.047 50 30 HIEARN Cc1cccc(Nc2nnc(SCC(=O)NC3(C#N)CCCCC3)s2)c1C ZINC000006508154 569061827 /nfs/dbraw/zinc/06/18/27/569061827.db2.gz POLULJNRGALLOZ-UHFFFAOYSA-N 0 0 401.561 4.333 50 30 HIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000006549505 569064877 /nfs/dbraw/zinc/06/48/77/569064877.db2.gz NNJOVTORTFVCCL-UHFFFAOYSA-N 0 0 417.538 4.492 50 30 HIEARN COc1cccc(-n2c(-c3ccccc3)cnc2SCC(=O)N(C)CCC#N)c1 ZINC000006587640 569067888 /nfs/dbraw/zinc/06/78/88/569067888.db2.gz ALMXYGYWYWYYSO-UHFFFAOYSA-N 0 0 406.511 4.012 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000005045124 569071597 /nfs/dbraw/zinc/07/15/97/569071597.db2.gz KJCPEZPYBWRIRQ-INIZCTEOSA-N 0 0 410.253 4.201 50 30 HIEARN CCOc1cc(C(=O)ONC(=N)c2ccc(Cl)cc2)cc(OCC)c1OCC ZINC000004907015 569071660 /nfs/dbraw/zinc/07/16/60/569071660.db2.gz NQZLTJKPCLGKIL-UHFFFAOYSA-N 0 0 406.866 4.013 50 30 HIEARN C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1cccc(F)c1)CC2 ZINC000064754534 569089562 /nfs/dbraw/zinc/08/95/62/569089562.db2.gz XSFIURHTUMQRDR-UHFFFAOYSA-N 0 0 404.441 4.224 50 30 HIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064797882 569096604 /nfs/dbraw/zinc/09/66/04/569096604.db2.gz FBLJNZHCKDXSCL-GOSISDBHSA-N 0 0 423.515 4.067 50 30 HIEARN COc1ccc(OC)c([C@H]2C3C(=O)CCCC3=Nc3nc(-c4cccc(C)c4)nn32)c1 ZINC000006732448 569103474 /nfs/dbraw/zinc/10/34/74/569103474.db2.gz CBEVUAINNMQHNB-QFIPXVFZSA-N 0 0 416.481 4.293 50 30 HIEARN CCSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1C(=O)CCCC1=N2 ZINC000006738214 569106437 /nfs/dbraw/zinc/10/64/37/569106437.db2.gz OQLPCFNJVGUFGE-OAHLLOKOSA-N 0 0 405.321 4.175 50 30 HIEARN CCn1c2ccccc2c2cc(C=NN3C(=S)N=NC3c3cc(C)[nH]n3)ccc21 ZINC000006785934 569121859 /nfs/dbraw/zinc/12/18/59/569121859.db2.gz CPRYOLMVLYEMHD-WSDLNYQXSA-N 0 0 401.499 4.275 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000006813579 569136931 /nfs/dbraw/zinc/13/69/31/569136931.db2.gz TVJUWSBWUAFMJB-HKUYNNGSSA-N 0 0 415.848 4.236 50 30 HIEARN CC(C)[C@@H](NC(=O)Cn1cc(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987006 569145232 /nfs/dbraw/zinc/14/52/32/569145232.db2.gz XTOUXSDZTCJFAG-XMMPIXPASA-N 0 0 403.482 4.188 50 30 HIEARN COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1ccccc1Br ZINC000036392006 569167426 /nfs/dbraw/zinc/16/74/26/569167426.db2.gz OMIBZMUWEQLRSC-UHFFFAOYSA-N 0 0 417.303 4.147 50 30 HIEARN CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000006880974 569167760 /nfs/dbraw/zinc/16/77/60/569167760.db2.gz YXVMTEPCVXKKGA-UHFFFAOYSA-N 0 0 419.312 4.073 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1 ZINC000006881249 569167766 /nfs/dbraw/zinc/16/77/66/569167766.db2.gz GBWGQGOOFBJHTR-UHFFFAOYSA-N 0 0 405.479 4.436 50 30 HIEARN Nc1nc(C(F)(F)F)cc(=O)n1/N=C/c1ccccc1Oc1ccc(Cl)cc1 ZINC000006884431 569168730 /nfs/dbraw/zinc/16/87/30/569168730.db2.gz RZPLYBHRHHHSHT-YSURURNPSA-N 0 0 408.767 4.172 50 30 HIEARN C[C@H](Nc1oc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1C#N)c1ccccc1 ZINC000036627736 569212169 /nfs/dbraw/zinc/21/21/69/569212169.db2.gz OHIVYZGYVFNOAE-INIZCTEOSA-N 0 0 422.510 4.171 50 30 HIEARN N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)oc1NC1CCCCC1 ZINC000036627678 569212185 /nfs/dbraw/zinc/21/21/85/569212185.db2.gz XIDDOPMMAUTYRT-UHFFFAOYSA-N 0 0 414.531 4.132 50 30 HIEARN C=CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000007151122 569226590 /nfs/dbraw/zinc/22/65/90/569226590.db2.gz LKKVXKNXTMWISF-IBGZPJMESA-N 0 0 408.502 4.382 50 30 HIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1c[nH]c2ccccc12 ZINC000170179037 569227122 /nfs/dbraw/zinc/22/71/22/569227122.db2.gz CAUUQZTYVYBEPO-UHFFFAOYSA-N 0 0 400.507 4.046 50 30 HIEARN NC(=NOCc1cc(Cl)c2c(c1)OCCO2)c1cccnc1Oc1ccccc1 ZINC000065626442 569239127 /nfs/dbraw/zinc/23/91/27/569239127.db2.gz TYLAJFYBKNSYFO-UHFFFAOYSA-N 0 0 411.845 4.136 50 30 HIEARN CC(C)(C#N)CCCOc1c(Br)cc(CCO)cc1Br ZINC000170616292 569247425 /nfs/dbraw/zinc/24/74/25/569247425.db2.gz KHNFDPRMYFLQTO-UHFFFAOYSA-N 0 0 405.130 4.455 50 30 HIEARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CN2CCCSc3ccccc32)c1C#N ZINC000009908936 569251869 /nfs/dbraw/zinc/25/18/69/569251869.db2.gz XSJLPAFJAPEKMJ-GOSISDBHSA-N 0 0 424.570 4.097 50 30 HIEARN N#CN=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000013573548 569256111 /nfs/dbraw/zinc/25/61/11/569256111.db2.gz AQCNGPUKCSXFSZ-AWEZNQCLSA-N 0 0 419.293 4.117 50 30 HIEARN C=C(C)COc1cccc(NC(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000089914058 569268420 /nfs/dbraw/zinc/26/84/20/569268420.db2.gz DFTMZXPDFNNJGN-FQEVSTJZSA-N 0 0 415.559 4.240 50 30 HIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000017187402 569276354 /nfs/dbraw/zinc/27/63/54/569276354.db2.gz SLYCLVYGPRJVKU-LBPRGKRZSA-N 0 0 415.808 4.227 50 30 HIEARN COc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000254548077 569276707 /nfs/dbraw/zinc/27/67/07/569276707.db2.gz PGWBKJVMKSZZTR-UHFFFAOYSA-N 0 0 402.450 4.419 50 30 HIEARN C[C@]1(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1(Br)Br ZINC000002103471 569281249 /nfs/dbraw/zinc/28/12/49/569281249.db2.gz CPGWYKURRPYOAT-CYBMUJFWSA-N 0 0 418.154 4.333 50 30 HIEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000002130792 569287099 /nfs/dbraw/zinc/28/70/99/569287099.db2.gz RGAFQLCOTKJJQF-PWKYRQDESA-N 0 0 406.434 4.341 50 30 biogenic HIEARN CC(=O)Nc1ccc(C(C)=NOCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000252475281 569288095 /nfs/dbraw/zinc/28/80/95/569288095.db2.gz XMXYBFCHRLHDFD-MRXNPFEDSA-N 0 0 403.482 4.416 50 30 HIEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(Cl)cc3)S2)c1 ZINC000252593022 569296015 /nfs/dbraw/zinc/29/60/15/569296015.db2.gz BHZVWXQMJFMEJZ-QGZVFWFLSA-N 0 0 417.918 4.329 50 30 HIEARN COc1ccc(C[C@@H]2SC(=NN=Cc3ccco3)N(c3ccccc3)C2=O)cc1 ZINC000252599918 569296799 /nfs/dbraw/zinc/29/67/99/569296799.db2.gz DMRLKRJDAJNMDH-FQEVSTJZSA-N 0 0 405.479 4.369 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3cccc(OC)c3)C(=O)N2CC)cc1 ZINC000252601901 569297024 /nfs/dbraw/zinc/29/70/24/569297024.db2.gz FDOYIEOWLLFFGR-VUARGGTQSA-N 0 0 410.495 4.496 50 30 HIEARN O=C1Nc2ccccc2C1=NN=C1N=C(Nc2ccccc2)C(=Nc2ccccc2)S1 ZINC000252602776 569297133 /nfs/dbraw/zinc/29/71/33/569297133.db2.gz FLGOOTRMXLCLNG-UHFFFAOYSA-N 0 0 424.489 4.496 50 30 HIEARN C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)cc2C1=O ZINC000007641689 569298352 /nfs/dbraw/zinc/29/83/52/569298352.db2.gz MHBJHTONLGPZBX-UHFFFAOYSA-N 0 0 403.463 4.153 50 30 HIEARN N#Cc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 ZINC000007789723 569310672 /nfs/dbraw/zinc/31/06/72/569310672.db2.gz XENMQXWAPCRMKN-UHFFFAOYSA-N 0 0 414.494 4.364 50 30 HIEARN CC(C)c1ccc(-c2nnn(CCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 ZINC000007919362 569322154 /nfs/dbraw/zinc/32/21/54/569322154.db2.gz UHPHOODGSZSZEA-UHFFFAOYSA-N 0 0 420.542 4.304 50 30 HIEARN N#CC(C(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000048553591 569358896 /nfs/dbraw/zinc/35/88/96/569358896.db2.gz HDIWWRRRNVKQGP-OAHLLOKOSA-N 0 0 408.439 4.190 50 30 HIEARN CCOc1ccccc1NC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002295349 569369341 /nfs/dbraw/zinc/36/93/41/569369341.db2.gz OSKQYIQUIGDHRN-CYBMUJFWSA-N 0 0 411.220 4.219 50 30 HIEARN CCCCCCCCNc1cccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000002334583 569375858 /nfs/dbraw/zinc/37/58/58/569375858.db2.gz QSKVWBUQVMSKIY-UHFFFAOYSA-N 0 0 400.523 4.195 50 30 HIEARN CCC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O ZINC000002352996 569383563 /nfs/dbraw/zinc/38/35/63/569383563.db2.gz HZFOUUWXUMDLRU-IIGRLWHBSA-N 0 0 411.527 4.338 50 30 HIEARN COc1ccc(OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)cc1 ZINC000009060999 569391411 /nfs/dbraw/zinc/39/14/11/569391411.db2.gz LZNXXHLNEHIVON-UHFFFAOYSA-N 0 0 405.454 4.001 50 30 HIEARN Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(C#N)cc1 ZINC000009582689 569393555 /nfs/dbraw/zinc/39/35/55/569393555.db2.gz SCOMFIKYRVZQSF-UHFFFAOYSA-N 0 0 418.522 4.120 50 30 HIEARN C=CCN(C(=O)/C=C/c1ccccc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000012750678 569403057 /nfs/dbraw/zinc/40/30/57/569403057.db2.gz AGPPZNGMQUYBOD-NTEUORMPSA-N 0 0 424.547 4.446 50 30 HIEARN N=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1ncc(C(F)(F)F)cc1Cl ZINC000012956665 569405261 /nfs/dbraw/zinc/40/52/61/569405261.db2.gz BGTZBTPRFZSIDY-UHFFFAOYSA-N 0 0 411.689 4.250 50 30 HIEARN COc1ccc(/C=N\N=C2/NC(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000013370956 569412852 /nfs/dbraw/zinc/41/28/52/569412852.db2.gz MSCRTPOHJCSEKE-QZPXRHMKSA-N 0 0 408.310 4.166 50 30 HIEARN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN1CCOCC1 ZINC000019808133 569430440 /nfs/dbraw/zinc/43/04/40/569430440.db2.gz YSSMMDVWYXLLGM-UHFFFAOYSA-N 0 0 405.546 4.144 50 30 HIEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000019820663 569430808 /nfs/dbraw/zinc/43/08/08/569430808.db2.gz TVZQTSUTYQWENV-UHFFFAOYSA-N 0 0 415.566 4.368 50 30 HIEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000038654319 571052833 /nfs/dbraw/zinc/05/28/33/571052833.db2.gz HKHITKAKOVVABA-UHFFFAOYSA-N 0 0 404.901 4.293 50 30 HIEARN CSc1nc(NCCOC(=O)c2cccc(C)c2)c(C#N)c(-c2ccccc2)n1 ZINC000008844204 571124865 /nfs/dbraw/zinc/12/48/65/571124865.db2.gz YSQUJZKWKAJKME-UHFFFAOYSA-N 0 0 404.495 4.315 50 30 HIEARN COc1ccc2cc([C@@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000039563643 571133453 /nfs/dbraw/zinc/13/34/53/571133453.db2.gz ZCBATMJZDQORLR-NRFANRHFSA-N 0 0 404.857 4.466 50 30 HIEARN COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1Br ZINC000008919399 571154862 /nfs/dbraw/zinc/15/48/62/571154862.db2.gz DOJPJJPTIXZAHL-UHFFFAOYSA-N 0 0 424.345 4.135 50 30 HIEARN C=CCN1c2ccc(NC(=O)c3ccc(Br)o3)cc2OCC(C)(C)C1=O ZINC000008958768 571181856 /nfs/dbraw/zinc/18/18/56/571181856.db2.gz FHLNSSDJHPPUNX-UHFFFAOYSA-N 0 0 419.275 4.232 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(SC)cc3)C2)cc1 ZINC000009012803 571211018 /nfs/dbraw/zinc/21/10/18/571211018.db2.gz NYFYBTMDVDUYMS-ZHRRBRCNSA-N 0 0 418.522 4.424 50 30 HIEARN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c1 ZINC000009046451 571215623 /nfs/dbraw/zinc/21/56/23/571215623.db2.gz IBNZBLINXRXMLA-NRFANRHFSA-N 0 0 418.424 4.008 50 30 HIEARN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000009060961 571217682 /nfs/dbraw/zinc/21/76/82/571217682.db2.gz GHUOENACFYBVNO-UHFFFAOYSA-N 0 0 419.481 4.173 50 30 HIEARN C=CCSc1nnc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)s1 ZINC000009169612 571233419 /nfs/dbraw/zinc/23/34/19/571233419.db2.gz WXYCMZRYUWMPRU-AWEZNQCLSA-N 0 0 424.979 4.253 50 30 HIEARN C=CCN1c2cc(NS(=O)(=O)c3cc(C)ccc3C)ccc2OCC(C)(C)C1=O ZINC000009171337 571233887 /nfs/dbraw/zinc/23/38/87/571233887.db2.gz NBHIPNMSEQXERM-UHFFFAOYSA-N 0 0 414.527 4.042 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009272343 571244501 /nfs/dbraw/zinc/24/45/01/571244501.db2.gz CWAZOYCPMKGXHG-HXUWFJFHSA-N 0 0 418.405 4.275 50 30 HIEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000009420547 571256958 /nfs/dbraw/zinc/25/69/58/571256958.db2.gz GTWWYRGWLUFWRW-XACIZNRCSA-N 0 0 417.255 4.396 50 30 HIEARN N#Cc1c(SCCC(=O)Nc2nccs2)nc2c(c1C(F)(F)F)CCCC2 ZINC000009423055 571257405 /nfs/dbraw/zinc/25/74/05/571257405.db2.gz FBGJDXHGYVKYDR-UHFFFAOYSA-N 0 0 412.462 4.428 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000009507853 571263786 /nfs/dbraw/zinc/26/37/86/571263786.db2.gz RCYUUFKCIQJQDK-UHFFFAOYSA-N 0 0 412.689 4.292 50 30 HIEARN Cc1sc2nc(-c3cccs3)nc(NCCCc3[nH]nc(N)c3C#N)c2c1C ZINC000009515711 571264848 /nfs/dbraw/zinc/26/48/48/571264848.db2.gz SPNUZWHEWDTOGK-UHFFFAOYSA-N 0 0 409.544 4.258 50 30 HIEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1 ZINC000009585749 571271324 /nfs/dbraw/zinc/27/13/24/571271324.db2.gz MRLGMDUBWKXYEC-UHFFFAOYSA-N 0 0 406.935 4.250 50 30 HIEARN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@H]2c2cccn2C)c1C#N ZINC000009605519 571273216 /nfs/dbraw/zinc/27/32/16/571273216.db2.gz MSNPIGFLENIXOS-QFIPXVFZSA-N 0 0 419.504 4.219 50 30 HIEARN Cc1cc2nnc(SCC(=O)N(CCC#N)c3ccc(F)cc3)n2c2ccccc12 ZINC000009637684 571275187 /nfs/dbraw/zinc/27/51/87/571275187.db2.gz FPFXHWXXMGCHEO-UHFFFAOYSA-N 0 0 419.485 4.369 50 30 HIEARN C=CCc1ccccc1OCCSc1nc(-c2ccccc2C)nc2cc(=O)[nH]n21 ZINC000009640609 571275571 /nfs/dbraw/zinc/27/55/71/571275571.db2.gz JHHXRVHDKBWYTJ-UHFFFAOYSA-N 0 0 418.522 4.293 50 30 HIEARN N#CCCN(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000009644147 571276186 /nfs/dbraw/zinc/27/61/86/571276186.db2.gz AWPWHVKPIHQBFY-UHFFFAOYSA-N 0 0 412.660 4.145 50 30 HIEARN N#Cc1c(NC(=O)CNc2ccccc2C(=O)Nc2ccccc2)sc2c1CCC2 ZINC000009861417 571288698 /nfs/dbraw/zinc/28/86/98/571288698.db2.gz XNJDLUYTFFDLED-UHFFFAOYSA-N 0 0 416.506 4.411 50 30 HIEARN COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004957011 845075051 /nfs/dbraw/zinc/07/50/51/845075051.db2.gz LOIFDSPLQVMMMU-ZHQJDRHOSA-N 0 0 405.454 4.420 50 30 HIEARN O=C(C=CNc1ccccc1C(=O)OCC(=O)c1c[nH]c2ccccc12)C(F)(F)F ZINC000009126980 845561278 /nfs/dbraw/zinc/56/12/78/845561278.db2.gz KJZGHDBGZGZPQE-MDZDMXLPSA-N 0 0 416.355 4.265 50 30 HIEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)c(CSc3ncccn3)c2)cc1 ZINC000009425379 845569568 /nfs/dbraw/zinc/56/95/68/845569568.db2.gz XCQAAVLIVZUGAP-UXBLZVDNSA-N 0 0 420.490 4.460 50 30 HIEARN C#Cc1cccc(C(=O)N2CCc3ccc(NC(=O)c4ccccc4OC)cc3C2)c1 ZINC000011770375 845831578 /nfs/dbraw/zinc/83/15/78/845831578.db2.gz XPWMYRPIDDEPEF-UHFFFAOYSA-N 0 0 410.473 4.127 50 30 HIEARN C[C@H](CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1ccccc1 ZINC000013097132 845906230 /nfs/dbraw/zinc/90/62/30/845906230.db2.gz NOOGKEDDFAJQAU-QGZVFWFLSA-N 0 0 413.543 4.070 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC ZINC000013135212 845906574 /nfs/dbraw/zinc/90/65/74/845906574.db2.gz YJCXAMSROSLOLD-GQCTYLIASA-N 0 0 405.244 4.481 50 30 HIEARN COc1cccc(/C=C\C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000033470909 848135442 /nfs/dbraw/zinc/13/54/42/848135442.db2.gz BIBYNZTTWCEZSP-KHPPLWFESA-N 0 0 410.495 4.092 50 30 HIEARN C=CCOc1ccc(/C=C\C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000098008868 852651059 /nfs/dbraw/zinc/65/10/59/852651059.db2.gz RLROHTDPEIZXAZ-MOCOYGLXSA-N 0 0 421.493 4.312 50 30 HIEARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccc3ccccc23)C1=O ZINC000254613057 854212837 /nfs/dbraw/zinc/21/28/37/854212837.db2.gz RRFNCNUQCLKOME-QFIPXVFZSA-N 0 0 409.392 4.242 50 30 HIEARN CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc2c(c1)OCO2 ZINC000254771947 854214059 /nfs/dbraw/zinc/21/40/59/854214059.db2.gz SKGYKYSJVDTTBQ-UHFFFAOYSA-N 0 0 417.437 4.350 50 30 HIEARN COCCn1c(C)cc(C=NNC(=S)Nc2ccc(SC(F)F)cc2)c1C ZINC000254863407 854215760 /nfs/dbraw/zinc/21/57/60/854215760.db2.gz PCZBIEZAVFTVMD-UHFFFAOYSA-N 0 0 412.531 4.387 50 30 HIEARN CCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1OC ZINC000254874419 854215848 /nfs/dbraw/zinc/21/58/48/854215848.db2.gz YHKOJOJDJRRQNH-SFHVURJKSA-N 0 0 415.490 4.205 50 30 HIEARN O=c1oc2ccc(Br)cc2cc1-c1nn(-c2ccccc2)cc1C=NO ZINC000263630985 854280489 /nfs/dbraw/zinc/28/04/89/854280489.db2.gz SMGGZEQPDVQYKL-UHFFFAOYSA-N 0 0 410.227 4.216 50 30 HIEARN Cc1cc(NN2CCN(c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000000631138 132229324 /nfs/dbraw/zinc/22/93/24/132229324.db2.gz PRUYTNFPQJQWTC-UHFFFAOYSA-N 0 0 416.916 4.470 50 30 HIEARN Cc1ccc(N2C(=O)N(Cc3ccccc3C#N)c3ccccc3S2(=O)=O)cc1 ZINC000002715880 132257114 /nfs/dbraw/zinc/25/71/14/132257114.db2.gz KVTAGHUJLURLGD-UHFFFAOYSA-N 0 0 403.463 4.202 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2c3ccccc3CC[C@H]2C)c1C#N ZINC000007360430 132324096 /nfs/dbraw/zinc/32/40/96/132324096.db2.gz OOIMKMZDOVBFFV-MRXNPFEDSA-N 0 0 402.498 4.398 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2c3ccccc3CC[C@@H]2C)c1C#N ZINC000007360427 132324115 /nfs/dbraw/zinc/32/41/15/132324115.db2.gz OOIMKMZDOVBFFV-INIZCTEOSA-N 0 0 402.498 4.398 50 30 HIEARN C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc(C)cc1Br ZINC000032934569 518261955 /nfs/dbraw/zinc/26/19/55/518261955.db2.gz VXMSUIKPGTVXCS-GOSISDBHSA-N 0 0 404.329 4.069 50 30 HIEARN C=CCC(=O)NCc1nc(-c2cccc(NC(=O)COc3ccc(C)cc3)c2)oc1C ZINC000011971569 518685873 /nfs/dbraw/zinc/68/58/73/518685873.db2.gz DUCNAHHXRYGONL-UHFFFAOYSA-N 0 0 419.481 4.168 50 30 HIEARN C=CCN(C(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCCC1 ZINC000040156858 518728555 /nfs/dbraw/zinc/72/85/55/518728555.db2.gz AHNWPLRYDDAOEF-DTQAZKPQSA-N 0 0 416.587 4.222 50 30 HIEARN C=CCN(C(=O)Cc1cccs1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000013102642 518735925 /nfs/dbraw/zinc/73/59/25/518735925.db2.gz NBJDCZIVKTUUHZ-UHFFFAOYSA-N 0 0 418.565 4.037 50 30 HIEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(=O)CC ZINC000036052174 518759094 /nfs/dbraw/zinc/75/90/94/518759094.db2.gz AVZVKOPRRFFOKA-UHFFFAOYSA-N 0 0 420.488 4.350 50 30 HIEARN C=CCN(CC(=O)c1c(C)c(C(=O)OC)n(CC)c1C)C(=O)c1ccc(Cl)cc1 ZINC000036018798 518760139 /nfs/dbraw/zinc/76/01/39/518760139.db2.gz NZMVXPSCFJIGPF-UHFFFAOYSA-N 0 0 416.905 4.076 50 30 HIEARN C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)NC1=S ZINC000009637666 518828044 /nfs/dbraw/zinc/82/80/44/518828044.db2.gz BMRPWBFNMLSDGX-UYRXBGFRSA-N 0 0 420.925 4.436 50 30 HIEARN C=CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 ZINC000020731366 518849715 /nfs/dbraw/zinc/84/97/15/518849715.db2.gz SWQZHKMAKXOPDQ-JOCHJYFZSA-N 0 0 404.857 4.336 50 30 HIEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2ccncc2)c(OC)c1 ZINC000028922923 518852589 /nfs/dbraw/zinc/85/25/89/518852589.db2.gz SFHHFTRQZZWWPW-HSZRJFAPSA-N 0 0 401.466 4.422 50 30 HIEARN C=CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000046058768 518931827 /nfs/dbraw/zinc/93/18/27/518931827.db2.gz OZAFZZQTAAHDRI-UHFFFAOYSA-N 0 0 420.943 4.296 50 30 HIEARN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccs2)C(CC)CC)cc1 ZINC000040158092 518956730 /nfs/dbraw/zinc/95/67/30/518956730.db2.gz RQCKJRYNPZOXQC-LJQANCHMSA-N 0 0 406.573 4.120 50 30 HIEARN C=CCOC(=O)C1=C(C)N(Cc2ccc([N+](=O)[O-])cc2)C(=O)C[C@H]1c1cccc(F)c1 ZINC000037574923 518969852 /nfs/dbraw/zinc/96/98/52/518969852.db2.gz TZTZLDCGGPZOTF-FQEVSTJZSA-N 0 0 424.428 4.253 50 30 HIEARN C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2c(F)cccc2F)cc1OC ZINC000007734669 519034923 /nfs/dbraw/zinc/03/49/23/519034923.db2.gz LLOVPXZYTBTTLW-QGZVFWFLSA-N 0 0 417.452 4.360 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2cccc(I)c2)c(OC)c1 ZINC000015305257 519135253 /nfs/dbraw/zinc/13/52/53/519135253.db2.gz XNOVDRWCVHMJBZ-UHFFFAOYSA-N 0 0 423.250 4.046 50 30 HIEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\SC(=N)NC2=O)cc1OCC ZINC000015800515 519144363 /nfs/dbraw/zinc/14/43/63/519144363.db2.gz CFPOWOVAQTVUJP-QNGOZBTKSA-N 0 0 424.522 4.410 50 30 HIEARN C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCC[C@H]3CC)nc2c1=O ZINC000072425306 519149923 /nfs/dbraw/zinc/14/99/23/519149923.db2.gz OSWSHDHGNLQWNF-OAHLLOKOSA-N 0 0 410.905 4.017 50 30 HIEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1nc(C)cs1 ZINC000044085753 519150940 /nfs/dbraw/zinc/15/09/40/519150940.db2.gz SNZVHQYOUPMAKI-UHFFFAOYSA-N 0 0 415.500 4.140 50 30 HIEARN C=CCn1c(N)nnc1S[C@H](C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000032779015 519196076 /nfs/dbraw/zinc/19/60/76/519196076.db2.gz AMCKXMIBPQKORW-CQSZACIVSA-N 0 0 420.542 4.293 50 30 HIEARN C=CCn1c(SCCC23CC4CC(CC(C4)C2)C3)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000021999582 519234107 /nfs/dbraw/zinc/23/41/07/519234107.db2.gz IYZIYUYMZRVXML-IGDKPHCXSA-N 0 0 421.632 4.065 50 30 HIEARN C=CCn1c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020615602 519270169 /nfs/dbraw/zinc/27/01/69/519270169.db2.gz LAZKAAACJCUMDJ-UHFFFAOYSA-N 0 0 405.426 4.262 50 30 HIEARN CC(C)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000025761230 519668536 /nfs/dbraw/zinc/66/85/36/519668536.db2.gz WOAADSLKCLHUDN-GDAWTGGTSA-N 0 0 407.426 4.263 50 30 HIEARN CCCN1CCc2c(sc3ncn4nc(CO/N=C(\C)c5ccccc5)nc4c23)C1 ZINC000020566012 519863996 /nfs/dbraw/zinc/86/39/96/519863996.db2.gz JQGCHMGLYPLXHF-CVKSISIWSA-N 0 0 420.542 4.048 50 30 HIEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000001445523 520528731 /nfs/dbraw/zinc/52/87/31/520528731.db2.gz VWMBEBZZYJEAFW-FQEVSTJZSA-N 0 0 424.447 4.309 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cc(OC)ccc2O)C1=O ZINC000036257784 520533930 /nfs/dbraw/zinc/53/39/30/520533930.db2.gz JWGYBAAUEFXFTE-GZTJUZNOSA-N 0 0 415.442 4.084 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(O)c(O)c2)C1=O ZINC000036258501 520534148 /nfs/dbraw/zinc/53/41/48/520534148.db2.gz STKSPYXAYALDFQ-MHWRWJLKSA-N 0 0 417.870 4.295 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccccc2OC)C1=O ZINC000027550326 520534943 /nfs/dbraw/zinc/53/49/43/520534943.db2.gz WGVZMYXTJCOCEK-AQTBWJFISA-N 0 0 411.479 4.247 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2ccc(O)cc2)C1=O ZINC000036301361 520535864 /nfs/dbraw/zinc/53/58/64/520535864.db2.gz IQHKVJVEOBNNAH-QGOAFFKASA-N 0 0 411.479 4.335 50 30 HIEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2)C1=O ZINC000051366902 520896794 /nfs/dbraw/zinc/89/67/94/520896794.db2.gz HZFOUUWXUMDLRU-MJHJUBQXSA-N 0 0 411.527 4.338 50 30 HIEARN CCOC(=O)[C@@H]1CCCN(c2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)C1 ZINC000019820624 521122434 /nfs/dbraw/zinc/12/24/34/521122434.db2.gz SQJAJWYCYCWSKR-CQSZACIVSA-N 0 0 416.934 4.170 50 30 HIEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(Cl)cc3)S2)c1 ZINC000100248523 521394237 /nfs/dbraw/zinc/39/42/37/521394237.db2.gz BHZVWXQMJFMEJZ-LRWZUSMTSA-N 0 0 417.918 4.329 50 30 HIEARN CCN1C/C(=C\c2ccc(OC)c(OC)c2)C(=O)/C(=C\c2ccc(OC)c(OC)c2)C1 ZINC000016407937 521541239 /nfs/dbraw/zinc/54/12/39/521541239.db2.gz SYNCWLVIOGZJCG-UHWBUFEVSA-N 0 0 423.509 4.093 50 30 HIEARN CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021722929 521711964 /nfs/dbraw/zinc/71/19/64/521711964.db2.gz DIMVPSBABFPXKN-JOCHJYFZSA-N 0 0 409.486 4.396 50 30 HIEARN CN(C)c1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984117 522219086 /nfs/dbraw/zinc/21/90/86/522219086.db2.gz SQIWSFFOIJRRTE-UHFFFAOYSA-N 0 0 404.491 4.402 50 30 HIEARN COc1cc(NC(=O)[C@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cc(OC)c1OC ZINC000049546490 522712208 /nfs/dbraw/zinc/71/22/08/522712208.db2.gz JIQOOALUTZLIJZ-LBPRGKRZSA-N 0 0 413.861 4.168 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1 ZINC000019535975 522878341 /nfs/dbraw/zinc/87/83/41/522878341.db2.gz QKMSODBVRKUPMX-QGZVFWFLSA-N 0 0 404.304 4.226 50 30 biogenic,in-vitro HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1cccs1 ZINC000020562215 522882269 /nfs/dbraw/zinc/88/22/69/522882269.db2.gz SXWUOOHQVKUVBH-MWTRTKDXSA-N 0 0 422.550 4.349 50 30 HIEARN COC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cc(OC)cc(OC)c2)C1=O ZINC000036257243 522895010 /nfs/dbraw/zinc/89/50/10/522895010.db2.gz KMJGXDLADXIQEU-WOJGMQOQSA-N 0 0 411.479 4.166 50 30 HIEARN COC(=O)C1=C(Nc2ccccc2Cl)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000036257349 522897835 /nfs/dbraw/zinc/89/78/35/522897835.db2.gz WDNDCOXJUQWVTP-CXUHLZMHSA-N 0 0 415.854 4.222 50 30 HIEARN C[N@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611162 523344903 /nfs/dbraw/zinc/34/49/03/523344903.db2.gz LOEXTUMFTKFTCW-FMCGGJTJSA-N 0 0 415.445 4.369 50 30 HIEARN COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1Br ZINC000019882215 523439961 /nfs/dbraw/zinc/43/99/61/523439961.db2.gz MMCOZBXNFSOLDI-LPYMAVHISA-N 0 0 422.754 4.263 50 30 HIEARN COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1Br ZINC000000940338 523459412 /nfs/dbraw/zinc/45/94/12/523459412.db2.gz LRYOTCACIFJCQV-KEBDBYFISA-N 0 0 403.305 4.224 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C)o2)cc1F ZINC000026459095 523565017 /nfs/dbraw/zinc/56/50/17/523565017.db2.gz NVHKHLCGCCCUEJ-IBGZPJMESA-N 0 0 411.385 4.107 50 30 HIEARN COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CC(C)(C)N2C)cc1OC ZINC000049543693 523571471 /nfs/dbraw/zinc/57/14/71/523571471.db2.gz IINUIABWYMTUJM-UHFFFAOYSA-N 0 0 411.498 4.211 50 30 HIEARN CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@@H]2c2cccnc2)s1 ZINC000020607195 523877234 /nfs/dbraw/zinc/87/72/34/523877234.db2.gz BBYXTEFEKQIEBN-CQSZACIVSA-N 0 0 405.405 4.011 50 30 HIEARN CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@H]2c2cccnc2)s1 ZINC000020607196 523877282 /nfs/dbraw/zinc/87/72/82/523877282.db2.gz BBYXTEFEKQIEBN-AWEZNQCLSA-N 0 0 405.405 4.011 50 30 HIEARN C[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036427633 524105909 /nfs/dbraw/zinc/10/59/09/524105909.db2.gz MDQNTWSPJZSOSR-YWZLYKJASA-N 0 0 424.501 4.044 50 30 HIEARN COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C21 ZINC000040266950 524819060 /nfs/dbraw/zinc/81/90/60/524819060.db2.gz SCPWKMKQYHDSRG-RNODOKPDSA-N 0 0 406.417 4.197 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC ZINC000009109904 525228574 /nfs/dbraw/zinc/22/85/74/525228574.db2.gz IAGYUVIKKIJPNR-QMHKHESXSA-N 0 0 416.481 4.019 50 30 HIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000040286808 525430729 /nfs/dbraw/zinc/43/07/29/525430729.db2.gz TZBITADCRBXVEH-JLTOFOAXSA-N 0 0 406.417 4.197 50 30 HIEARN Cc1[nH]c2ccccc2c1C=NN=c1nc2[nH]onc-2nc1Nc1ccccc1F ZINC000022339916 525432639 /nfs/dbraw/zinc/43/26/39/525432639.db2.gz ZTYCZGOAYUMBDS-LSHDLFTRSA-N 0 0 402.393 4.131 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NC2CCCC2)cc1 ZINC000032828811 525628091 /nfs/dbraw/zinc/62/80/91/525628091.db2.gz VJNMYJPLGVKCOQ-FQEVSTJZSA-N 0 0 406.511 4.331 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000032682590 525628470 /nfs/dbraw/zinc/62/84/70/525628470.db2.gz KOTLMTAXOIOGPQ-OAQYLSRUSA-N 0 0 420.538 4.357 50 30 HIEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1C#N ZINC000032915671 525679507 /nfs/dbraw/zinc/67/95/07/525679507.db2.gz TYTPOYCYXFJZHX-UHFFFAOYSA-N 0 0 422.435 4.003 50 30 HIEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S1 ZINC000016267423 525750123 /nfs/dbraw/zinc/75/01/23/525750123.db2.gz DCISKDGMWTVTFN-SOFYXZRVSA-N 0 0 417.830 4.177 50 30 HIEARN Cc1ccc(-c2nc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cs2)cc1 ZINC000012992287 525799718 /nfs/dbraw/zinc/79/97/18/525799718.db2.gz UEBUCKVNXIZPFV-OAQYLSRUSA-N 0 0 420.513 4.280 50 30 HIEARN C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036023205 526011504 /nfs/dbraw/zinc/01/15/04/526011504.db2.gz JMGHUWGHODGRLD-SAIXKJTDSA-N 0 0 410.465 4.195 50 30 HIEARN C[C@@H](Sc1nncn1Cc1ccco1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036029680 526019753 /nfs/dbraw/zinc/01/97/53/526019753.db2.gz RPDJHGJNHPDNCB-GEYIUBJWSA-N 0 0 408.527 4.281 50 30 HIEARN N#C[C@@H](C(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(C(F)(F)F)cn1 ZINC000041553041 526493891 /nfs/dbraw/zinc/49/38/91/526493891.db2.gz WPXVZZNLOLMIGW-CQSZACIVSA-N 0 0 407.779 4.371 50 30 HIEARN Cn1c(SCC(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1 ZINC000032865353 527083316 /nfs/dbraw/zinc/08/33/16/527083316.db2.gz XGTAFTGAWYKTRL-AWEZNQCLSA-N 0 0 421.507 4.167 50 30 HIEARN O=C1c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2O/C1=C\c1ccccc1F ZINC000009420241 527123990 /nfs/dbraw/zinc/12/39/90/527123990.db2.gz MSFKGEZFMAESSV-JAIQZWGSSA-N 0 0 414.385 4.349 50 30 HIEARN O=C1c2ccccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1cccc(F)c1 ZINC000020558870 527132813 /nfs/dbraw/zinc/13/28/13/527132813.db2.gz RHEPDPZYNZBBCO-KGENOOAVSA-N 0 0 408.454 4.312 50 30 HIEARN O=C(COc1ccccc1Cc1ccccc1)Nc1nc(CN2CCOCC2)cs1 ZINC000021128786 527586766 /nfs/dbraw/zinc/58/67/66/527586766.db2.gz ABQRSPJDKDNQHZ-UHFFFAOYSA-N 0 0 423.538 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)cc1)Nc1cc(C)ccc1C ZINC000032972692 527628250 /nfs/dbraw/zinc/62/82/50/527628250.db2.gz MFQOWNYMDXOQNB-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN O=C(/C=C\c1cccnc1)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 ZINC000096792781 527658837 /nfs/dbraw/zinc/65/88/37/527658837.db2.gz DBYSPKGCDKGCOR-GHXNOFRVSA-N 0 0 412.898 4.110 50 30 HIEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000033725683 527659410 /nfs/dbraw/zinc/65/94/10/527659410.db2.gz PKNXQUSZSQQXOY-GBJNBNQZSA-N 0 0 407.853 4.340 50 30 HIEARN COc1ccc(N2CCN(c3oc(COc4ccccc4Cl)nc3C#N)CC2)cc1 ZINC000002337317 536703750 /nfs/dbraw/zinc/70/37/50/536703750.db2.gz UXCJRWKSACWOHQ-UHFFFAOYSA-N 0 0 424.888 4.114 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC ZINC000000625714 557022190 /nfs/dbraw/zinc/02/21/90/557022190.db2.gz VJUAZDSCBABZPH-GAJHUEQPSA-N 0 0 403.478 4.230 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OC ZINC000000625712 557022233 /nfs/dbraw/zinc/02/22/33/557022233.db2.gz VJUAZDSCBABZPH-HXOBKFHXSA-N 0 0 403.478 4.230 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl ZINC000000626000 557022499 /nfs/dbraw/zinc/02/24/99/557022499.db2.gz VWNQWGYOXPKGQV-INIZCTEOSA-N 0 0 410.297 4.484 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000000816009 557090499 /nfs/dbraw/zinc/09/04/99/557090499.db2.gz ROLUPHGWBLRRPN-QHCPKHFHSA-N 0 0 424.541 4.074 50 30 HIEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000000849273 557100438 /nfs/dbraw/zinc/10/04/38/557100438.db2.gz SBCWTFVNFNTVLJ-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001062896 557165078 /nfs/dbraw/zinc/16/50/78/557165078.db2.gz REFXNPCYFLRUJG-AUSIDOKSSA-N 0 0 402.494 4.395 50 30 HIEARN CCOC(=O)COc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1Cl ZINC000001154776 557213177 /nfs/dbraw/zinc/21/31/77/557213177.db2.gz NZLNZKFYAYVLKJ-UHFFFAOYSA-N 0 0 405.233 4.398 50 30 HIEARN CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001219239 557247778 /nfs/dbraw/zinc/24/77/78/557247778.db2.gz AAPRCFYIRHJEAD-MRXNPFEDSA-N 0 0 406.316 4.103 50 30 HIEARN 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400.184 4.360 50 30 HIEARN Cc1onc(C(=O)Nc2sc3c(c2C#N)CCC3)c1COc1ccc([N+](=O)[O-])cc1 ZINC000013641197 558849097 /nfs/dbraw/zinc/84/90/97/558849097.db2.gz BZKKAAWEHXQYMU-UHFFFAOYSA-N 0 0 424.438 4.144 50 30 HIEARN CCN1CCN(c2oc(-c3ccc(COc4cc(C)ccc4C)o3)nc2C#N)CC1 ZINC000033027218 558849710 /nfs/dbraw/zinc/84/97/10/558849710.db2.gz UTCRATRXRJMHEJ-UHFFFAOYSA-N 0 0 406.486 4.144 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c(OC)c1 ZINC000013653871 558851056 /nfs/dbraw/zinc/85/10/56/558851056.db2.gz FWTGKIXGYPRUSM-PWKYRQDESA-N 0 0 409.482 4.258 50 30 HIEARN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 ZINC000013684100 558854677 /nfs/dbraw/zinc/85/46/77/558854677.db2.gz DFDRDTKEXWKCQD-LJQANCHMSA-N 0 0 424.453 4.069 50 30 HIEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)s1 ZINC000013728248 558860968 /nfs/dbraw/zinc/86/09/68/558860968.db2.gz AUVFKFPQLRDARQ-GOSISDBHSA-N 0 0 423.469 4.073 50 30 HIEARN CC(=O)CNC(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#N ZINC000013755947 558863631 /nfs/dbraw/zinc/86/36/31/558863631.db2.gz KAYJWWRTOBJFDC-UHFFFAOYSA-N 0 0 419.481 4.224 50 30 HIEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O ZINC000013776092 558868254 /nfs/dbraw/zinc/86/82/54/558868254.db2.gz FGRZWDHVRJPFAH-JMIUGGIZSA-N 0 0 412.438 4.280 50 30 HIEARN COc1ccnc(Oc2ccc(F)cc2)c1C(=O)N=CNOCc1ccc(F)cc1 ZINC000013858375 558887677 /nfs/dbraw/zinc/88/76/77/558887677.db2.gz GJMDCMYSXDOFSK-UHFFFAOYSA-N 0 0 413.380 4.051 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1cccc(OC)c1 ZINC000004700700 558912168 /nfs/dbraw/zinc/91/21/68/558912168.db2.gz RWCSFMJOBUBZGP-MAVBTGMRSA-N 0 0 409.511 4.150 50 30 HIEARN Cc1ccc(NC(=O)C[C@H]2CC3=C(C[C@@H](c4ccc(C)cc4)CC3=O)NC2=O)cc1 ZINC000334160426 558979783 /nfs/dbraw/zinc/97/97/83/558979783.db2.gz DNHSXOUWERSFRA-RTBURBONSA-N 0 0 402.494 4.169 50 30 HIEARN CCCCCCCCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000097987852 559009400 /nfs/dbraw/zinc/00/94/00/559009400.db2.gz IZFUNDQMMNGNQS-UHFFFAOYSA-N 0 0 400.548 4.243 50 30 HIEARN CCCCCCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000098045171 559031941 /nfs/dbraw/zinc/03/19/41/559031941.db2.gz ACRLYYFCDPRVMT-LJQANCHMSA-N 0 0 406.885 4.151 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cccc(F)c1 ZINC000004736332 559035630 /nfs/dbraw/zinc/03/56/30/559035630.db2.gz RGTVUXFYJRDTTI-UHFFFAOYSA-N 0 0 412.490 4.318 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000100554636 559136493 /nfs/dbraw/zinc/13/64/93/559136493.db2.gz LCWGFOKKGFAUMH-QHCPKHFHSA-N 0 0 403.478 4.146 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)S/C1=N/c1cccc(OC)c1 ZINC000101573246 559147393 /nfs/dbraw/zinc/14/73/93/559147393.db2.gz RWCSFMJOBUBZGP-DRGFOCDESA-N 0 0 409.511 4.150 50 30 HIEARN O=C1Nc2ccc(Br)cc2/C1=N/N=C1\CCCc2c3ccccc3[nH]c21 ZINC000004834087 559165101 /nfs/dbraw/zinc/16/51/01/559165101.db2.gz VDYQIVQTHLARIT-JJIBRWJFSA-N 0 0 407.271 4.412 50 30 HIEARN CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N/c1cccc(C(F)(F)F)c1 ZINC000100262399 559190813 /nfs/dbraw/zinc/19/08/13/559190813.db2.gz QQQLGMVYQOHSFE-ZLNYZARCSA-N 0 0 407.417 4.296 50 30 HIEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)SC3)cc1[N+](=O)[O-] ZINC000004904871 559199426 /nfs/dbraw/zinc/19/94/26/559199426.db2.gz QKQCAECMTHETPT-UHFFFAOYSA-N 0 0 403.485 4.357 50 30 HIEARN O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccccc1 ZINC000100492411 559209952 /nfs/dbraw/zinc/20/99/52/559209952.db2.gz GKQLJNIGVJNLSD-QQTULTPQSA-N 0 0 404.470 4.063 50 30 HIEARN CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000004955101 559216458 /nfs/dbraw/zinc/21/64/58/559216458.db2.gz CEJYWJSEJHZTLS-VDDKDFEESA-N 0 0 411.527 4.256 50 30 HIEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000005164217 559275761 /nfs/dbraw/zinc/27/57/61/559275761.db2.gz HDVOYXXURQRTSK-JWHLFPLYSA-N 0 0 403.228 4.006 50 30 HIEARN CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc2ccccc2n1CCC#N ZINC000005267433 560554071 /nfs/dbraw/zinc/55/40/71/560554071.db2.gz FJTZGIWRESBPEA-UHFFFAOYSA-N 0 0 416.909 4.493 50 30 HIEARN Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)[nH]c1Cc1ccccc1 ZINC000005312427 560564216 /nfs/dbraw/zinc/56/42/16/560564216.db2.gz DDCYPNZDNWRFQI-UHFFFAOYSA-N 0 0 408.552 4.462 50 30 HIEARN COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)cc1 ZINC000062001277 560565713 /nfs/dbraw/zinc/56/57/13/560565713.db2.gz KYBAUDRRIABFEK-LSHDLFTRSA-N 0 0 414.461 4.367 50 30 HIEARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc(C#N)c4)c(=O)c23)s1 ZINC000005351963 560569093 /nfs/dbraw/zinc/56/90/93/560569093.db2.gz QBKLKTKAZMBRBY-UHFFFAOYSA-N 0 0 406.492 4.005 50 30 HIEARN C=CCN(Cc1cc(OC)ccc1OC)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000005347927 560570849 /nfs/dbraw/zinc/57/08/49/560570849.db2.gz STLVTBJNDHTODG-UHFFFAOYSA-N 0 0 410.470 4.031 50 30 HIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4)nc3c2[C@@H]1c1ccco1 ZINC000005350435 560571382 /nfs/dbraw/zinc/57/13/82/560571382.db2.gz BUDLDPLRBDYGCH-QGZVFWFLSA-N 0 0 406.829 4.425 50 30 HIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4)nc3c2[C@H]1c1ccco1 ZINC000005350430 560571429 /nfs/dbraw/zinc/57/14/29/560571429.db2.gz BUDLDPLRBDYGCH-KRWDZBQOSA-N 0 0 406.829 4.425 50 30 HIEARN N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 ZINC000002623209 560586075 /nfs/dbraw/zinc/58/60/75/560586075.db2.gz JYOJOKPSHOEMLP-UHFFFAOYSA-N 0 0 415.478 4.189 50 30 HIEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)NCc1ccccc1 ZINC000003321912 560592398 /nfs/dbraw/zinc/59/23/98/560592398.db2.gz LASXLNYFGCCEPK-UHFFFAOYSA-N 0 0 422.554 4.014 50 30 HIEARN C=CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1 ZINC000004285943 560604811 /nfs/dbraw/zinc/60/48/11/560604811.db2.gz YBSHGTXLCPOUBI-UHFFFAOYSA-N 0 0 408.571 4.308 50 30 HIEARN COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@@H]2C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000005527105 560605076 /nfs/dbraw/zinc/60/50/76/560605076.db2.gz DQHSSEBQPVXARH-TXMURAQZSA-N 0 0 402.450 4.464 50 30 HIEARN CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c(O)c1 ZINC000005643987 560636234 /nfs/dbraw/zinc/63/62/34/560636234.db2.gz GBCQXDYDTICGJH-CIAFOILYSA-N 0 0 401.923 4.321 50 30 HIEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000005652730 560637040 /nfs/dbraw/zinc/63/70/40/560637040.db2.gz AFOHYNLNZJESFY-UHFFFAOYSA-N 0 0 407.253 4.204 50 30 HIEARN C#CCn1c2c(cc(F)cc2F)s/c1=N\C(=O)c1cccc(Br)c1 ZINC000100877785 560761856 /nfs/dbraw/zinc/76/18/56/560761856.db2.gz QLSZFUMCUHGPOW-FXBPSFAMSA-N 0 0 407.239 4.118 50 30 HIEARN C=CCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000101211455 560790008 /nfs/dbraw/zinc/79/00/08/560790008.db2.gz VMAKPQDAQDDSQC-HXUWFJFHSA-N 0 0 407.539 4.074 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000101285003 560790619 /nfs/dbraw/zinc/79/06/19/560790619.db2.gz QAJBFUYLJOZQKG-FQEVSTJZSA-N 0 0 414.506 4.098 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc(C)c(C)s1 ZINC000102543681 560814591 /nfs/dbraw/zinc/81/45/91/560814591.db2.gz QUXNWHFBEOIMSB-LFVOPCPISA-N 0 0 420.490 4.395 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1C ZINC000102804879 560826934 /nfs/dbraw/zinc/82/69/34/560826934.db2.gz VXTZORNVMFNAQG-MRJHHRETSA-N 0 0 418.449 4.235 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)o1 ZINC000102797569 560827963 /nfs/dbraw/zinc/82/79/63/560827963.db2.gz NFVPJDRSKUCWOY-WOOAAIBNSA-N 0 0 408.841 4.258 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102800140 560828390 /nfs/dbraw/zinc/82/83/90/560828390.db2.gz JIKMDNCQTCAORB-YDJIHCHBSA-N 0 0 418.380 4.360 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000102873868 560830277 /nfs/dbraw/zinc/83/02/77/560830277.db2.gz AJSDTIPUPLRZCF-MRJHHRETSA-N 0 0 409.482 4.234 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102875211 560830554 /nfs/dbraw/zinc/83/05/54/560830554.db2.gz UGYNOQFPAOTSEE-GHNGSUTGSA-N 0 0 420.292 4.452 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c(C)c1 ZINC000102864119 560832424 /nfs/dbraw/zinc/83/24/24/560832424.db2.gz YYUABTHVPQGBMS-MOBKVPTQSA-N 0 0 414.461 4.021 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102864591 560832556 /nfs/dbraw/zinc/83/25/56/560832556.db2.gz JAUFVBUHVILHTN-JBCNATCCSA-N 0 0 418.449 4.180 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccc2)cc1 ZINC000102879245 560833515 /nfs/dbraw/zinc/83/35/15/560833515.db2.gz KJFCJVYYWDGMHK-LFVOPCPISA-N 0 0 420.490 4.395 50 30 HIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)no1 ZINC000102887098 560834176 /nfs/dbraw/zinc/83/41/76/560834176.db2.gz YQOHRHANIVTCSZ-NHFXJNLRSA-N 0 0 400.390 4.356 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1 ZINC000102931969 560835621 /nfs/dbraw/zinc/83/56/21/560835621.db2.gz OXHIPGCTTURWAC-ZHHPLPSFSA-N 0 0 413.473 4.360 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2cc(Cl)ccc2c1=O ZINC000103356489 560840844 /nfs/dbraw/zinc/84/08/44/560840844.db2.gz MMURDXBMNQFPOY-GRDNDAEWSA-N 0 0 419.978 4.269 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000104084271 560847949 /nfs/dbraw/zinc/84/79/49/560847949.db2.gz ZSMWGFYZBVDXDU-JBCNATCCSA-N 0 0 401.418 4.027 50 30 HIEARN CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)c(OCC)c1 ZINC000005728104 560854556 /nfs/dbraw/zinc/85/45/56/560854556.db2.gz MNDHKTAUGWIJPU-NRFANRHFSA-N 0 0 419.477 4.225 50 30 HIEARN O=c1c(C=[NH+]C[C@H]2CCCO2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000105715299 560877045 /nfs/dbraw/zinc/87/70/45/560877045.db2.gz WSIPWESFQQVGQE-GMPVXANTSA-N 0 0 404.495 4.040 50 30 HIEARN CCC[C@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000005030637 560883694 /nfs/dbraw/zinc/88/36/94/560883694.db2.gz FOXYDHCYCFBZHT-ARGSHCIWSA-N 0 0 424.570 4.395 50 30 HIEARN CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(O)cc1 ZINC000044973508 560898355 /nfs/dbraw/zinc/89/83/55/560898355.db2.gz AKPQKEKCLIHQRW-INIZCTEOSA-N 0 0 410.543 4.467 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C)cc2C)c1 ZINC000045940632 568421840 /nfs/dbraw/zinc/42/18/40/568421840.db2.gz UTLMYBOOTJHYLQ-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCc2ccccn2)cc1OC ZINC000046126575 568428731 /nfs/dbraw/zinc/42/87/31/568428731.db2.gz BAHDQBTXYVQJTF-UHFFFAOYSA-N 0 0 424.888 4.150 50 30 HIEARN COc1ccc(NC(=NC(=O)c2cccc(F)c2)NCc2cccnc2)cc1Cl ZINC000046127996 568428948 /nfs/dbraw/zinc/42/89/48/568428948.db2.gz KXMVJPMRRQBPNL-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(Cl)c2C)cc1 ZINC000046130005 568429183 /nfs/dbraw/zinc/42/91/83/568429183.db2.gz HPVHUQZONKRYMA-GOSISDBHSA-N 0 0 415.921 4.424 50 30 HIEARN N#Cc1c(F)cccc1NCCNC(=O)COC(c1ccccc1)c1ccccc1 ZINC000048342552 568440557 /nfs/dbraw/zinc/44/05/57/568440557.db2.gz RDFVCMAWXMUDRG-UHFFFAOYSA-N 0 0 403.457 4.032 50 30 HIEARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1 ZINC000000648865 568457568 /nfs/dbraw/zinc/45/75/68/568457568.db2.gz OBQVIRKLMQNWQK-UHFFFAOYSA-N 0 0 405.479 4.322 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006720284 568458069 /nfs/dbraw/zinc/45/80/69/568458069.db2.gz WFHNDHYUSDEHFG-JOCHJYFZSA-N 0 0 403.482 4.005 50 30 HIEARN N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)OCc1ccccc1 ZINC000000662209 568460225 /nfs/dbraw/zinc/46/02/25/568460225.db2.gz ZXQWLUQGDWFWQT-UHFFFAOYSA-N 0 0 404.447 4.184 50 30 aggregator HIEARN N#CC1(C#N)[C@H](C(=O)c2ccc(F)cc2)C12CCN(C(=O)OCc1ccccc1)CC2 ZINC000000663792 568460302 /nfs/dbraw/zinc/46/03/02/568460302.db2.gz WFRHIBDSGDKCER-OAQYLSRUSA-N 0 0 417.440 4.091 50 30 HIEARN N#Cc1nc2c(nc1C#N)n(CCc1ccccc1)c(N)c2-c1nc2ccccc2s1 ZINC000000729960 568466090 /nfs/dbraw/zinc/46/60/90/568466090.db2.gz YWVWOCCKNDZPSU-UHFFFAOYSA-N 0 0 421.489 4.276 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(F)c3F)C2)cc1 ZINC000012321594 568471074 /nfs/dbraw/zinc/47/10/74/568471074.db2.gz WYTHGOMKZLPFOR-YUNKPMOVSA-N 0 0 424.407 4.336 50 30 HIEARN CC(=O)c1ccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000012324951 568471602 /nfs/dbraw/zinc/47/16/02/568471602.db2.gz LAKYGESVOJARLE-UHFFFAOYSA-N 0 0 421.497 4.148 50 30 HIEARN COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCCCC3)cc1OC ZINC000000803833 568484355 /nfs/dbraw/zinc/48/43/55/568484355.db2.gz WOZBKDPAIVLXFR-UHFFFAOYSA-N 0 0 411.527 4.360 50 30 HIEARN N#Cc1c2c(sc1NC(=O)[C@H]1CC(c3c(F)cccc3Cl)=NO1)CCCC2 ZINC000000814888 568490030 /nfs/dbraw/zinc/49/00/30/568490030.db2.gz AJZJGMLKRGUNOG-OAHLLOKOSA-N 0 0 403.866 4.423 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000002859326 568508976 /nfs/dbraw/zinc/50/89/76/568508976.db2.gz CUJPRTRNYKEKOK-UHFFFAOYSA-N 0 0 409.471 4.079 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000002875711 568509296 /nfs/dbraw/zinc/50/92/96/568509296.db2.gz FYAYJFPZERQFPJ-UHFFFAOYSA-N 0 0 423.498 4.002 50 30 HIEARN N#C[C@H]1N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CCC[C@]12CCCCO2 ZINC000225730019 568668725 /nfs/dbraw/zinc/66/87/25/568668725.db2.gz SALCTFOVNQOFPB-VQIMIIECSA-N 0 0 406.408 4.183 50 30 HIEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3ccc(O)cc3)C12 ZINC000012391691 568696291 /nfs/dbraw/zinc/69/62/91/568696291.db2.gz ABXOXHZYVKDATD-BFUOFWGJSA-N 0 0 408.845 4.408 50 30 HIEARN C=C(C)COc1ccc([C@H](CC(=O)OC)c2c3[nH]snc-3ccc2=O)cc1OC ZINC000096232173 568707787 /nfs/dbraw/zinc/70/77/87/568707787.db2.gz VBOKUXUDKLXXOD-AWEZNQCLSA-N 0 0 414.483 4.055 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(OC)cc3)C2)cc1 ZINC000012407375 568711956 /nfs/dbraw/zinc/71/19/56/568711956.db2.gz XFKLBKDCJYFOQF-BTYIYWSLSA-N 0 0 418.453 4.066 50 30 HIEARN COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1 ZINC000012408549 568712415 /nfs/dbraw/zinc/71/24/15/568712415.db2.gz WYJVGZPFKSOWPD-JEOXALJRSA-N 0 0 424.482 4.128 50 30 HIEARN C[C@@H]1OP(=O)([C@@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@H]1C ZINC000230052175 568716645 /nfs/dbraw/zinc/71/66/45/568716645.db2.gz NUIIPODSFKKMFW-ATZCPNFKSA-N 0 0 423.638 4.105 50 30 HIEARN Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)o2)cc1 ZINC000012418239 568718615 /nfs/dbraw/zinc/71/86/15/568718615.db2.gz KIFOHOHAGDCSLQ-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cc1 ZINC000012418586 568719077 /nfs/dbraw/zinc/71/90/77/568719077.db2.gz DCDZSNOJXBZBQI-IZZDOVSWSA-N 0 0 416.456 4.127 50 30 HIEARN COc1ccc(C(=O)CSc2nc(N)c(C#N)c(C3CCCCC3)c2C#N)cc1 ZINC000012420381 568720436 /nfs/dbraw/zinc/72/04/36/568720436.db2.gz VXUFINXLNCHTNT-UHFFFAOYSA-N 0 0 406.511 4.438 50 30 HIEARN CCCCNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N ZINC000012421310 568721022 /nfs/dbraw/zinc/72/10/22/568721022.db2.gz WQXYIQMJGSAGGV-UHFFFAOYSA-N 0 0 424.526 4.246 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 ZINC000000868583 568725119 /nfs/dbraw/zinc/72/51/19/568725119.db2.gz XIHAGJNKSLTELD-LTUQMTLXSA-N 0 0 405.882 4.459 50 30 HIEARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C[C@@H]1CCCO1 ZINC000000887440 568739623 /nfs/dbraw/zinc/73/96/23/568739623.db2.gz NANDUHLNTPDWFG-LBPRGKRZSA-N 0 0 401.319 4.453 50 30 HIEARN Cc1ccc(N=C([C@@H](c2ccccc2)N2CCOCC2)n2nnc3ccccc32)cc1 ZINC000252586196 568752218 /nfs/dbraw/zinc/75/22/18/568752218.db2.gz OBUUYWWUWWEPIX-XMMPIXPASA-N 0 0 411.509 4.392 50 30 HIEARN CCC1=C[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1 ZINC000096594022 568763507 /nfs/dbraw/zinc/76/35/07/568763507.db2.gz MAHCXRPULMTXCV-GFCCVEGCSA-N 0 0 420.712 4.473 50 30 HIEARN COc1ccc(NC(=O)c2ccc(CON=Cc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000254559085 568764103 /nfs/dbraw/zinc/76/41/03/568764103.db2.gz WLVGADFJXYFKOU-UHFFFAOYSA-N 0 0 405.410 4.406 50 30 HIEARN O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000001060106 568766249 /nfs/dbraw/zinc/76/62/49/568766249.db2.gz SVIRSPJEQHMQSZ-ZKKFKWFVSA-N 0 0 413.860 4.090 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1c1cccc(OC)c1 ZINC000001079970 568767494 /nfs/dbraw/zinc/76/74/94/568767494.db2.gz DTIYAOZTKPREMZ-SIKLNZKXSA-N 0 0 424.453 4.144 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccccc1F ZINC000002623876 568788600 /nfs/dbraw/zinc/78/86/00/568788600.db2.gz ZHPVYCUKAZEKQD-UHFFFAOYSA-N 0 0 422.407 4.418 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Br)cc2)c(C#N)c1C ZINC000002740388 568805822 /nfs/dbraw/zinc/80/58/22/568805822.db2.gz VJZSZODHZQGWGF-UHFFFAOYSA-N 0 0 420.332 4.425 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccn(COc4ccccc4F)n3)sc2C1 ZINC000002797726 568809714 /nfs/dbraw/zinc/80/97/14/568809714.db2.gz KLRNUHNBQTXOKB-CYBMUJFWSA-N 0 0 410.474 4.369 50 30 HIEARN Cc1nn(C[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1Br ZINC000002791693 568810090 /nfs/dbraw/zinc/81/00/90/568810090.db2.gz KSNMVWMMIOULDL-SNVBAGLBSA-N 0 0 421.364 4.349 50 30 HIEARN Cc1nn(C[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1Br ZINC000002791694 568810129 /nfs/dbraw/zinc/81/01/29/568810129.db2.gz KSNMVWMMIOULDL-JTQLQIEISA-N 0 0 421.364 4.349 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)c1 ZINC000005884152 568828142 /nfs/dbraw/zinc/82/81/42/568828142.db2.gz MAAGFYBKIVHAHJ-FQEVSTJZSA-N 0 0 404.422 4.083 50 30 HIEARN CCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000003020827 568840231 /nfs/dbraw/zinc/84/02/31/568840231.db2.gz VGZAWRLGZPXNMM-IRXDYDNUSA-N 0 0 412.571 4.193 50 30 HIEARN CC(=O)Nc1cccc(Nc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)s2)c1 ZINC000012537907 568846376 /nfs/dbraw/zinc/84/63/76/568846376.db2.gz VZSAMHZZCPPEIZ-UHFFFAOYSA-N 0 0 412.456 4.171 50 30 HIEARN O=c1c(C=[NH+]Cc2ccccc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000230196951 568854533 /nfs/dbraw/zinc/85/45/33/568854533.db2.gz KJYUSZSMOHAISM-KSEXSDGBSA-N 0 0 402.401 4.413 50 30 HIEARN Cc1sc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)c(C#N)c1C ZINC000003266087 568869012 /nfs/dbraw/zinc/86/90/12/568869012.db2.gz DTLXOCMLYTUBJD-UHFFFAOYSA-N 0 0 400.554 4.461 50 30 HIEARN CC(C)(C)c1ccc(S(=O)(=O)ON2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000003292400 568873958 /nfs/dbraw/zinc/87/39/58/568873958.db2.gz ANQCAOYIFDREEG-UHFFFAOYSA-N 0 0 409.463 4.054 50 30 HIEARN C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccc1OC ZINC000003303485 568877112 /nfs/dbraw/zinc/87/71/12/568877112.db2.gz BFQGOIRHKNPLIQ-UHFFFAOYSA-N 0 0 420.538 4.211 50 30 HIEARN Cc1ccc(S(=O)(=O)ON=[S@@](=O)(Nc2ccccc2)c2ccc(C)cc2)cc1 ZINC000004533219 568908238 /nfs/dbraw/zinc/90/82/38/568908238.db2.gz YVSUATADVZHKAV-MHZLTWQESA-N 0 0 416.524 4.478 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccccc1 ZINC000003485201 568908845 /nfs/dbraw/zinc/90/88/45/568908845.db2.gz JCEIJEDAVDXOQP-HXUWFJFHSA-N 0 0 404.539 4.417 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1 ZINC000217735152 568908889 /nfs/dbraw/zinc/90/88/89/568908889.db2.gz VHVTXPJPVIOESW-WVGJEZMVSA-N 0 0 414.413 4.458 50 30 HIEARN COc1cc(OC)c([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OC ZINC000217755099 568910374 /nfs/dbraw/zinc/91/03/74/568910374.db2.gz KDMIUDAFVXHZSX-CQSZACIVSA-N 0 0 410.422 4.022 50 30 HIEARN COc1ccc(C(=O)O/N=C2\CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004085555 568940290 /nfs/dbraw/zinc/94/02/90/568940290.db2.gz CMBGPKUWBUDMMJ-QMWCZEAPSA-N 0 0 413.386 4.382 50 30 HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 ZINC000004182732 568949307 /nfs/dbraw/zinc/94/93/07/568949307.db2.gz MSTZTORQVACHGQ-CCDWMCETSA-N 0 0 423.509 4.103 50 30 HIEARN Cc1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c(C#N)c1C ZINC000004270376 568956580 /nfs/dbraw/zinc/95/65/80/568956580.db2.gz CTBWSFHXCTVDFH-UHFFFAOYSA-N 0 0 411.508 4.290 50 30 HIEARN C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000004820649 568964359 /nfs/dbraw/zinc/96/43/59/568964359.db2.gz IBLXKRDYAKKYFR-OAQYLSRUSA-N 0 0 421.497 4.136 50 30 HIEARN C=C(C)Cn1c(SCC(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000005017242 568964780 /nfs/dbraw/zinc/96/47/80/568964780.db2.gz PYIMIPVHDZNFRZ-UHFFFAOYSA-N 0 0 417.600 4.064 50 30 HIEARN C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000006856056 568968827 /nfs/dbraw/zinc/96/88/27/568968827.db2.gz LNJWKMDYRDLWBU-UHFFFAOYSA-N 0 0 400.478 4.476 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000005903623 568979649 /nfs/dbraw/zinc/97/96/49/568979649.db2.gz ZHDIHUHJGZHJQE-PKNBQFBNSA-N 0 0 421.453 4.474 50 30 HIEARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cccc(C#N)c3)c2)c1 ZINC000008185192 568980320 /nfs/dbraw/zinc/98/03/20/568980320.db2.gz NOMZGQCLYUFTGG-UHFFFAOYSA-N 0 0 405.479 4.228 50 30 HIEARN C=C(C)CN(CC)C(=O)CSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 ZINC000008188019 568980699 /nfs/dbraw/zinc/98/06/99/568980699.db2.gz MYEHRKDMTXQUTG-UHFFFAOYSA-N 0 0 422.554 4.460 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000009569622 568986899 /nfs/dbraw/zinc/98/68/99/568986899.db2.gz TYKPQBTZOBAFOS-KRWDZBQOSA-N 0 0 411.527 4.141 50 30 HIEARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)c(C)c1 ZINC000012578482 568995337 /nfs/dbraw/zinc/99/53/37/568995337.db2.gz PJXREWXCYDUMNQ-OAQYLSRUSA-N 0 0 404.510 4.013 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(C)cc1 ZINC000014082402 569001759 /nfs/dbraw/zinc/00/17/59/569001759.db2.gz XCYYEOQEXLXJSP-UHFFFAOYSA-N 0 0 406.511 4.373 50 30 HIEARN C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000014201067 569001973 /nfs/dbraw/zinc/00/19/73/569001973.db2.gz LDMXBXLPZCMUFU-GOSISDBHSA-N 0 0 413.930 4.158 50 30 HIEARN C=CCCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@@H]1CCCO1 ZINC000014976186 569004229 /nfs/dbraw/zinc/00/42/29/569004229.db2.gz LQGCEJFKVCOMGO-QFIPXVFZSA-N 0 0 423.557 4.317 50 30 HIEARN COc1cc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc(OC)c1OC ZINC000008469924 569004278 /nfs/dbraw/zinc/00/42/78/569004278.db2.gz ZLVWRWUOGDJADG-CMDGGOBGSA-N 0 0 417.465 4.305 50 30 HIEARN C=CCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O ZINC000016735195 569005441 /nfs/dbraw/zinc/00/54/41/569005441.db2.gz CYSDCMUJFQAPQU-FRWQMALMSA-N 0 0 421.909 4.087 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CCC2 ZINC000018045026 569006227 /nfs/dbraw/zinc/00/62/27/569006227.db2.gz HUAMJDVIJCKOHL-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN C=CCc1cccc2cc(C(=O)N3CCN(c4c(C)cccc4C)CC3)c(=O)oc21 ZINC000001063914 569006270 /nfs/dbraw/zinc/00/62/70/569006270.db2.gz XXADYSWQCJQRIQ-UHFFFAOYSA-N 0 0 402.494 4.101 50 30 HIEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCC3 ZINC000001218874 569006450 /nfs/dbraw/zinc/00/64/50/569006450.db2.gz SZYMQLIJVMZZDY-UHFFFAOYSA-N 0 0 408.552 4.311 50 30 HIEARN C=CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)CCCC3 ZINC000002183409 569006968 /nfs/dbraw/zinc/00/69/68/569006968.db2.gz YHNBTYJSBUSPSV-UHFFFAOYSA-N 0 0 424.551 4.260 50 30 HIEARN C=CCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002279459 569007088 /nfs/dbraw/zinc/00/70/88/569007088.db2.gz HWSPNPNBEMURKP-ZHACJKMWSA-N 0 0 424.420 4.202 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(F)cc1 ZINC000002365085 569007161 /nfs/dbraw/zinc/00/71/61/569007161.db2.gz VDQIVHMSZSUGRB-UHFFFAOYSA-N 0 0 404.417 4.279 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000002442295 569007392 /nfs/dbraw/zinc/00/73/92/569007392.db2.gz XQIYAZPWLPPZEW-UHFFFAOYSA-N 0 0 408.527 4.336 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000015834460 569012907 /nfs/dbraw/zinc/01/29/07/569012907.db2.gz CFDCAUNJISSYFE-UHFFFAOYSA-N 0 0 402.317 4.325 50 30 HIEARN CN(C)c1ccc(/C=N\N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000006142418 569014371 /nfs/dbraw/zinc/01/43/71/569014371.db2.gz VZXDTSOMVXRVOU-FIJRTHIRSA-N 0 0 421.353 4.224 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC ZINC000006294205 569038102 /nfs/dbraw/zinc/03/81/02/569038102.db2.gz GTOJCMDAZRWGNV-OAQYLSRUSA-N 0 0 409.482 4.391 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000006294818 569038227 /nfs/dbraw/zinc/03/82/27/569038227.db2.gz DFRPEMVSVMQLLM-OAQYLSRUSA-N 0 0 419.433 4.075 50 30 HIEARN Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000006408967 569047103 /nfs/dbraw/zinc/04/71/03/569047103.db2.gz JUYPLBQVHYBQOB-UHFFFAOYSA-N 0 0 413.477 4.010 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1cccc(OC(F)F)c1 ZINC000103112984 569050372 /nfs/dbraw/zinc/05/03/72/569050372.db2.gz UVLJFGXVCRVZDO-XDHOZWIPSA-N 0 0 401.409 4.325 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)c(OC)c1 ZINC000524729310 569051578 /nfs/dbraw/zinc/05/15/78/569051578.db2.gz NOUXRSGXVDVKBF-HSGPEQJXSA-N 0 0 418.401 4.354 50 30 HIEARN CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000001889267 569057013 /nfs/dbraw/zinc/05/70/13/569057013.db2.gz PAURNJUVSNJZFX-HNENSFHCSA-N 0 0 424.884 4.172 50 30 HIEARN O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccc2c(c1)OCCO2 ZINC000001957453 569060029 /nfs/dbraw/zinc/06/00/29/569060029.db2.gz IXIPGBMILAIYQH-YSURURNPSA-N 0 0 423.881 4.432 50 30 HIEARN COC(=O)c1ccc(COc2ccccc2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000004231417 569071139 /nfs/dbraw/zinc/07/11/39/569071139.db2.gz VXZHEJOHXUMFLP-BUVRLJJBSA-N 0 0 419.506 4.373 50 30 HIEARN Cc1nn(CCC#N)c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000006606216 569071270 /nfs/dbraw/zinc/07/12/70/569071270.db2.gz SDRYKGDZLBCAPO-FQEVSTJZSA-N 0 0 404.470 4.035 50 30 HIEARN C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1c(F)cccc1F)CC2 ZINC000064754519 569089659 /nfs/dbraw/zinc/08/96/59/569089659.db2.gz PRBNMGJUPNMSMF-UHFFFAOYSA-N 0 0 422.431 4.363 50 30 HIEARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1cccc(C#N)c1 ZINC000036167234 569103032 /nfs/dbraw/zinc/10/30/32/569103032.db2.gz BTGYNZOQRZNAJN-DEOSSOPVSA-N 0 0 419.550 4.188 50 30 HIEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCCCCC4)CC3)c2c1 ZINC000065034394 569158172 /nfs/dbraw/zinc/15/81/72/569158172.db2.gz USUQHDLIJMGSOT-UHFFFAOYSA-N 0 0 406.530 4.124 50 30 HIEARN CC1=CC(=O)C=C(C)C1=N/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006982284 569195726 /nfs/dbraw/zinc/19/57/26/569195726.db2.gz ZYGQMMOVCBUSJM-DARPEHSRSA-N 0 0 412.898 4.392 50 30 HIEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C)nc4ncnn43)sc2C1 ZINC000036619131 569210490 /nfs/dbraw/zinc/21/04/90/569210490.db2.gz LRMMYUWTTFMMCS-ZDUSSCGKSA-N 0 0 408.531 4.159 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000007129875 569224615 /nfs/dbraw/zinc/22/46/15/569224615.db2.gz OAXWGDNYDNGVFC-BLVKFPJESA-N 0 0 404.561 4.069 50 30 HIEARN C=C(C)COc1cccc(NC(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000089914059 569268444 /nfs/dbraw/zinc/26/84/44/569268444.db2.gz DFTMZXPDFNNJGN-HXUWFJFHSA-N 0 0 415.559 4.240 50 30 HIEARN C=CCOc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OCC=C ZINC000002081050 569278430 /nfs/dbraw/zinc/27/84/30/569278430.db2.gz LSSBWYRWOYYVNH-QGOAFFKASA-N 0 0 406.394 4.069 50 30 HIEARN COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000002103509 569281593 /nfs/dbraw/zinc/28/15/93/569281593.db2.gz VZVMSKSPEHMDHJ-NDENLUEZSA-N 0 0 406.390 4.441 50 30 biogenic HIEARN O=S(=O)(c1ccc(N=Cc2cc(Br)ccc2O)cc1)N1CCCCC1 ZINC000252463201 569287014 /nfs/dbraw/zinc/28/70/14/569287014.db2.gz ZOQWQEXFRVBSMB-UHFFFAOYSA-N 0 0 423.332 4.080 50 30 HIEARN COc1cc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc(OC)c1OC ZINC000002152891 569290157 /nfs/dbraw/zinc/29/01/57/569290157.db2.gz ZQNBKVQLPBLRBV-NVMNQCDNSA-N 0 0 422.389 4.141 50 30 biogenic HIEARN N#C[C@H]1N(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CCC[C@@]12CCCCO2 ZINC000252550140 569294160 /nfs/dbraw/zinc/29/41/60/569294160.db2.gz SALCTFOVNQOFPB-APWZRJJASA-N 0 0 406.408 4.183 50 30 HIEARN Cc1ccc(S(=O)(=O)Oc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000252590131 569295002 /nfs/dbraw/zinc/29/50/02/569295002.db2.gz APHPCTWDHFCCGF-UHFFFAOYSA-N 0 0 411.439 4.117 50 30 HIEARN COc1ccc(CN2C(=O)CSC2=NN=C(C)c2ccc(OC(C)C)cc2)cc1 ZINC000252590145 569295051 /nfs/dbraw/zinc/29/50/51/569295051.db2.gz APNCGXUGASGTDJ-UHFFFAOYSA-N 0 0 411.527 4.338 50 30 HIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1 ZINC000007616926 569296032 /nfs/dbraw/zinc/29/60/32/569296032.db2.gz GNOGXLQRJZWMEB-UHFFFAOYSA-N 0 0 418.526 4.022 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2OC)SC1=Nc1ccccc1 ZINC000252602424 569297103 /nfs/dbraw/zinc/29/71/03/569297103.db2.gz FHTZAWCQVARTFJ-IBGZPJMESA-N 0 0 409.511 4.150 50 30 HIEARN COc1ccc2c(c1)c(CC(=O)O[C@@H](C)C#N)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000007655034 569299265 /nfs/dbraw/zinc/29/92/65/569299265.db2.gz LXYOIJMCCOEKMP-ZDUSSCGKSA-N 0 0 410.857 4.298 50 30 HIEARN C[C@@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC000007781210 569309963 /nfs/dbraw/zinc/30/99/63/569309963.db2.gz QVDHSUKWCDLPLZ-MRXNPFEDSA-N 0 0 416.506 4.175 50 30 HIEARN Cc1nn(-c2ccccc2)c(Cl)c1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000252629351 569311457 /nfs/dbraw/zinc/31/14/57/569311457.db2.gz UEFUBRXXQCFROU-UHFFFAOYSA-N 0 0 405.889 4.383 50 30 HIEARN CC(C)CNC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002253168 569324782 /nfs/dbraw/zinc/32/47/82/569324782.db2.gz MQSLCNLUSYIDJI-RPPGKUMJSA-N 0 0 420.904 4.088 50 30 HIEARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)ccc1O ZINC000253411877 569366530 /nfs/dbraw/zinc/36/65/30/569366530.db2.gz PFOFATJJBICMPP-HNIBHBHRSA-N 0 0 404.374 4.051 50 30 HIEARN Cc1ccc(/C=N/n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 ZINC000002351957 569381327 /nfs/dbraw/zinc/38/13/27/569381327.db2.gz CSLYERYRFFAHPJ-VULFUBBASA-N 0 0 412.497 4.030 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2sc(C)c(C)c2c1=O ZINC000002375204 569389359 /nfs/dbraw/zinc/38/93/59/569389359.db2.gz VEIUHBKHBHZNFT-UHFFFAOYSA-N 0 0 421.494 4.270 50 30 HIEARN CN1CCN(c2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)CC1 ZINC000002399983 569393552 /nfs/dbraw/zinc/39/35/52/569393552.db2.gz GYWVFFTXXQJIJZ-UHFFFAOYSA-N 0 0 408.889 4.197 50 30 HIEARN O=C1C[C@@H]2c3ccccc3CCN2C(=O)[C@@H]1/C=N/OCc1ccc(Cl)cc1Cl ZINC000012961079 569405541 /nfs/dbraw/zinc/40/55/41/569405541.db2.gz MOVLVBZQGVQSQG-QGGMBGSLSA-N 0 0 417.292 4.211 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000013003212 569406551 /nfs/dbraw/zinc/40/65/51/569406551.db2.gz CBADIEQQFKWNJK-OAQYLSRUSA-N 0 0 418.449 4.473 50 30 HIEARN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-n3cccn3)c(F)c2)C(C)(C)C1 ZINC000328589533 569414734 /nfs/dbraw/zinc/41/47/34/569414734.db2.gz HHDUHFGNXRCXCM-SFHVURJKSA-N 0 0 416.497 4.352 50 30 HIEARN Cc1cnc(-c2cnn(C)c2NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)o1 ZINC000328589865 569414832 /nfs/dbraw/zinc/41/48/32/569414832.db2.gz HYJQLVJKIOPLME-UHFFFAOYSA-N 0 0 421.457 4.398 50 30 HIEARN N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000328596152 569415979 /nfs/dbraw/zinc/41/59/79/569415979.db2.gz VEFNCZOZIYIJTF-SFHVURJKSA-N 0 0 423.494 4.119 50 30 HIEARN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000328596694 569416173 /nfs/dbraw/zinc/41/61/73/569416173.db2.gz QIVAVXBYPDPGSX-SWLSCSKDSA-N 0 0 414.259 4.050 50 30 HIEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000038654305 571052819 /nfs/dbraw/zinc/05/28/19/571052819.db2.gz BGYPDFXAZQQTGF-UHFFFAOYSA-N 0 0 404.901 4.293 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H](C)CCC(C)C)nnc1-c1ccc(OC)cc1 ZINC000008505206 571062877 /nfs/dbraw/zinc/06/28/77/571062877.db2.gz UOUHQXKMVMGVOD-MRXNPFEDSA-N 0 0 402.564 4.173 50 30 HIEARN COc1ccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000008687861 571101966 /nfs/dbraw/zinc/10/19/66/571101966.db2.gz GXXHYOHYGSDGIM-UHFFFAOYSA-N 0 0 419.572 4.208 50 30 HIEARN COc1cccc(-n2ccnc2SCC(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000008710122 571104711 /nfs/dbraw/zinc/10/47/11/571104711.db2.gz BLEZYEQWTJWSOD-UHFFFAOYSA-N 0 0 406.511 4.228 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)c1 ZINC000008740649 571110169 /nfs/dbraw/zinc/11/01/69/571110169.db2.gz UIGLMZGRBMUYBF-FQEVSTJZSA-N 0 0 404.397 4.012 50 30 HIEARN COC(=O)C(=NOC(=O)Nc1ccccc1F)c1ncc(C(F)(F)F)cc1Cl ZINC000008782070 571119234 /nfs/dbraw/zinc/11/92/34/571119234.db2.gz LFALKYLYPDZMFU-CFRMEGHHSA-N 0 0 419.718 4.019 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 ZINC000008845235 571125477 /nfs/dbraw/zinc/12/54/77/571125477.db2.gz OTGQWGNUVQDSLN-LHSJRXKWSA-N 0 0 419.433 4.283 50 30 HIEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)N(C)C)c3C)C1=O)cn2C ZINC000008993147 571207687 /nfs/dbraw/zinc/20/76/87/571207687.db2.gz JHKCMPIEAZZECI-KEBDBYFISA-N 0 0 406.438 4.172 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3)ccc2O1 ZINC000009243341 571240979 /nfs/dbraw/zinc/24/09/79/571240979.db2.gz XSFLCXHKGRARPM-ORAYPTAESA-N 0 0 418.474 4.249 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009272099 571244526 /nfs/dbraw/zinc/24/45/26/571244526.db2.gz MIHOZRQIFJGDMO-HXUWFJFHSA-N 0 0 418.405 4.275 50 30 HIEARN C=CCn1c(SCc2nc3ccccc3o2)nnc1[C@@H]1COc2ccccc2O1 ZINC000009336986 571249284 /nfs/dbraw/zinc/24/92/84/571249284.db2.gz PSZCMUUCHASPIH-SFHVURJKSA-N 0 0 406.467 4.410 50 30 HIEARN COc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccccc3)ccc2C1=O ZINC000009420402 571256793 /nfs/dbraw/zinc/25/67/93/571256793.db2.gz VVARJZSBNYRYLM-BKUYFWCQSA-N 0 0 408.431 4.079 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000009435216 571258757 /nfs/dbraw/zinc/25/87/57/571258757.db2.gz AEYGVHLAXGJCJP-LJQANCHMSA-N 0 0 422.368 4.105 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)cc1OC ZINC000009486440 571262363 /nfs/dbraw/zinc/26/23/63/571262363.db2.gz YVHWQOFQLALBJU-JJFYIABZSA-N 0 0 419.433 4.265 50 30 HIEARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3ccccc3OC(F)F)C12 ZINC000009487554 571262530 /nfs/dbraw/zinc/26/25/30/571262530.db2.gz BRAIBTVNYINTEW-MPBGBICISA-N 0 0 424.407 4.001 50 30 HIEARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3ccccc3OC(F)F)C12 ZINC000009487556 571262551 /nfs/dbraw/zinc/26/25/51/571262551.db2.gz BRAIBTVNYINTEW-FKIZINRSSA-N 0 0 424.407 4.001 50 30 HIEARN N#Cc1cccc(NCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 ZINC000009604369 571273177 /nfs/dbraw/zinc/27/31/77/571273177.db2.gz HQNAHIPQQGXWIL-UHFFFAOYSA-N 0 0 405.479 4.036 50 30 HIEARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(C#N)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685523 571279853 /nfs/dbraw/zinc/27/98/53/571279853.db2.gz JEINVURESYQHMD-UHFFFAOYSA-N 0 0 407.495 4.304 50 30 HIEARN N#Cc1cccnc1N1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000070929366 571282086 /nfs/dbraw/zinc/28/20/86/571282086.db2.gz ZTLKECYRKNSMRO-UHFFFAOYSA-N 0 0 422.960 4.451 50 30 HIEARN N#Cc1cccnc1N1CCC(CNC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000070929370 571282099 /nfs/dbraw/zinc/28/20/99/571282099.db2.gz HXOBGNYLNNQJEY-UHFFFAOYSA-N 0 0 424.504 4.224 50 30 HIEARN CCOc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2ccccc2OC)cc1 ZINC000009911534 571290001 /nfs/dbraw/zinc/29/00/01/571290001.db2.gz KDVBNQDXNFGZPX-UHFFFAOYSA-N 0 0 422.506 4.361 50 30 HIEARN COC(=O)Nc1sc(N=NCc2cccc([N+](=O)[O-])c2)nc1-c1cccs1 ZINC000031829204 571306796 /nfs/dbraw/zinc/30/67/96/571306796.db2.gz DUOZRJPROSTKTO-MFOYZWKCSA-N 0 0 403.445 4.404 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccccc2)cc1 ZINC000078549945 571313652 /nfs/dbraw/zinc/31/36/52/571313652.db2.gz ITWKNVAPHNIHTJ-JOCHJYFZSA-N 0 0 423.509 4.479 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000001125081 845001929 /nfs/dbraw/zinc/00/19/29/845001929.db2.gz OBTNTHRXPITLHO-WZONZLPQSA-N 0 0 418.493 4.015 50 30 HIEARN CS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N ZINC000001145611 845002891 /nfs/dbraw/zinc/00/28/91/845002891.db2.gz QXUGQXHZIXSGKU-UHFFFAOYSA-N 0 0 413.296 4.453 50 30 aggregator HIEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000003316337 845013008 /nfs/dbraw/zinc/01/30/08/845013008.db2.gz OQYZJTYTHQYJHB-FPYGCLRLSA-N 0 0 406.772 4.008 50 30 HIEARN CCOc1cc(/C=C2\CCc3c(C)cc(C)cc3C2=O)ccc1OCC(=O)N(C)C ZINC000003401350 845017588 /nfs/dbraw/zinc/01/75/88/845017588.db2.gz PPJRWSNYIRFXSI-CPNJWEJPSA-N 0 0 407.510 4.382 50 30 HIEARN COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005561254 845124766 /nfs/dbraw/zinc/12/47/66/845124766.db2.gz LOIFDSPLQVMMMU-KDDHIZETSA-N 0 0 405.454 4.420 50 30 HIEARN C=CCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccccc3)n2)SC1=S ZINC000007156129 845266471 /nfs/dbraw/zinc/26/64/71/845266471.db2.gz IKSWZLXVDFNTEV-GDNBJRDFSA-N 0 0 401.538 4.215 50 30 HIEARN C#CCN(C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1)C1CCCCC1 ZINC000011840780 845838290 /nfs/dbraw/zinc/83/82/90/845838290.db2.gz KIMOMZFKEDAJRN-XMMPIXPASA-N 0 0 412.599 4.175 50 30 HIEARN C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000012905759 845897260 /nfs/dbraw/zinc/89/72/60/845897260.db2.gz SVFAFJZPAXUNKG-PLWJUESGSA-N 0 0 405.841 4.343 50 30 HIEARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)ONC2=NCCCCC2)cc1 ZINC000014074970 845922833 /nfs/dbraw/zinc/92/28/33/845922833.db2.gz ZTXSWAFBRAJQSL-UHFFFAOYSA-N 0 0 404.470 4.182 50 30 HIEARN C=CCOc1ccccc1CN1CCOc2ccc([C@H](O)c3cccnc3)cc2C1 ZINC000014998523 845997942 /nfs/dbraw/zinc/99/79/42/845997942.db2.gz DDUHJMLKYFCTFS-VWLOTQADSA-N 0 0 402.494 4.123 50 30 HIEARN C=C(OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)NCc1ccccc1 ZINC000059383623 851003145 /nfs/dbraw/zinc/00/31/45/851003145.db2.gz HBJIFPPYVCEQLF-HSZRJFAPSA-N 0 0 401.462 4.373 50 30 HIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1cc(OC)c2c(c1)OCCO2 ZINC000096860900 852555999 /nfs/dbraw/zinc/55/59/99/852555999.db2.gz ZLVSGTWLOOGQKR-DAXSKMNVSA-N 0 0 405.903 4.409 50 30 HIEARN COC(=O)c1sc2ncc(C(=O)/C=C\c3cc(OC)c(O)c(OC)c3)cc2c1C ZINC000097046466 852578614 /nfs/dbraw/zinc/57/86/14/852578614.db2.gz JVSLDIMWIUJKDH-WAYWQWQTSA-N 0 0 413.451 4.010 50 30 HIEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-n2nncc2C(C)(C)C)cc1 ZINC000254379081 854210631 /nfs/dbraw/zinc/21/06/31/854210631.db2.gz QIRQRJHDLZZAPU-UHFFFAOYSA-N 0 0 423.433 4.217 50 30 aggregator HIEARN CC(=NNC(=S)Nc1ccccc1C(F)(F)F)[C@H]1Cc2ccccc2C(=O)O1 ZINC000254519877 854211841 /nfs/dbraw/zinc/21/18/41/854211841.db2.gz QBRFVYDTBNHONH-MRXNPFEDSA-N 0 0 407.417 4.149 50 30 HIEARN Oc1ccc(Br)cc1C=Nn1cnn(Cc2ccccc2Cl)c1=S ZINC000254517657 854211869 /nfs/dbraw/zinc/21/18/69/854211869.db2.gz MDXLRIGGHDYBTD-UHFFFAOYSA-N 0 0 423.723 4.466 50 30 HIEARN COCCN=c1scc(-c2ccccc2Br)n1N=Cc1ccsc1 ZINC000254520033 854211912 /nfs/dbraw/zinc/21/19/12/854211912.db2.gz RFPVPUXDVABZNR-UHFFFAOYSA-N 0 0 422.373 4.470 50 30 HIEARN Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCn1c(=O)oc2ccccc21 ZINC000254566614 854212440 /nfs/dbraw/zinc/21/24/40/854212440.db2.gz HASOCPBKJYORDS-UHFFFAOYSA-N 0 0 415.902 4.210 50 30 HIEARN Cc1ccc(S(=O)(=O)N(C)C)cc1N=C/C(Br)=C/c1ccccc1 ZINC000254568842 854212580 /nfs/dbraw/zinc/21/25/80/854212580.db2.gz LEKRKUVULUBDCH-NDSJGCQISA-N 0 0 407.333 4.384 50 30 HIEARN CCOc1ccc(-n2c(C)cc(C=NN3C(=O)NC4(CCCCC4)C3=O)c2C)cc1 ZINC000254764901 854214051 /nfs/dbraw/zinc/21/40/51/854214051.db2.gz ZBUGTAFZQAZAHK-UHFFFAOYSA-N 0 0 408.502 4.081 50 30 HIEARN COc1cc(C=NNC(=S)NC2CCCCC2)ccc1OC(=O)c1cccs1 ZINC000254763904 854214303 /nfs/dbraw/zinc/21/43/03/854214303.db2.gz MEOOFFCBIQSGLA-UHFFFAOYSA-N 0 0 417.556 4.107 50 30 HIEARN CN=c1scc(-c2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(O)c(O)c1O ZINC000254860450 854216156 /nfs/dbraw/zinc/21/61/56/854216156.db2.gz NVKHTNCCOWHZRE-UHFFFAOYSA-N 0 0 410.282 4.053 50 30 HIEARN CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000008161168 132328058 /nfs/dbraw/zinc/32/80/58/132328058.db2.gz MAHMWZPVESJPLB-UHFFFAOYSA-N 0 0 408.571 4.169 50 30 HIEARN C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000024635146 132484312 /nfs/dbraw/zinc/48/43/12/132484312.db2.gz WVORYDIJSJUXSF-AWEZNQCLSA-N 0 0 402.420 4.066 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021177657 518328698 /nfs/dbraw/zinc/32/86/98/518328698.db2.gz YBJQDONDQRPWFD-KRWDZBQOSA-N 0 0 414.490 4.277 50 30 HIEARN C=C(C)CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020737867 518606570 /nfs/dbraw/zinc/60/65/70/518606570.db2.gz QSHLEVDBZLCPOY-DEOSSOPVSA-N 0 0 419.525 4.066 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000015940608 518818795 /nfs/dbraw/zinc/81/87/95/518818795.db2.gz AXIMWYFDEMIPHO-RTBURBONSA-N 0 0 412.555 4.186 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccccc2OC(=O)c2ccc(OC)cc2)SC1=S ZINC000015277442 518828149 /nfs/dbraw/zinc/82/81/49/518828149.db2.gz IQULBNIUHAMDOT-AQTBWJFISA-N 0 0 411.504 4.302 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 ZINC000011859788 518828250 /nfs/dbraw/zinc/82/82/50/518828250.db2.gz JZNQPJNDVZGYCF-MIZVFFBBSA-N 0 0 418.927 4.187 50 30 HIEARN C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4cccs4)sc3C)cc21 ZINC000019820249 518835290 /nfs/dbraw/zinc/83/52/90/518835290.db2.gz QDRAOKHMDKESKN-UHFFFAOYSA-N 0 0 411.508 4.344 50 30 HIEARN C=CCN1c2ccc(C)cc2[C@@]2(CC(=O)Nc3c2cnn3-c2cccc(F)c2)C1=O ZINC000032106621 518876027 /nfs/dbraw/zinc/87/60/27/518876027.db2.gz XOWXSPNCPMECQE-HSZRJFAPSA-N 0 0 402.429 4.130 50 30 HIEARN C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(OC)c1 ZINC000037543654 518934206 /nfs/dbraw/zinc/93/42/06/518934206.db2.gz PJORMMLKPPORLE-UHFFFAOYSA-N 0 0 405.317 4.438 50 30 HIEARN C=CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccc(Cl)cc3)nn2c1=O ZINC000033168251 519065363 /nfs/dbraw/zinc/06/53/63/519065363.db2.gz CYSDCMUJFQAPQU-GKZQGBICSA-N 0 0 421.909 4.087 50 30 HIEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085741 519150276 /nfs/dbraw/zinc/15/02/76/519150276.db2.gz UXKMZXBKYDAJQZ-UHFFFAOYSA-N 0 0 420.494 4.326 50 30 HIEARN C=CCn1c(=S)n(CN(C2CC2)C2CCCC2)nc1[C@H]1COc2ccccc2O1 ZINC000032923193 519165890 /nfs/dbraw/zinc/16/58/90/519165890.db2.gz UUFQCDSVFTVNTQ-HXUWFJFHSA-N 0 0 412.559 4.477 50 30 HIEARN C=CCn1c(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C1CC1 ZINC000028220787 519233991 /nfs/dbraw/zinc/23/39/91/519233991.db2.gz ZGSNZPKMVOPBPL-UHFFFAOYSA-N 0 0 413.572 4.274 50 30 HIEARN C=CCn1c(SCCOc2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000008401946 519235393 /nfs/dbraw/zinc/23/53/93/519235393.db2.gz SGTZCFGHXUGEJY-LJQANCHMSA-N 0 0 413.474 4.287 50 30 HIEARN C=CCn1c(SCc2cnn(-c3ccccc3)n2)nnc1-c1ccc(OC)cc1 ZINC000040127450 519245631 /nfs/dbraw/zinc/24/56/31/519245631.db2.gz CJWPKLOVTLRYOO-UHFFFAOYSA-N 0 0 404.499 4.013 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(C3CC3)c2c1=O ZINC000021682809 519250498 /nfs/dbraw/zinc/25/04/98/519250498.db2.gz HCTWJYGGZWOILI-ZDUSSCGKSA-N 0 0 417.600 4.451 50 30 HIEARN C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000048324433 519253122 /nfs/dbraw/zinc/25/31/22/519253122.db2.gz BFIPSTUPERMRDL-AWEZNQCLSA-N 0 0 424.555 4.090 50 30 HIEARN CC(=O)N(c1ccc(F)cc1)C1=C(NC2CCCCC2)C(=O)c2ccccc2C1=O ZINC000027548879 519471893 /nfs/dbraw/zinc/47/18/93/519471893.db2.gz FHHSSMBIPXDXTG-UHFFFAOYSA-N 0 0 406.457 4.392 50 30 HIEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101284738 520038675 /nfs/dbraw/zinc/03/86/75/520038675.db2.gz NFRRPFPXYRLTRX-LJQANCHMSA-N 0 0 413.478 4.379 50 30 HIEARN CCN(C(C)=O)c1nc(/C=C2\S/C(=N/c3c(C)cccc3C)NC2=O)cs1 ZINC000053625146 520133137 /nfs/dbraw/zinc/13/31/37/520133137.db2.gz HCZDWOLMJZXFRE-DHDCSXOGSA-N 0 0 400.529 4.024 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(O)c1 ZINC000100560043 520498004 /nfs/dbraw/zinc/49/80/04/520498004.db2.gz BHFJGTSHHZWYLB-WZONZLPQSA-N 0 0 403.478 4.317 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)c(OC)c2)SC(=Cc2ccccc2)C1=O ZINC000036258593 520534232 /nfs/dbraw/zinc/53/42/32/520534232.db2.gz AKXCLUNDKIZORB-LDADJPATSA-N 0 0 411.479 4.247 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cccc(OC)c2O)C1=O ZINC000036258272 520537215 /nfs/dbraw/zinc/53/72/15/520537215.db2.gz YMXXTLQYIUPYDD-SFQUDFHCSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OC)c(OC)c2)C1=O ZINC000027531889 520538467 /nfs/dbraw/zinc/53/84/67/520538467.db2.gz XXIKEJMNZYEHHP-AQTBWJFISA-N 0 0 411.479 4.247 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000036258145 520539015 /nfs/dbraw/zinc/53/90/15/520539015.db2.gz PSFKOHQEOYBCLP-WOJGMQOQSA-N 0 0 409.463 4.267 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2OC)SC(=Cc2ccc(C#N)cc2)C1=O ZINC000036258025 520541165 /nfs/dbraw/zinc/54/11/65/520541165.db2.gz FSYDNDWJWXTLLB-LDADJPATSA-N 0 0 406.463 4.110 50 30 HIEARN CCOc1cc(C#N)cc(Cl)c1OC(=O)C1CCN(C(=O)c2ccsc2)CC1 ZINC000032772379 520650803 /nfs/dbraw/zinc/65/08/03/520650803.db2.gz SMUYEDJCCUYSRM-UHFFFAOYSA-N 0 0 418.902 4.130 50 30 HIEARN CCOC(=O)COc1cc(Br)c(C=NNc2cccc(C)c2)cc1OC ZINC000032465081 520798680 /nfs/dbraw/zinc/79/86/80/520798680.db2.gz SXEZEXZGOVESRR-NHDPSOOVSA-N 0 0 421.291 4.154 50 30 HIEARN CCOC(=O)COc1ccc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)cc1 ZINC000032912822 520800350 /nfs/dbraw/zinc/80/03/50/520800350.db2.gz VCSCECRLLVWQGK-IZZDOVSWSA-N 0 0 421.371 4.025 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000020806826 520802526 /nfs/dbraw/zinc/80/25/26/520802526.db2.gz BPYVASCAHFBEJE-HSZRJFAPSA-N 0 0 419.500 4.498 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000019818130 520825027 /nfs/dbraw/zinc/82/50/27/520825027.db2.gz QOTIIPXSRFIXCT-HSZRJFAPSA-N 0 0 417.461 4.127 50 30 HIEARN CCCN(CC#Cc1ccccc1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1C ZINC000055369491 521523721 /nfs/dbraw/zinc/52/37/21/521523721.db2.gz CZKFOUCSXSTIDY-QHCPKHFHSA-N 0 0 404.510 4.016 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1ccc(C)c(C)c1 ZINC000096737105 521528984 /nfs/dbraw/zinc/52/89/84/521528984.db2.gz KADSRHZVUADRQV-RSTPCFTMSA-N 0 0 411.527 4.292 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(OC)cc2)c(C)n1 ZINC000032972945 521650589 /nfs/dbraw/zinc/65/05/89/521650589.db2.gz UVLKCFJUUZLEFT-UHFFFAOYSA-N 0 0 419.529 4.317 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2cccc(C)c2)c(C)n1 ZINC000032972901 521650964 /nfs/dbraw/zinc/65/09/64/521650964.db2.gz GRBLHMRLGHAPSI-UHFFFAOYSA-N 0 0 407.493 4.447 50 30 HIEARN COc1cc(/C=N/n2cnnc2)cc(Br)c1OCc1ccccc1Cl ZINC000001170755 522004782 /nfs/dbraw/zinc/00/47/82/522004782.db2.gz LGOGOZZAWWOIAR-GZIVZEMBSA-N 0 0 421.682 4.164 50 30 HIEARN COC(=O)c1ccccc1-c1ccc(/C=C\C(=O)c2cccc(N3CCOCC3)c2)o1 ZINC000096837106 522256376 /nfs/dbraw/zinc/25/63/76/522256376.db2.gz GTTVOLDLPOZECU-LUAWRHEFSA-N 0 0 417.461 4.466 50 30 HIEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000017160779 522920215 /nfs/dbraw/zinc/92/02/15/522920215.db2.gz MSTCQTKEHYPMBB-OAQYLSRUSA-N 0 0 419.433 4.081 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)cc1O ZINC000253407901 523423373 /nfs/dbraw/zinc/42/33/73/523423373.db2.gz KHBZOUWYGGAQKS-SAGYFLTASA-N 0 0 404.374 4.051 50 30 HIEARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1cn(CCC#N)c2ccccc12 ZINC000012533291 523518645 /nfs/dbraw/zinc/51/86/45/523518645.db2.gz HYMFIWQJUPUIIP-OUKQBFOZSA-N 0 0 423.520 4.472 50 30 HIEARN COc1ccc(C(=O)C2=CN(c3ccccc3)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000032984364 523572620 /nfs/dbraw/zinc/57/26/20/523572620.db2.gz SLMUKIMAVRVZDT-UHFFFAOYSA-N 0 0 409.438 4.484 50 30 HIEARN COc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984203 523573439 /nfs/dbraw/zinc/57/34/39/523573439.db2.gz BEGKYGYUJSMQJR-UHFFFAOYSA-N 0 0 409.438 4.484 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(C)c2)Nc2ccc(F)cc2)c1C ZINC000032973417 523635179 /nfs/dbraw/zinc/63/51/79/523635179.db2.gz ZGFLYXQYRUKYOJ-UHFFFAOYSA-N 0 0 421.520 4.408 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2cccc(F)c2)c1C ZINC000032971911 523638696 /nfs/dbraw/zinc/63/86/96/523638696.db2.gz VHEMEMBPADGBMP-UHFFFAOYSA-N 0 0 407.493 4.365 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccccc2F)c1C ZINC000032971902 523638708 /nfs/dbraw/zinc/63/87/08/523638708.db2.gz MSWNRKMXCNAWEM-UHFFFAOYSA-N 0 0 407.493 4.365 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(F)c2)Nc2cccc(OC)c2)c1C ZINC000032972084 523638768 /nfs/dbraw/zinc/63/87/68/523638768.db2.gz NOJCGFRYUQHMKS-UHFFFAOYSA-N 0 0 423.492 4.066 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(OC)cc2)c1C ZINC000032971894 523639473 /nfs/dbraw/zinc/63/94/73/523639473.db2.gz CTYJNCWNMKXYFG-UHFFFAOYSA-N 0 0 419.529 4.235 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2C)Nc2cccc(OC)c2)c1C ZINC000032972204 523640318 /nfs/dbraw/zinc/64/03/18/523640318.db2.gz XFJSCLKZQQUIPW-UHFFFAOYSA-N 0 0 419.529 4.235 50 30 HIEARN CCc1cccc(C)c1NC(=O)CON=C(N)c1ccccc1OCc1ccccc1 ZINC000058054324 524063227 /nfs/dbraw/zinc/06/32/27/524063227.db2.gz PQPFDNAZYQNUTR-UHFFFAOYSA-N 0 0 417.509 4.412 50 30 HIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000021721921 524073895 /nfs/dbraw/zinc/07/38/95/524073895.db2.gz KTFZFXYQJPDIHO-QHCPKHFHSA-N 0 0 407.489 4.188 50 30 HIEARN Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)C=Cc3ccco3)c3ccccc32)c1 ZINC000033881884 524101993 /nfs/dbraw/zinc/10/19/93/524101993.db2.gz OZZDUYPYFAEULX-MQCQLYSJSA-N 0 0 401.462 4.303 50 30 HIEARN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000055100112 524302118 /nfs/dbraw/zinc/30/21/18/524302118.db2.gz ZBJVBMWQPLDUEG-MRXNPFEDSA-N 0 0 415.530 4.113 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2ccncc2)C3)C1=O ZINC000054333100 524321530 /nfs/dbraw/zinc/32/15/30/524321530.db2.gz LXTVVDHIPRNZHT-UUYOSTAYSA-N 0 0 414.461 4.367 50 30 HIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000032665053 524406796 /nfs/dbraw/zinc/40/67/96/524406796.db2.gz WFJDFAJFVQRAPT-UHFFFAOYSA-N 0 0 424.976 4.021 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000027532886 525216929 /nfs/dbraw/zinc/21/69/29/525216929.db2.gz RCLICUPFHSYULZ-JOCHJYFZSA-N 0 0 417.509 4.333 50 30 HIEARN C[C@@H]1OP(=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@H]1C ZINC000034878868 525604003 /nfs/dbraw/zinc/60/40/03/525604003.db2.gz NUIIPODSFKKMFW-QXEWZRGKSA-N 0 0 423.638 4.105 50 30 HIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000031967451 525927095 /nfs/dbraw/zinc/92/70/95/525927095.db2.gz DKQSTJRAXGFPSO-ZDUSSCGKSA-N 0 0 400.360 4.169 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2F)cc1F ZINC000016805575 526027824 /nfs/dbraw/zinc/02/78/24/526027824.db2.gz SCLUCAMGUVPXRP-NRFANRHFSA-N 0 0 420.415 4.447 50 30 HIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1cnn(-c2ccc(C)cc2)c1C 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415.449 4.230 50 30 HIEARN Cc1sc(C2=C(N)N(CCC(C)C)CC2=O)nc1-c1ccc(Br)cc1 ZINC000034784673 526875169 /nfs/dbraw/zinc/87/51/69/526875169.db2.gz KNYNVZRFIZIFSK-UHFFFAOYSA-N 0 0 420.376 4.439 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(Cl)c(Br)[nH]1 ZINC000040118681 527325644 /nfs/dbraw/zinc/32/56/44/527325644.db2.gz DZLSZMSMEMRGFO-UHFFFAOYSA-N 0 0 400.663 4.478 50 30 HIEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000001252168 527639414 /nfs/dbraw/zinc/63/94/14/527639414.db2.gz PKNXQUSZSQQXOY-RGPPVUSESA-N 0 0 407.853 4.340 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000000666675 557045956 /nfs/dbraw/zinc/04/59/56/557045956.db2.gz VXLMVFZGDZNLJP-GAJHUEQPSA-N 0 0 421.468 4.369 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000752196 557075593 /nfs/dbraw/zinc/07/55/93/557075593.db2.gz OTQQYRMAPJSXMG-JOCHJYFZSA-N 0 0 402.494 4.429 50 30 HIEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Br)c1O ZINC000001006803 557141318 /nfs/dbraw/zinc/14/13/18/557141318.db2.gz STOPSZCSKDJMSP-UHFFFAOYSA-N 0 0 419.271 4.291 50 30 HIEARN COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000001022929 557144175 /nfs/dbraw/zinc/14/41/75/557144175.db2.gz IUUQICVZNYYMIA-QHCPKHFHSA-N 0 0 403.478 4.407 50 30 HIEARN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(CC#N)cc3)ccc2C)c1 ZINC000001059452 557163063 /nfs/dbraw/zinc/16/30/63/557163063.db2.gz GBEKCUGDLMALGM-UHFFFAOYSA-N 0 0 419.506 4.423 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1ccco1 ZINC000001074758 557172268 /nfs/dbraw/zinc/17/22/68/557172268.db2.gz OMGVMLPELGFZNJ-XDHUDOTRSA-N 0 0 420.509 4.270 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1Br ZINC000001130775 557198195 /nfs/dbraw/zinc/19/81/95/557198195.db2.gz QDYIKFYWVMKVIL-KRWDZBQOSA-N 0 0 410.267 4.191 50 30 HIEARN O=S(=O)(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1 ZINC000001177815 557228723 /nfs/dbraw/zinc/22/87/23/557228723.db2.gz WKCFZIKZOQXYMO-HYARGMPZSA-N 0 0 400.887 4.231 50 30 HIEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)CCCC3 ZINC000001183721 557232337 /nfs/dbraw/zinc/23/23/37/557232337.db2.gz SRIAJLIZKGCQEW-FOKLQQMPSA-N 0 0 420.450 4.387 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000002063645 557305039 /nfs/dbraw/zinc/30/50/39/557305039.db2.gz PRVCYFTZENQXKD-QFIPXVFZSA-N 0 0 409.507 4.338 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 ZINC000002063674 557305283 /nfs/dbraw/zinc/30/52/83/557305283.db2.gz WFSCUWMFVZHRLB-SFHVURJKSA-N 0 0 404.304 4.370 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000002185573 557324208 /nfs/dbraw/zinc/32/42/08/557324208.db2.gz HKLFTVOXFHVUHI-YADARESESA-N 0 0 415.489 4.483 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)o1 ZINC000002784261 557387720 /nfs/dbraw/zinc/38/77/20/557387720.db2.gz SWRFQWIGVHMEBX-HXUWFJFHSA-N 0 0 403.544 4.488 50 30 HIEARN CC(C)(C)C(=O)OCC#CCSc1nnc(-c2ccc(Br)cc2)o1 ZINC000002812885 557394474 /nfs/dbraw/zinc/39/44/74/557394474.db2.gz RZFCWSGMGNRUDW-UHFFFAOYSA-N 0 0 409.305 4.184 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(O)cc1 ZINC000002844218 557402139 /nfs/dbraw/zinc/40/21/39/557402139.db2.gz IAPCWILQLNQMGA-ZHRRBRCNSA-N 0 0 407.441 4.066 50 30 HIEARN C=CCc1ccc(OCCOc2ccc(Cl)cc2/C=N/n2cnnc2)c(OC)c1 ZINC000002978139 557433941 /nfs/dbraw/zinc/43/39/41/557433941.db2.gz DFWAFJCKGVTHFA-DHRITJCHSA-N 0 0 412.877 4.009 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000003094406 557445819 /nfs/dbraw/zinc/44/58/19/557445819.db2.gz IVHGCFIOCGOIIW-IBGZPJMESA-N 0 0 403.906 4.134 50 30 HIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 ZINC000004130973 557517887 /nfs/dbraw/zinc/51/78/87/557517887.db2.gz BZNCXIDLIUZKEF-QGZVFWFLSA-N 0 0 404.304 4.370 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)c1 ZINC000004632287 557574612 /nfs/dbraw/zinc/57/46/12/557574612.db2.gz CDSVSASWFOVEIL-IBGZPJMESA-N 0 0 415.511 4.150 50 30 HIEARN COc1cc2c(cc1/C=C1/S/C(=N\c3cc(Cl)ccc3C)NC1=O)OCO2 ZINC000004695322 557582140 /nfs/dbraw/zinc/58/21/40/557582140.db2.gz CAXGKZFVOMVIIT-UBKPWBPPSA-N 0 0 402.859 4.277 50 30 HIEARN COc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 ZINC000004712089 557585969 /nfs/dbraw/zinc/58/59/69/557585969.db2.gz RULXDUCXEPSFKO-CIAFOILYSA-N 0 0 409.402 4.365 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000004820103 557602311 /nfs/dbraw/zinc/60/23/11/557602311.db2.gz UDRSZWHWQPQEBK-NRFANRHFSA-N 0 0 419.433 4.297 50 30 HIEARN COc1cc(CN=Nc2nnc(Cl)c3ccccc32)cc(Br)c1O ZINC000004858017 557607201 /nfs/dbraw/zinc/60/72/01/557607201.db2.gz VIMCAAPVWJPZLN-UFWORHAWSA-N 0 0 407.655 4.206 50 30 HIEARN O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004914003 557613218 /nfs/dbraw/zinc/61/32/18/557613218.db2.gz MUDYKRAOWOUZJA-RYUDHWBXSA-N 0 0 402.859 4.314 50 30 HIEARN CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000004914201 557613254 /nfs/dbraw/zinc/61/32/54/557613254.db2.gz YCVFPGYTNBGJNI-KXBFYZLASA-N 0 0 421.493 4.107 50 30 HIEARN CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc1 ZINC000004914239 557613377 /nfs/dbraw/zinc/61/33/77/557613377.db2.gz GJUBKBKBIFERIF-YLJYHZDGSA-N 0 0 405.494 4.271 50 30 HIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000004915203 557613629 /nfs/dbraw/zinc/61/36/29/557613629.db2.gz UHMNMEOISKSDRK-MJGOQNOKSA-N 0 0 421.493 4.107 50 30 HIEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000004945091 557615980 /nfs/dbraw/zinc/61/59/80/557615980.db2.gz KPMIMPIPSWSKEH-HXOBKFHXSA-N 0 0 416.481 4.019 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000005027542 557627414 /nfs/dbraw/zinc/62/74/14/557627414.db2.gz OEEOWVHBBQDKLJ-QVKFZJNVSA-N 0 0 415.555 4.383 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000005045114 557629220 /nfs/dbraw/zinc/62/92/20/557629220.db2.gz KEGXGXWSTOSVFD-INIZCTEOSA-N 0 0 410.253 4.120 50 30 HIEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2Br)cc1OC ZINC000005046765 557629540 /nfs/dbraw/zinc/62/95/40/557629540.db2.gz NQJGESKWHFHPKS-BQYQJAHWSA-N 0 0 407.220 4.183 50 30 HIEARN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)c1 ZINC000005408602 557651600 /nfs/dbraw/zinc/65/16/00/557651600.db2.gz JQZYNMAWONNQIA-QFIPXVFZSA-N 0 0 414.461 4.259 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000005444592 557653985 /nfs/dbraw/zinc/65/39/85/557653985.db2.gz FNGXVYVKINJBNE-NRFANRHFSA-N 0 0 400.434 4.263 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005489267 557657222 /nfs/dbraw/zinc/65/72/22/557657222.db2.gz RFYVGVDTYHBHNK-HSZRJFAPSA-N 0 0 417.509 4.395 50 30 HIEARN O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000005596039 557664318 /nfs/dbraw/zinc/66/43/18/557664318.db2.gz YPCGKWCFZOJWOM-QGZVFWFLSA-N 0 0 409.804 4.052 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005646516 557666326 /nfs/dbraw/zinc/66/63/26/557666326.db2.gz HAOJSADPIJLJOJ-JOCHJYFZSA-N 0 0 403.482 4.005 50 30 HIEARN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000005812688 557675789 /nfs/dbraw/zinc/67/57/89/557675789.db2.gz UXVFBPQEULIQRE-JOCHJYFZSA-N 0 0 414.461 4.177 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000006786627 557721159 /nfs/dbraw/zinc/72/11/59/557721159.db2.gz QCFVKESBIREDPN-HXUWFJFHSA-N 0 0 407.397 4.206 50 30 HIEARN CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000006819464 557725057 /nfs/dbraw/zinc/72/50/57/557725057.db2.gz ZOXKBZXTHZDKGZ-WMZOPIPTSA-N 0 0 421.493 4.107 50 30 HIEARN CCOC(=O)COc1ccccc1/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000006941038 557730828 /nfs/dbraw/zinc/73/08/28/557730828.db2.gz JSMWBYCEKNGLMV-YVLHZVERSA-N 0 0 416.886 4.174 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000002700583 557741120 /nfs/dbraw/zinc/74/11/20/557741120.db2.gz BDOURXBNFKORRV-UHFFFAOYSA-N 0 0 413.474 4.262 50 30 HIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(F)c(Cl)c3)o2)cnn1C ZINC000002798215 557762138 /nfs/dbraw/zinc/76/21/38/557762138.db2.gz STJQCCDNWRQNBQ-YSURURNPSA-N 0 0 418.856 4.275 50 30 HIEARN CCOc1cc(C=NNc2ccccc2)cc(I)c1OCC#N ZINC000008399734 557786548 /nfs/dbraw/zinc/78/65/48/557786548.db2.gz RAYGNEIGWDRTOC-UDWIEESQSA-N 0 0 421.238 4.038 50 30 HIEARN C/C(=N\N1C(=N)S[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O)c1ccc(F)cc1 ZINC000008426791 557788135 /nfs/dbraw/zinc/78/81/35/557788135.db2.gz GNLWYCZSJMKWES-DRCZWBPLSA-N 0 0 418.881 4.111 50 30 HIEARN O=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000008636613 557797812 /nfs/dbraw/zinc/79/78/12/557797812.db2.gz FJPIQXLBPNBTBX-JFLMPSFJSA-N 0 0 421.460 4.043 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C ZINC000008902798 557813725 /nfs/dbraw/zinc/81/37/25/557813725.db2.gz SCESYDCSTKFUHC-HXUWFJFHSA-N 0 0 420.490 4.239 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)c1 ZINC000009046392 557820557 /nfs/dbraw/zinc/82/05/57/557820557.db2.gz RVJGBFDSPNFPAD-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCOC)cc1 ZINC000009067662 557821905 /nfs/dbraw/zinc/82/19/05/557821905.db2.gz PPLIYUNJFHVJSW-JOCHJYFZSA-N 0 0 423.509 4.181 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 ZINC000009123695 557824446 /nfs/dbraw/zinc/82/44/46/557824446.db2.gz AXWQNCWUNQJPTH-QGZVFWFLSA-N 0 0 416.246 4.353 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)c1 ZINC000004333611 558263602 /nfs/dbraw/zinc/26/36/02/558263602.db2.gz LNWZRXBEWIKHQJ-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019775027 558280791 /nfs/dbraw/zinc/28/07/91/558280791.db2.gz RFXYBDUOLFJPRS-HSZRJFAPSA-N 0 0 416.521 4.472 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019774614 558280852 /nfs/dbraw/zinc/28/08/52/558280852.db2.gz SSZYHSHBAAXNBH-BEFAXECRSA-N 0 0 401.528 4.074 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccncc1 ZINC000019830828 558291520 /nfs/dbraw/zinc/29/15/20/558291520.db2.gz BKMFVQKUGFSMRM-MBSDFSHPSA-N 0 0 418.493 4.015 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000019907278 558305828 /nfs/dbraw/zinc/30/58/28/558305828.db2.gz KHAISCFGBMCSKS-GAJHUEQPSA-N 0 0 421.468 4.369 50 30 HIEARN N#CC1(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21 ZINC000020394658 558359569 /nfs/dbraw/zinc/35/95/69/558359569.db2.gz KKLOEHIWPXZXEA-CEXWTWQISA-N 0 0 409.276 4.006 50 30 HIEARN NC(=O)CC1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)C1=O ZINC000020457910 558371044 /nfs/dbraw/zinc/37/10/44/558371044.db2.gz KYHPNLRJHYFOAI-VGLIXDPASA-N 0 0 408.310 4.001 50 30 HIEARN NC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(Cl)cc2)S1 ZINC000012656531 558444662 /nfs/dbraw/zinc/44/46/62/558444662.db2.gz KVKUNMJJVVGQLJ-YUCJCZDXSA-N 0 0 408.310 4.001 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 ZINC000004357985 558446401 /nfs/dbraw/zinc/44/64/01/558446401.db2.gz VJKXGXJCKUCDDV-UHFFFAOYSA-N 0 0 418.566 4.459 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013122837 558517490 /nfs/dbraw/zinc/51/74/90/558517490.db2.gz ZTFHFGLHUAYVJD-HXUWFJFHSA-N 0 0 400.390 4.378 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1 ZINC000013212205 558525946 /nfs/dbraw/zinc/52/59/46/558525946.db2.gz NXLUGOAKYFPKCE-OAQYLSRUSA-N 0 0 416.433 4.018 50 30 HIEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)c1 ZINC000013482343 558534457 /nfs/dbraw/zinc/53/44/57/558534457.db2.gz LGTHLNMURRWVPX-OTPBECDQSA-N 0 0 406.482 4.316 50 30 HIEARN CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(F)cc1 ZINC000013573520 558542804 /nfs/dbraw/zinc/54/28/04/558542804.db2.gz ZQVJFGVEBMWMJF-SFHVURJKSA-N 0 0 404.507 4.127 50 30 HIEARN CC(C)(C)C1CCC2(CC1)CC(=O)c1ccc(OCC(=O)Nc3nc[nH]n3)cc1O2 ZINC000013731871 558586792 /nfs/dbraw/zinc/58/67/92/558586792.db2.gz MJRQHLDMLROSDA-UHFFFAOYSA-N 0 0 412.490 4.412 50 30 HIEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccco3)C12 ZINC000013816182 558596104 /nfs/dbraw/zinc/59/61/04/558596104.db2.gz LADIOSBAWGGANY-SJCJKPOMSA-N 0 0 400.360 4.306 50 30 HIEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000004492818 558609992 /nfs/dbraw/zinc/60/99/92/558609992.db2.gz XFFKRMKTVDGHOJ-QGZVFWFLSA-N 0 0 422.554 4.178 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccccc1C ZINC000004512824 558627847 /nfs/dbraw/zinc/62/78/47/558627847.db2.gz MGDLZYBCNYJMCX-UHFFFAOYSA-N 0 0 408.458 4.282 50 30 HIEARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000014197951 558634362 /nfs/dbraw/zinc/63/43/62/558634362.db2.gz PEMRFDUMOKLWDI-UHFFFAOYSA-N 0 0 423.469 4.334 50 30 HIEARN C=CCN1C(=O)/C(=C/C=C/C=C/N(C(C)=O)c2ccc(OC)cc2)SC1=S ZINC000004525790 558653439 /nfs/dbraw/zinc/65/34/39/558653439.db2.gz BWNKJPPJEXACJU-VCGOOPIJSA-N 0 0 400.525 4.048 50 30 HIEARN C=CCC1=C[C@](OC)(/C(C)=C/c2cc(OC)c(OC)c(OC)c2)C(OC)=CC1=O ZINC000014658197 558662847 /nfs/dbraw/zinc/66/28/47/558662847.db2.gz LNCSXXRCEFAYFK-VOCPSOEZSA-N 0 0 400.471 4.116 50 30 biogenic,in-vitro HIEARN Cc1ccc(S(=O)(=O)/N=C(/NC(=S)Nc2ccccc2)c2ccccc2)cc1 ZINC000013482078 558671764 /nfs/dbraw/zinc/67/17/64/558671764.db2.gz KGQQJVZZQBFORJ-UHFFFAOYSA-N 0 0 409.536 4.117 50 30 HIEARN C#CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000072268250 558671956 /nfs/dbraw/zinc/67/19/56/558671956.db2.gz CWJODDXRVLRTDT-QHCPKHFHSA-N 0 0 404.510 4.002 50 30 HIEARN CCCN1c2ccc(Br)cc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004554719 558722690 /nfs/dbraw/zinc/72/26/90/558722690.db2.gz INLUOOMXUZXHDE-IZUALYBUSA-N 0 0 414.299 4.066 50 30 HIEARN Cc1ccc(S(=O)(=O)OC2CC(C)(C)N(OC(=O)c3ccco3)C(C)(C)C2)cc1 ZINC000004578062 558754467 /nfs/dbraw/zinc/75/44/67/558754467.db2.gz ADYUSHADFHYGGH-UHFFFAOYSA-N 0 0 421.515 4.087 50 30 HIEARN CCCc1cc(N2CCN(c3cccc(C)n3)CC2)n2c3ccccc3nc2c1C#N ZINC000100693002 558770718 /nfs/dbraw/zinc/77/07/18/558770718.db2.gz RGJMZWZZVWILKP-UHFFFAOYSA-N 0 0 410.525 4.342 50 30 HIEARN O=C(Cc1ccccc1)N/C(=N/OCC1CC1)c1c(F)c(F)ccc1C(F)(F)F ZINC000033988475 558772776 /nfs/dbraw/zinc/77/27/76/558772776.db2.gz ACMXQHFNODYQAT-UHFFFAOYSA-N 0 0 412.358 4.431 50 30 in-vitro HIEARN O=C1[C@@H](c2ccccc2)S/C(=N\c2ccccc2)N1S(=O)(=O)c1ccccc1 ZINC000100842616 558799147 /nfs/dbraw/zinc/79/91/47/558799147.db2.gz GXJKSVVWQRWBMW-LURZSEBBSA-N 0 0 408.504 4.380 50 30 HIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000016742035 558803995 /nfs/dbraw/zinc/80/39/95/558803995.db2.gz FRJOQWYPEVGOHE-JOCHJYFZSA-N 0 0 418.493 4.082 50 30 HIEARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997197 558808460 /nfs/dbraw/zinc/80/84/60/558808460.db2.gz QDPAUTGBRZFGFB-NRFANRHFSA-N 0 0 417.494 4.356 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000017147129 558824047 /nfs/dbraw/zinc/82/40/47/558824047.db2.gz CIXXBWPOZSPDMG-HXUWFJFHSA-N 0 0 415.405 4.081 50 30 HIEARN Cc1cccc(NC(=O)C(N=Nc2ccc3c(c2)OCO3)C(=O)c2ccccc2)c1 ZINC000017201391 558825661 /nfs/dbraw/zinc/82/56/61/558825661.db2.gz DDTAVQMIIPRWJN-QLYXXIJNSA-N 0 0 401.422 4.013 50 30 HIEARN COC(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)cc1 ZINC000033011025 558830245 /nfs/dbraw/zinc/83/02/45/558830245.db2.gz AKYASNWUBVXHDN-UHFFFAOYSA-N 0 0 409.492 4.199 50 30 HIEARN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N ZINC000033011085 558830435 /nfs/dbraw/zinc/83/04/35/558830435.db2.gz QPGGGRJHCIBXQA-UHFFFAOYSA-N 0 0 417.490 4.446 50 30 HIEARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)c1 ZINC000033011256 558831338 /nfs/dbraw/zinc/83/13/38/558831338.db2.gz FNGWMAPFPYIFCT-UHFFFAOYSA-N 0 0 405.479 4.368 50 30 HIEARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000072313120 558838174 /nfs/dbraw/zinc/83/81/74/558838174.db2.gz HRTQUEJSAXCMLR-FQEVSTJZSA-N 0 0 412.490 4.154 50 30 HIEARN CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000004679875 558890458 /nfs/dbraw/zinc/89/04/58/558890458.db2.gz IXMFLEGNLILZLL-PIJRJAKLSA-N 0 0 410.495 4.414 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccccc2OC)C1=O ZINC000004688350 558898770 /nfs/dbraw/zinc/89/87/70/558898770.db2.gz WGVZMYXTJCOCEK-QGOAFFKASA-N 0 0 411.479 4.247 50 30 HIEARN COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2ccccc2)C1=O ZINC000004699823 558907675 /nfs/dbraw/zinc/90/76/75/558907675.db2.gz LEMPDBVLUFFGSY-HDKKRFQTSA-N 0 0 404.850 4.299 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S ZINC000004711435 558916788 /nfs/dbraw/zinc/91/67/88/558916788.db2.gz ZJDKQNDWXJSXRV-XSFVSMFZSA-N 0 0 421.566 4.204 50 30 HIEARN NC(=O)COc1cccc(C=C2SC(=O)N=C2Nc2cccc(C(F)(F)F)c2)c1 ZINC000072400933 558935263 /nfs/dbraw/zinc/93/52/63/558935263.db2.gz QVCPZFDGJJCEEE-NVNXTCNLSA-N 0 0 421.400 4.301 50 30 HIEARN CC(=CC(=O)Nc1ccc(Cl)cc1)NNS(=O)(=O)c1ccc2ccccc2c1 ZINC000062779954 558954148 /nfs/dbraw/zinc/95/41/48/558954148.db2.gz NLAKTZGVZBPKTH-OEAKJJBVSA-N 0 0 415.902 4.176 50 30 HIEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000022085945 558990651 /nfs/dbraw/zinc/99/06/51/558990651.db2.gz UIMDZKLVTNPKJR-UHFFFAOYSA-N 0 0 416.437 4.228 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(F)cc1 ZINC000004736241 559035402 /nfs/dbraw/zinc/03/54/02/559035402.db2.gz YJVFNOBTPQIAIS-LBPRGKRZSA-N 0 0 403.508 4.154 50 30 HIEARN CC(N=Nc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1)c1ccccc1 ZINC000004737536 559041281 /nfs/dbraw/zinc/04/12/81/559041281.db2.gz KAQRLNJVFKEYIR-ZXVVBBHZSA-N 0 0 407.566 4.469 50 30 HIEARN CC(=Nc1cc(C)c2oc(=O)sc2c1C(C)C)NS(=O)(=O)c1ccccc1 ZINC000585152475 559061472 /nfs/dbraw/zinc/06/14/72/559061472.db2.gz MYRZUTKZLPFLMZ-UHFFFAOYSA-N 0 0 404.513 4.315 50 30 HIEARN Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)OCCOc1ccc(C#N)cc1 ZINC000011372981 559067148 /nfs/dbraw/zinc/06/71/48/559067148.db2.gz DELMPSVTXZCFFP-OUKQBFOZSA-N 0 0 415.493 4.364 50 30 HIEARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)c2ccccc12 ZINC000011373067 559067161 /nfs/dbraw/zinc/06/71/61/559067161.db2.gz SOFSHVNOSNDNRZ-GOSISDBHSA-N 0 0 413.477 4.211 50 30 HIEARN CC(=O)Nc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000096318696 559109944 /nfs/dbraw/zinc/10/99/44/559109944.db2.gz XVKHRMMXLDJBJQ-FQEVSTJZSA-N 0 0 414.465 4.101 50 30 HIEARN COc1cc(OC)c([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1OC ZINC000004818386 559115969 /nfs/dbraw/zinc/11/59/69/559115969.db2.gz COJPWEFFRMUVFR-NRFANRHFSA-N 0 0 417.461 4.014 50 30 HIEARN COc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)ccc1O ZINC000100008723 559128577 /nfs/dbraw/zinc/12/85/77/559128577.db2.gz LOUBSQZNMGONGE-HXUWFJFHSA-N 0 0 414.498 4.260 50 30 HIEARN Cc1[nH]c(=O)c(C(=O)/C=C\c2ccc(I)cc2)c2c1CCCC2 ZINC000033394539 559159380 /nfs/dbraw/zinc/15/93/80/559159380.db2.gz RWJYBVMMEKRAMB-FLIBITNWSA-N 0 0 419.262 4.063 50 30 HIEARN Cc1c(/N=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000100164753 559167733 /nfs/dbraw/zinc/16/77/33/559167733.db2.gz IVMOECSBMNBSTQ-LFVJCYFKSA-N 0 0 419.485 4.134 50 30 HIEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(F)cc3)S2)cc1 ZINC000100184436 559173928 /nfs/dbraw/zinc/17/39/28/559173928.db2.gz UJRUAKRIYLZNPE-QAYQYMSWSA-N 0 0 415.490 4.205 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O ZINC000100297605 559193214 /nfs/dbraw/zinc/19/32/14/559193214.db2.gz XXSSADKIMXVYAN-MRJHHRETSA-N 0 0 401.418 4.027 50 30 HIEARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1ccccc1C#N ZINC000004877824 559195650 /nfs/dbraw/zinc/19/56/50/559195650.db2.gz VGGCAXCZVKUGCY-UHFFFAOYSA-N 0 0 415.518 4.368 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000100439802 559200866 /nfs/dbraw/zinc/20/08/66/559200866.db2.gz 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COc1ccc(C(=O)/C=C/c2ccccc2Cl)c(OC(=O)N2CCOCC2)c1 ZINC000005022843 559230572 /nfs/dbraw/zinc/23/05/72/559230572.db2.gz DYHLQVWHIHHXLW-RMKNXTFCSA-N 0 0 401.846 4.076 50 30 HIEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)c(OC)c1OC ZINC000005042658 559236147 /nfs/dbraw/zinc/23/61/47/559236147.db2.gz GGHJELGXNMGYSY-XNTDXEJSSA-N 0 0 404.875 4.257 50 30 HIEARN COc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 ZINC000100587651 559236599 /nfs/dbraw/zinc/23/65/99/559236599.db2.gz YNROXWIHWIAEMG-FQEVSTJZSA-N 0 0 421.522 4.045 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005051284 559237156 /nfs/dbraw/zinc/23/71/56/559237156.db2.gz WFNHNYCJEHMOFY-SGNDLWITSA-N 0 0 422.481 4.302 50 30 HIEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000005161815 559274305 /nfs/dbraw/zinc/27/43/05/559274305.db2.gz XLVODEIZSYWTTH-PKSBALPTSA-N 0 0 403.228 4.006 50 30 HIEARN Cc1[n-]n(-c2nc(-c3ccccc3O)cs2)c(=O)c1N=Nc1cccc(C)c1C ZINC000252623853 559278771 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406.265 4.245 50 30 HIEARN O=C1C=C(NCCNC2=CC(=O)C[C@@H](c3ccccc3)C2)C[C@H](c2ccccc2)C1 ZINC000136551353 560598455 /nfs/dbraw/zinc/59/84/55/560598455.db2.gz CYGMVMWPNWRNEM-VXKWHMMOSA-N 0 0 400.522 4.227 50 30 HIEARN CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1 ZINC000005546251 560607644 /nfs/dbraw/zinc/60/76/44/560607644.db2.gz RTNUNBDAKFQCAZ-NXBZYNMESA-N 0 0 418.522 4.314 50 30 HIEARN CCc1ccc(-c2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)n[nH]2)cc1 ZINC000005178896 560624968 /nfs/dbraw/zinc/62/49/68/560624968.db2.gz JCMOZGPNFBFMDJ-UHFFFAOYSA-N 0 0 409.540 4.187 50 30 HIEARN Cc1n[nH]c(=S)n1N=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000005603324 560629660 /nfs/dbraw/zinc/62/96/60/560629660.db2.gz DPTIUZLUQWMGRB-VXLYETTFSA-N 0 0 403.305 4.473 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000005646144 560636225 /nfs/dbraw/zinc/63/62/25/560636225.db2.gz NOPYJQVACUVCAC-OAQYLSRUSA-N 0 0 419.477 4.225 50 30 HIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000002868241 560732222 /nfs/dbraw/zinc/73/22/22/560732222.db2.gz YXKRIWUNVZQGAU-HNNXBMFYSA-N 0 0 423.498 4.156 50 30 HIEARN O=c1[nH][nH]c2c1[C@H](c1cc(Cl)ccc1O)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196317 560782581 /nfs/dbraw/zinc/78/25/81/560782581.db2.gz MTTDNTDKQWWVOC-XXFAHNHDSA-N 0 0 413.886 4.494 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000018198499 560783640 /nfs/dbraw/zinc/78/36/40/560783640.db2.gz QCLMRHXAOIZXPW-GAJHUEQPSA-N 0 0 416.481 4.019 50 30 HIEARN Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000018209169 560784416 /nfs/dbraw/zinc/78/44/16/560784416.db2.gz RMCPIMXCWHFWCW-OAHLLOKOSA-N 0 0 405.401 4.013 50 30 HIEARN CCCC[C@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O ZINC000101219151 560790211 /nfs/dbraw/zinc/79/02/11/560790211.db2.gz MJCLIFNCNGDXDK-PNBGARPFSA-N 0 0 402.541 4.379 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC ZINC000101284990 560790638 /nfs/dbraw/zinc/79/06/38/560790638.db2.gz 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HIEARN Cc1cccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)c1 ZINC000103321588 560840791 /nfs/dbraw/zinc/84/07/91/560840791.db2.gz NOONKPUWJAGVII-DAFNUICNSA-N 0 0 402.475 4.365 50 30 HIEARN N#Cc1ccc(NC(=O)c2cc(C=Cc3ccccc3)[nH]c(=S)n2)cc1[N+](=O)[O-] ZINC000005734103 560860404 /nfs/dbraw/zinc/86/04/04/560860404.db2.gz GVCSXSMHUSGJSZ-SOFGYWHQSA-N 0 0 403.423 4.342 50 30 HIEARN CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000012070145 560888187 /nfs/dbraw/zinc/88/81/87/560888187.db2.gz OYAXEXXKUSRBBV-CQSZACIVSA-N 0 0 416.568 4.108 50 30 HIEARN CC(=O)Nc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)ccc2C)c1 ZINC000046125708 568428515 /nfs/dbraw/zinc/42/85/15/568428515.db2.gz MARQHHLRBIXUNU-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN COc1cc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccccn2)cc(OC)c1 ZINC000046126616 568428687 /nfs/dbraw/zinc/42/86/87/568428687.db2.gz MICCLQYAXKTKQQ-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(OC)c(OC)c2)cc1 ZINC000046126604 568428704 /nfs/dbraw/zinc/42/87/04/568428704.db2.gz RCVMKBFALIVQAR-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)cc2C)c1 ZINC000046127519 568428816 /nfs/dbraw/zinc/42/88/16/568428816.db2.gz SSIFDHUHCGGASD-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(CC)cc2)NCc2cccnc2)cc1 ZINC000046127122 568428821 /nfs/dbraw/zinc/42/88/21/568428821.db2.gz NUGLATHIZRKXCQ-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)c(C)c2)c1 ZINC000046127387 568428833 /nfs/dbraw/zinc/42/88/33/568428833.db2.gz BWKJPNZBUJPEOO-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN O=C(N=C(NCc1cccnc1)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000046128109 568428929 /nfs/dbraw/zinc/42/89/29/568428929.db2.gz AGTRMUHTDPPLBE-UHFFFAOYSA-N 0 0 400.816 4.411 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@H]2CCCO2)cc1 ZINC000046128972 568429080 /nfs/dbraw/zinc/42/90/80/568429080.db2.gz TVMCPZWOQGXLAW-LJQANCHMSA-N 0 0 401.894 4.116 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(Cl)ccc2C)cc1 ZINC000046129218 568429129 /nfs/dbraw/zinc/42/91/29/568429129.db2.gz HDALVRNXQIYRIW-IBGZPJMESA-N 0 0 415.921 4.424 50 30 HIEARN N#CN=C(Nc1ccccc1Cl)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000113482000 568451234 /nfs/dbraw/zinc/45/12/34/568451234.db2.gz SIBFSTYSNKEHNJ-OAHLLOKOSA-N 0 0 419.293 4.308 50 30 HIEARN CCc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(SC)n2)c(N)c1C#N ZINC000000644456 568457181 /nfs/dbraw/zinc/45/71/81/568457181.db2.gz HYAPLGDYZURAAS-UHFFFAOYSA-N 0 0 400.895 4.155 50 30 HIEARN C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000000689071 568461791 /nfs/dbraw/zinc/46/17/91/568461791.db2.gz BZTKWQNOXFVQLW-MOSHPQCFSA-N 0 0 403.301 4.305 50 30 HIEARN N#Cc1cccc(C(=O)N(Cc2cccs2)c2ccc(CN3CCOCC3)cc2)c1 ZINC000024772653 568462040 /nfs/dbraw/zinc/46/20/40/568462040.db2.gz XQZZMKLSZAJEKP-UHFFFAOYSA-N 0 0 417.534 4.299 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1OC ZINC000012322046 568470868 /nfs/dbraw/zinc/47/08/68/568470868.db2.gz BOXOKTISXDZKLO-UHFFFAOYSA-N 0 0 424.522 4.385 50 30 HIEARN COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C)o1)C3=O ZINC000604404018 568492316 /nfs/dbraw/zinc/49/23/16/568492316.db2.gz IHLCVUOIIFBYHV-LTKMBJGESA-N 0 0 403.390 4.400 50 30 HIEARN C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000005776451 568505465 /nfs/dbraw/zinc/50/54/65/568505465.db2.gz MYJRAZSUWNIBJX-OCCSQVGLSA-N 0 0 404.605 4.310 50 30 HIEARN CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1C#N ZINC000020176019 568592631 /nfs/dbraw/zinc/59/26/31/568592631.db2.gz YVCIGSSUXLZKMG-YBFXNURJSA-N 0 0 410.520 4.367 50 30 HIEARN COc1c2c(cc3c1[C@H](C#CCSc1nc4ccccc4s1)N(C)CC3)OCO2 ZINC000020411840 568605486 /nfs/dbraw/zinc/60/54/86/568605486.db2.gz AFLVWZIUIJSHJS-INIZCTEOSA-N 0 0 424.547 4.358 50 30 HIEARN CC(=O)Nc1ccc(CC(=O)OC2CCC(Nc3ccc(C#N)cc3C)CC2)cc1 ZINC000095444276 568611405 /nfs/dbraw/zinc/61/14/05/568611405.db2.gz RJAKOAGPAFBWHD-UHFFFAOYSA-N 0 0 405.498 4.334 50 30 HIEARN CC/N=C1\S/C(=C\c2cn(CC(=O)NC3CCCC3)c3ccccc23)C(=O)N1CC ZINC000225385454 568633333 /nfs/dbraw/zinc/63/33/33/568633333.db2.gz JBWZZJIHQFCGIG-AXBKCQHESA-N 0 0 424.570 4.012 50 30 HIEARN N#Cc1cnn2c1N(C(=O)CCc1ccc(F)cc1)[C@H](C1CC1)C[C@H]2C(F)(F)F ZINC000020607955 568635646 /nfs/dbraw/zinc/63/56/46/568635646.db2.gz DMUQJKGFZQOSHR-IRXDYDNUSA-N 0 0 406.383 4.145 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccc(OC)cc1 ZINC000225512294 568645215 /nfs/dbraw/zinc/64/52/15/568645215.db2.gz LHWPBYYMQDCYJN-GMAHTHKFSA-N 0 0 410.466 4.032 50 30 HIEARN Cc1nc2ccccc2n1C[C@H](O)Cn1c2ccc(C)cc2c2c1/C(=N\O)CCC2 ZINC000096024145 568685990 /nfs/dbraw/zinc/68/59/90/568685990.db2.gz JGLNEYZMCHAXFN-OEJOWEAXSA-N 0 0 402.498 4.184 50 30 HIEARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2ncccc2C#N)CC1 ZINC000096102871 568691477 /nfs/dbraw/zinc/69/14/77/568691477.db2.gz OOBUIYNERDVDBR-UHFFFAOYSA-N 0 0 422.872 4.254 50 30 HIEARN N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2cccs2)CC1 ZINC000012418630 568719255 /nfs/dbraw/zinc/71/92/55/568719255.db2.gz GKQGNYFYFUEAOA-VMPITWQZSA-N 0 0 424.913 4.394 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000005799645 568734967 /nfs/dbraw/zinc/73/49/67/568734967.db2.gz BVYPIOPCBYPIKT-FQEVSTJZSA-N 0 0 404.422 4.165 50 30 HIEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000005799617 568735102 /nfs/dbraw/zinc/73/51/02/568735102.db2.gz PSIPQUUSJXBIPC-JOCHJYFZSA-N 0 0 414.461 4.259 50 30 HIEARN Cc1ccc(CSc2nncn2/N=C/c2cc(Br)ccc2O)cc1 ZINC000000940363 568753062 /nfs/dbraw/zinc/75/30/62/568753062.db2.gz HTXLYGZMCBETKT-AWQFTUOYSA-N 0 0 403.305 4.229 50 30 HIEARN Cc1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n2c3ccccc3nc2c1C#N ZINC000025251922 568760501 /nfs/dbraw/zinc/76/05/01/568760501.db2.gz SHTGVNJNBCTSIT-HNNXBMFYSA-N 0 0 404.495 4.244 50 30 HIEARN CN(C(=O)c1ccccc1)c1c(C#N)cnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000096592645 568763239 /nfs/dbraw/zinc/76/32/39/568763239.db2.gz RBDZJLMUDINYQQ-UHFFFAOYSA-N 0 0 405.767 4.088 50 30 HIEARN COc1cc2c(cc1OC)-c1c(C#N)c(-c3ccc4c(c3)OCO4)c(C(C)=O)n1CC2 ZINC000001035541 568764101 /nfs/dbraw/zinc/76/41/01/568764101.db2.gz AZEHTBXERHPRPU-UHFFFAOYSA-N 0 0 416.433 4.198 50 30 HIEARN COC(=O)[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1 ZINC000001059700 568765025 /nfs/dbraw/zinc/76/50/25/568765025.db2.gz WKFGBYMVGYASEY-OAQYLSRUSA-N 0 0 402.475 4.354 50 30 HIEARN COC(=O)[C@@H]1C(=O)C=C(Nc2sc3c(c2C#N)CCCC3)C[C@H]1c1ccccc1 ZINC000001079981 568767499 /nfs/dbraw/zinc/76/74/99/568767499.db2.gz GIAFOBGYEXCECD-UWJYYQICSA-N 0 0 406.507 4.340 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000001102376 568771389 /nfs/dbraw/zinc/77/13/89/568771389.db2.gz ITFPBPRJWUZEDK-NRFANRHFSA-N 0 0 417.392 4.337 50 30 HIEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CCCC3=O)s1 ZINC000002493533 568776256 /nfs/dbraw/zinc/77/62/56/568776256.db2.gz RUVDYSGLUFRAPQ-LBPRGKRZSA-N 0 0 403.554 4.405 50 30 HIEARN N#Cc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC000002617114 568785814 /nfs/dbraw/zinc/78/58/14/568785814.db2.gz WDPNMHOGEMGNIC-UHFFFAOYSA-N 0 0 418.836 4.238 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2ccccc2c1=O ZINC000002618389 568786237 /nfs/dbraw/zinc/78/62/37/568786237.db2.gz WCGFVNMNUVKMAD-UHFFFAOYSA-N 0 0 401.491 4.467 50 30 HIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 ZINC000002620460 568787607 /nfs/dbraw/zinc/78/76/07/568787607.db2.gz HTUDDZPBEWJFLJ-UHFFFAOYSA-N 0 0 420.325 4.384 50 30 HIEARN CC(C)c1c2c(N)c(C(=O)Nc3cccc4ncccc43)sc2nc(N)c1C#N ZINC000215673681 568788370 /nfs/dbraw/zinc/78/83/70/568788370.db2.gz AWBHJPXXKKYWHA-UHFFFAOYSA-N 0 0 402.483 4.256 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C#N)c1C ZINC000002765929 568807196 /nfs/dbraw/zinc/80/71/96/568807196.db2.gz MHWAMVKLTGEXJQ-UHFFFAOYSA-N 0 0 420.878 4.224 50 30 HIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3c(C)cccc3Cl)o2)cnn1C ZINC000002798387 568810802 /nfs/dbraw/zinc/81/08/02/568810802.db2.gz OGVRZTXNCQFAGB-BHGWPJFGSA-N 0 0 414.893 4.444 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S ZINC000001200997 568823829 /nfs/dbraw/zinc/82/38/29/568823829.db2.gz NASLGRREAVKNNT-FMIVXFBMSA-N 0 0 407.278 4.066 50 30 in-vitro HIEARN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N(C)Cc1ccccc1 ZINC000005869372 568827172 /nfs/dbraw/zinc/82/71/72/568827172.db2.gz ZHVZDURYMTZPBA-UHFFFAOYSA-N 0 0 422.554 4.102 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 ZINC000006003486 568834945 /nfs/dbraw/zinc/83/49/45/568834945.db2.gz JZWNWHVZDIOGEO-PXAZEXFGSA-N 0 0 411.527 4.234 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 ZINC000006005317 568835135 /nfs/dbraw/zinc/83/51/35/568835135.db2.gz JZWNWHVZDIOGEO-SJCJKPOMSA-N 0 0 411.527 4.234 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccc(Br)cc1 ZINC000003199700 568861292 /nfs/dbraw/zinc/86/12/92/568861292.db2.gz UPVQLCKYMRMSEC-QGZVFWFLSA-N 0 0 419.344 4.469 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2sc(C)c(C)c2c1=O ZINC000003317953 568879704 /nfs/dbraw/zinc/87/97/04/568879704.db2.gz VASHNTMCCQIDCM-DOMZBBRYSA-N 0 0 405.589 4.048 50 30 HIEARN COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)cc1OC ZINC000012637007 568883717 /nfs/dbraw/zinc/88/37/17/568883717.db2.gz MISIQKJSXUDDBF-JAIQZWGSSA-N 0 0 412.438 4.041 50 30 HIEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000003414226 568898695 /nfs/dbraw/zinc/89/86/95/568898695.db2.gz IFCJBKFIVGFJLE-UHFFFAOYSA-N 0 0 405.195 4.140 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2scc(-c3ccco3)c2c1=O ZINC000003416827 568899292 /nfs/dbraw/zinc/89/92/92/568899292.db2.gz UOBYMAFESCUMBQ-CYBMUJFWSA-N 0 0 417.556 4.157 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nc2sc(C)c(C)c2c1=O ZINC000003470685 568907826 /nfs/dbraw/zinc/90/78/26/568907826.db2.gz RHLJZYQQWQKFPY-AWEZNQCLSA-N 0 0 413.568 4.230 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000003516206 568911766 /nfs/dbraw/zinc/91/17/66/568911766.db2.gz XPWIMULDDMVFMA-CYBMUJFWSA-N 0 0 417.600 4.062 50 30 HIEARN COC(=O)CSc1nc(-c2ccc(Br)cc2)c2c(c1C#N)CCC2 ZINC000001384132 568922180 /nfs/dbraw/zinc/92/21/80/568922180.db2.gz SUDIJOOJLWSRAU-UHFFFAOYSA-N 0 0 403.301 4.137 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1OC ZINC000004004737 568933007 /nfs/dbraw/zinc/93/30/07/568933007.db2.gz IIAIKWXZCFLFCY-HXUWFJFHSA-N 0 0 405.454 4.084 50 30 HIEARN C#C[C@](C)(CC)NC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000001423079 568938493 /nfs/dbraw/zinc/93/84/93/568938493.db2.gz ZYAGXGRYTYEMNA-LJQANCHMSA-N 0 0 404.367 4.086 50 30 HIEARN CCOc1cc([C@H]2C3C(=O)CCCC3=Nc3nc(-c4cccs4)nn32)ccc1O ZINC000004106347 568943291 /nfs/dbraw/zinc/94/32/91/568943291.db2.gz MJGJBBKRIYFIKS-IBGZPJMESA-N 0 0 408.483 4.133 50 30 HIEARN C=CCN(C(=O)CCc1c(C)nc2ncnn2c1C)c1nc(-c2ccccc2)cs1 ZINC000012756952 568944232 /nfs/dbraw/zinc/94/42/32/568944232.db2.gz GGVDNIANKIDXPH-UHFFFAOYSA-N 0 0 418.526 4.016 50 30 HIEARN COc1ccc(CC(=O)Nc2cccc(C#Cc3ccccc3)c2)c(OC)c1OC ZINC000012768048 568949463 /nfs/dbraw/zinc/94/94/63/568949463.db2.gz GSMOVBXAYZISAM-UHFFFAOYSA-N 0 0 401.462 4.293 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(O)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000004279865 568958665 /nfs/dbraw/zinc/95/86/65/568958665.db2.gz HDSRFSOLCLKMIT-NRFANRHFSA-N 0 0 416.481 4.317 50 30 HIEARN C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1SCC(=O)NC1CCCCC1 ZINC000004671018 568963789 /nfs/dbraw/zinc/96/37/89/568963789.db2.gz ANBQHWSDGDPYLN-QGOAFFKASA-N 0 0 417.962 4.247 50 30 HIEARN C=CCOc1c(Cl)cc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OCC ZINC000004631925 568964086 /nfs/dbraw/zinc/96/40/86/568964086.db2.gz ZUZVIDYCSXTAQL-LDADJPATSA-N 0 0 412.898 4.074 50 30 HIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(Br)o1 ZINC000004998623 568964624 /nfs/dbraw/zinc/96/46/24/568964624.db2.gz KGZUHAORFWADQM-UHFFFAOYSA-N 0 0 402.248 4.229 50 30 HIEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\SC(=N)NC2=O)cc1OC ZINC000005102496 568964787 /nfs/dbraw/zinc/96/47/87/568964787.db2.gz IIMFTSYYXUJJAL-ZHZULCJRSA-N 0 0 410.495 4.020 50 30 HIEARN C=CCOc1ccc(/C=c2/sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000005833611 568965963 /nfs/dbraw/zinc/96/59/63/568965963.db2.gz MDFMHRVVHAVTQC-HMMYKYKNSA-N 0 0 417.534 4.228 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000007990964 568975992 /nfs/dbraw/zinc/97/59/92/568975992.db2.gz GWQDTMCGVTZEPC-KRWDZBQOSA-N 0 0 411.527 4.223 50 30 HIEARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1sccc1C#N ZINC000008156275 568977845 /nfs/dbraw/zinc/97/78/45/568977845.db2.gz ZSVLULBLCNCOAV-JTQLQIEISA-N 0 0 401.542 4.394 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccccc1F ZINC000008365515 568978565 /nfs/dbraw/zinc/97/85/65/568978565.db2.gz FUQYCGYAOAOEKG-CYBMUJFWSA-N 0 0 417.535 4.463 50 30 HIEARN CC1(C)C(=O)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCOCC1 ZINC000015729224 568979575 /nfs/dbraw/zinc/97/95/75/568979575.db2.gz MCUJBXKCHARLHB-HTAMCLIASA-N 0 0 421.585 4.128 50 30 HIEARN Cc1nc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C#N)c(C)c1C ZINC000008193889 568981994 /nfs/dbraw/zinc/98/19/94/568981994.db2.gz ZUDXMHBGYMUJLZ-IBGZPJMESA-N 0 0 423.538 4.106 50 30 HIEARN C=CCC1(CC=C)CCCN1C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000011934042 568992653 /nfs/dbraw/zinc/99/26/53/568992653.db2.gz OOVBYMGYZPLHKR-UHFFFAOYSA-N 0 0 404.436 4.472 50 30 HIEARN N#Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 ZINC000008332913 568993095 /nfs/dbraw/zinc/99/30/95/568993095.db2.gz BURIAJBEJHTDBB-UHFFFAOYSA-N 0 0 406.463 4.003 50 30 HIEARN CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)c2ccccc2OC)cc1 ZINC000012243203 568994243 /nfs/dbraw/zinc/99/42/43/568994243.db2.gz WRYOVUJPKGNYAO-UHFFFAOYSA-N 0 0 400.478 4.335 50 30 HIEARN C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000012789623 568996274 /nfs/dbraw/zinc/99/62/74/568996274.db2.gz FJUNKDSASVHVCC-UHFFFAOYSA-N 0 0 406.935 4.203 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccccc1 ZINC000013684428 569000533 /nfs/dbraw/zinc/00/05/33/569000533.db2.gz VBOOKPPNIPAALX-UHFFFAOYSA-N 0 0 424.522 4.385 50 30 HIEARN C#CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000013939689 569001103 /nfs/dbraw/zinc/00/11/03/569001103.db2.gz MGRSMAAWAVRUOE-MOSHPQCFSA-N 0 0 411.454 4.473 50 30 HIEARN C#CCN1C(=O)S/C(=C\c2cc(Br)c(OCC=C)c(OCC)c2)C1=O ZINC000013939664 569001244 /nfs/dbraw/zinc/00/12/44/569001244.db2.gz GDTVFZBCAMBEFH-PTNGSMBKSA-N 0 0 422.300 4.082 50 30 HIEARN C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 ZINC000014171974 569002006 /nfs/dbraw/zinc/00/20/06/569002006.db2.gz WHZWLKKPRNGVJQ-UHFFFAOYSA-N 0 0 410.882 4.374 50 30 HIEARN C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000014201066 569002023 /nfs/dbraw/zinc/00/20/23/569002023.db2.gz LDMXBXLPZCMUFU-SFHVURJKSA-N 0 0 413.930 4.158 50 30 HIEARN N#Cc1oc2ccccc2c1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000008429456 569002626 /nfs/dbraw/zinc/00/26/26/569002626.db2.gz YQWUWGUIYYXPNA-UHFFFAOYSA-N 0 0 415.478 4.493 50 30 HIEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S ZINC000015012490 569003930 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C=CCSc1nnc2c(n1)O[C@H](c1ccccn1)N(C(=O)CC)c1ccccc1-2 ZINC000002463707 569007416 /nfs/dbraw/zinc/00/74/16/569007416.db2.gz ZSPNRRADTKYJMX-HXUWFJFHSA-N 0 0 405.483 4.046 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000002448502 569007435 /nfs/dbraw/zinc/00/74/35/569007435.db2.gz JMIKEMJDTFHPBX-UHFFFAOYSA-N 0 0 408.527 4.391 50 30 HIEARN C=CCOc1ccccc1/C=C1/SC(N2CCN(Cc3ccccc3)CC2)=NC1=O ZINC000019866137 569018518 /nfs/dbraw/zinc/01/85/18/569018518.db2.gz SJUFHHHMFSIZPT-OQKWZONESA-N 0 0 419.550 4.040 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)nc2ncccc2c1=O ZINC000012886505 569019560 /nfs/dbraw/zinc/01/95/60/569019560.db2.gz TXLNQLNEJBXSID-AWEZNQCLSA-N 0 0 404.495 4.131 50 30 HIEARN N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000012922184 569023093 /nfs/dbraw/zinc/02/30/93/569023093.db2.gz BPPSKDHQKGGUCC-UHFFFAOYSA-N 0 0 423.516 4.137 50 30 HIEARN COc1ccc(-c2nc3ccccn3c2/N=C/c2ccc(OC)c(OC)c2)cc1O ZINC000015986763 569025307 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CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000004856957 132290800 /nfs/dbraw/zinc/29/08/00/132290800.db2.gz IREDVZHMAXTESP-JLHYYAGUSA-N 0 0 400.482 4.442 50 30 HIEARN CCc1ccc(N2C(=O)N(Cc3cccc(C#N)c3)c3ccccc3S2(=O)=O)cc1 ZINC000009664104 132342205 /nfs/dbraw/zinc/34/22/05/132342205.db2.gz HUKMBZSRFHMMAA-UHFFFAOYSA-N 0 0 417.490 4.456 50 30 HIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(OC)ccc2OC)cc1 ZINC000040286492 518331845 /nfs/dbraw/zinc/33/18/45/518331845.db2.gz KVXQPNJAXPABBF-GOSISDBHSA-N 0 0 403.438 4.025 50 30 HIEARN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000036026015 518458893 /nfs/dbraw/zinc/45/88/93/518458893.db2.gz SWQUZKURWYVPEZ-XSICDPOBSA-N 0 0 414.465 4.362 50 30 HIEARN C=CCN(C(=O)c1ccc(Cl)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000036003736 518738346 /nfs/dbraw/zinc/73/83/46/518738346.db2.gz ZJOUMFRKRUVSKT-HNNXBMFYSA-N 0 0 416.905 4.361 50 30 HIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 ZINC000024641323 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4.205 50 30 HIEARN C=CCn1c(SCCC23CC4CC(CC(C4)C2)C3)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000021999587 519234807 /nfs/dbraw/zinc/23/48/07/519234807.db2.gz IYZIYUYMZRVXML-QQABJKMWSA-N 0 0 421.632 4.065 50 30 HIEARN C=CCn1c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2sc1=O ZINC000046017726 519262885 /nfs/dbraw/zinc/26/28/85/519262885.db2.gz KZFQBDYTCKXLOV-UHFFFAOYSA-N 0 0 402.541 4.347 50 30 HIEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000001067262 519330458 /nfs/dbraw/zinc/33/04/58/519330458.db2.gz JADKDTLNJJVOSS-UHFFFAOYSA-N 0 0 417.336 4.078 50 30 HIEARN CC(C)CCNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032828723 519664626 /nfs/dbraw/zinc/66/46/26/519664626.db2.gz FSPVPPAHNCLINX-LJQANCHMSA-N 0 0 412.490 4.265 50 30 HIEARN CC(C)CCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032828726 519664689 /nfs/dbraw/zinc/66/46/89/519664689.db2.gz FSPVPPAHNCLINX-IBGZPJMESA-N 0 0 412.490 4.265 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC ZINC000101284996 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CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000008991114 521034359 /nfs/dbraw/zinc/03/43/59/521034359.db2.gz SRCBYUDSMFEUCT-HIPMGEKLSA-N 0 0 417.255 4.396 50 30 HIEARN CCOC(=O)[C@@H]1CSCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000031578637 521141873 /nfs/dbraw/zinc/14/18/73/521141873.db2.gz ZLPZGZKMQGHIKW-LBPRGKRZSA-N 0 0 411.738 4.215 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008740380 521268723 /nfs/dbraw/zinc/26/87/23/521268723.db2.gz ZJEQYAGIHWSUAS-FQEVSTJZSA-N 0 0 420.490 4.320 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCc1c(C)nn(C)c1C ZINC000032972460 521514211 /nfs/dbraw/zinc/51/42/11/521514211.db2.gz IIVKBTIKAPKCSH-UHFFFAOYSA-N 0 0 419.529 4.142 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccc(F)cc2)Nc2cccc(OC)c2)c(C)n1 ZINC000032972822 521650659 /nfs/dbraw/zinc/65/06/59/521650659.db2.gz KHDUNXSDDAHIGB-UHFFFAOYSA-N 0 0 423.492 4.147 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2cccc(F)c2)c(C)n1 ZINC000032973039 521650732 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Cc1sc(C2=C(N)N(C3CCCC3)CC2=O)nc1-c1ccc(Br)cc1 ZINC000034784700 526874537 /nfs/dbraw/zinc/87/45/37/526874537.db2.gz GXDWUZSQOLFKNQ-UHFFFAOYSA-N 0 0 418.360 4.336 50 30 HIEARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccccc3OC(F)F)C12 ZINC000009487551 527032507 /nfs/dbraw/zinc/03/25/07/527032507.db2.gz BRAIBTVNYINTEW-ODXCJYRJSA-N 0 0 424.407 4.001 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(C)c1)Nc1ccc(C)cc1C ZINC000032972466 527628689 /nfs/dbraw/zinc/62/86/89/527628689.db2.gz VFHBUMWNVPJJRY-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN COc1ccccc1N1CCN(/N=C\C(Br)=C\c2ccccc2)CC1 ZINC000005059001 537063185 /nfs/dbraw/zinc/06/31/85/537063185.db2.gz RKHCTWJGYKCZRD-BDUZCWTISA-N 0 0 400.320 4.239 50 30 HIEARN O=S(=O)(c1ccc(/N=C/c2ccc(Br)s2)cc1)N1CCCCC1 ZINC000000672183 557050006 /nfs/dbraw/zinc/05/00/06/557050006.db2.gz WPNGYBIYNFNRNA-LDADJPATSA-N 0 0 413.362 4.436 50 30 HIEARN COc1ccc(/C=N/n2c(COc3c(C)cccc3C)nc3ccccc3c2=O)cc1 ZINC000000716048 557067911 /nfs/dbraw/zinc/06/79/11/557067911.db2.gz 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Cc1ccc(C(=O)C2=C(N)OC3=C(C(=O)CCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002152333 557319878 /nfs/dbraw/zinc/31/98/78/557319878.db2.gz HOLJUVPQAJBKMU-IBGZPJMESA-N 0 0 404.422 4.077 50 30 HIEARN CCc1ccc(N=C2NC(=O)C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N2)cc1 ZINC000002360532 557340370 /nfs/dbraw/zinc/34/03/70/557340370.db2.gz QXYKOHIQMRCVCF-MRXNPFEDSA-N 0 0 404.392 4.212 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2OCCC(C)C)cc1 ZINC000003137180 557450316 /nfs/dbraw/zinc/45/03/16/557450316.db2.gz HWNGNWUTFKBVQL-FQEVSTJZSA-N 0 0 409.511 4.402 50 30 HIEARN CC(=O)c1ccc(NN=C2c3ccccc3C=C(C(=O)Nc3ccccc3)C2=O)cc1 ZINC000004368860 557547463 /nfs/dbraw/zinc/54/74/63/557547463.db2.gz MBKCKYCDJFMMND-NFFVHWSESA-N 0 0 409.445 4.310 50 30 HIEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000004541128 557565081 /nfs/dbraw/zinc/56/50/81/557565081.db2.gz SYIFRDFPEPSQCR-FQEVSTJZSA-N 0 0 405.406 4.216 50 30 HIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 ZINC000004632224 557574566 /nfs/dbraw/zinc/57/45/66/557574566.db2.gz MRVSGEBGDGSBOR-LJQANCHMSA-N 0 0 414.889 4.128 50 30 HIEARN CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000004914206 557613265 /nfs/dbraw/zinc/61/32/65/557613265.db2.gz YCVFPGYTNBGJNI-HNAYVOBHSA-N 0 0 421.493 4.107 50 30 HIEARN CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004914369 557613437 /nfs/dbraw/zinc/61/34/37/557613437.db2.gz OYTZERAPCULBGO-OALUTQOASA-N 0 0 405.494 4.271 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000005027539 557627449 /nfs/dbraw/zinc/62/74/49/557627449.db2.gz OEEOWVHBBQDKLJ-BTYIYWSLSA-N 0 0 415.555 4.383 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000005045061 557629238 /nfs/dbraw/zinc/62/92/38/557629238.db2.gz OGARTQAJJDFFRI-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000005094951 557635415 /nfs/dbraw/zinc/63/54/15/557635415.db2.gz LCWGFOKKGFAUMH-HSZRJFAPSA-N 0 0 403.478 4.146 50 30 HIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)c1 ZINC000005445777 557654145 /nfs/dbraw/zinc/65/41/45/557654145.db2.gz GGSDOJJSONOJND-QFIPXVFZSA-N 0 0 415.445 4.487 50 30 HIEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005465721 557655448 /nfs/dbraw/zinc/65/54/48/557655448.db2.gz JIIDVOQIOVZSJL-OAQYLSRUSA-N 0 0 405.473 4.463 50 30 HIEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)cc1 ZINC000005791085 557674573 /nfs/dbraw/zinc/67/45/73/557674573.db2.gz RNWRHEMUFDZIDU-YBFXNURJSA-N 0 0 403.305 4.277 50 30 HIEARN Cn1ncc(/N=C/c2ccc3c(c2)c2ccccc2n3C)c1C(=O)NCc1ccco1 ZINC000002797893 557762164 /nfs/dbraw/zinc/76/21/64/557762164.db2.gz RESQYCPPYGBCHH-DHRITJCHSA-N 0 0 411.465 4.339 50 30 HIEARN CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I ZINC000008036052 557770809 /nfs/dbraw/zinc/77/08/09/557770809.db2.gz AAORACFZMYMFCG-UHFFFAOYSA-N 0 0 419.303 4.372 50 30 in-vivo HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000002981053 557776961 /nfs/dbraw/zinc/77/69/61/557776961.db2.gz OLZWTOPRHIZAJP-HXUWFJFHSA-N 0 0 415.555 4.202 50 30 HIEARN CC/C(Cl)=N/OC(=O)N(C)c1ccc([C@@](Cl)(C(=O)OC)C(F)(F)F)cc1 ZINC000008445342 557790120 /nfs/dbraw/zinc/79/01/20/557790120.db2.gz UOPSZVFZOUGCJU-WHJAWBAWSA-N 0 0 415.195 4.391 50 30 HIEARN CSc1nn(-c2ccccc2)cc1C(=N)NOC(=O)c1ccc(C(F)(F)F)cc1 ZINC000008648505 557798407 /nfs/dbraw/zinc/79/84/07/557798407.db2.gz LHXNEWPJTIMAIP-UHFFFAOYSA-N 0 0 420.416 4.090 50 30 HIEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000009484226 557844364 /nfs/dbraw/zinc/84/43/64/557844364.db2.gz DKGYYEKUBQAQCP-KSFYIVLOSA-N 0 0 403.486 4.133 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000019731271 558259620 /nfs/dbraw/zinc/25/96/20/558259620.db2.gz SDMMNAOPODVPPE-DEOSSOPVSA-N 0 0 416.521 4.464 50 30 HIEARN COc1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O ZINC000019771353 558280060 /nfs/dbraw/zinc/28/00/60/558280060.db2.gz UITQGBLFGUWVDH-LGUFXXKBSA-N 0 0 401.510 4.142 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1cccs1 ZINC000019848958 558295157 /nfs/dbraw/zinc/29/51/57/558295157.db2.gz DYYRAFZHYKLLMU-IVZQSRNASA-N 0 0 409.507 4.291 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 ZINC000004356648 558444931 /nfs/dbraw/zinc/44/49/31/558444931.db2.gz ILZKMASGTBRKAD-UHFFFAOYSA-N 0 0 408.502 4.366 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000012970162 558488694 /nfs/dbraw/zinc/48/86/94/558488694.db2.gz ASBNPVSCZNDJOW-JOCHJYFZSA-N 0 0 423.509 4.255 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccs3)ccc2O1 ZINC000013123439 558517851 /nfs/dbraw/zinc/51/78/51/558517851.db2.gz ILTGJUUOUMYSPI-RNODOKPDSA-N 0 0 421.474 4.443 50 30 HIEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)c1 ZINC000013424114 558532414 /nfs/dbraw/zinc/53/24/14/558532414.db2.gz KYYFEHBFBWWQJR-YQMDHOPXSA-N 0 0 415.490 4.205 50 30 HIEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(F)cc3)S2)c1 ZINC000013424115 558532484 /nfs/dbraw/zinc/53/24/84/558532484.db2.gz KYYFEHBFBWWQJR-GOTYSUTNSA-N 0 0 415.490 4.205 50 30 HIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(OC(F)(F)F)cc1 ZINC000013552682 558539548 /nfs/dbraw/zinc/53/95/48/558539548.db2.gz STSYHGIVJKIXGY-UHFFFAOYSA-N 0 0 417.412 4.425 50 30 HIEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)ccc1O ZINC000013682483 558567452 /nfs/dbraw/zinc/56/74/52/558567452.db2.gz XHIVTOGNOCFBAD-OYHNWAKOSA-N 0 0 418.449 4.361 50 30 HIEARN C=CCn1c(Cc2csc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3F)n2)n[nH]c1=S ZINC000069928865 558622085 /nfs/dbraw/zinc/62/20/85/558622085.db2.gz BTJCKODXXYNEDZ-ZIAGYGMSSA-N 0 0 415.519 4.055 50 30 HIEARN O=C(COc1ccccc1-c1ccccc1)Nc1nc(CN2CCOCC2)cs1 ZINC000014201932 558637189 /nfs/dbraw/zinc/63/71/89/558637189.db2.gz XIPZSEWZBFZUBP-UHFFFAOYSA-N 0 0 409.511 4.309 50 30 HIEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000032823461 558649090 /nfs/dbraw/zinc/64/90/90/558649090.db2.gz MNCJSBIFPCOREK-FQEVSTJZSA-N 0 0 407.420 4.247 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(OC)c2OC)C1=O ZINC000004548186 558665427 /nfs/dbraw/zinc/66/54/27/558665427.db2.gz TWYKTUFLLNLRLR-LGMDPLHJSA-N 0 0 411.479 4.247 50 30 HIEARN COc1cc(Br)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c1O ZINC000015016123 558701837 /nfs/dbraw/zinc/70/18/37/558701837.db2.gz QHBUGRIRUXCHFM-AUWJEWJLSA-N 0 0 423.263 4.194 50 30 HIEARN CCOc1ccc(S(=O)(=O)N=C(Nc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000015885066 558760882 /nfs/dbraw/zinc/76/08/82/558760882.db2.gz IWWVCIDAQFEGJT-UHFFFAOYSA-N 0 0 410.495 4.342 50 30 HIEARN COc1cc(/C=N\N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000016901501 558809034 /nfs/dbraw/zinc/80/90/34/558809034.db2.gz CAVGSXRKAZSBSQ-XHPQRKPJSA-N 0 0 401.510 4.430 50 30 HIEARN Cc1ccc(/N=C2\NC(=O)C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000018119249 558831461 /nfs/dbraw/zinc/83/14/61/558831461.db2.gz GWJXTROYXMNWOY-HNNXBMFYSA-N 0 0 407.417 4.262 50 30 HIEARN Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)o1 ZINC000013656136 558851053 /nfs/dbraw/zinc/85/10/53/558851053.db2.gz MJHGOWSQIWWFDP-GRSHGNNSSA-N 0 0 400.383 4.111 50 30 HIEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)s1 ZINC000013693030 558856218 /nfs/dbraw/zinc/85/62/18/558856218.db2.gz WRUGRQFLRVZWOI-SFHVURJKSA-N 0 0 423.469 4.073 50 30 HIEARN COc1cc(C#N)cc(Cl)c1OCC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000022142086 558862768 /nfs/dbraw/zinc/86/27/68/558862768.db2.gz WZHSTYSDPIRIIR-UHFFFAOYSA-N 0 0 401.875 4.346 50 30 HIEARN CCCCCCCOC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000097952945 558864944 /nfs/dbraw/zinc/86/49/44/558864944.db2.gz ACROZDUMOYOBBE-MRXNPFEDSA-N 0 0 410.518 4.473 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019624781 558946997 /nfs/dbraw/zinc/94/69/97/558946997.db2.gz JSYWIIHSOUQPJY-HSZRJFAPSA-N 0 0 416.521 4.472 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cccc(F)c1 ZINC000004736323 559035625 /nfs/dbraw/zinc/03/56/25/559035625.db2.gz MYUZDDZQAKPNIE-LBPRGKRZSA-N 0 0 403.508 4.154 50 30 HIEARN C=CCNc1nnc(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000011285409 559049158 /nfs/dbraw/zinc/04/91/58/559049158.db2.gz PXCXURGRBUOJJV-UHFFFAOYSA-N 0 0 410.373 4.009 50 30 HIEARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1 ZINC000004812084 559069314 /nfs/dbraw/zinc/06/93/14/559069314.db2.gz ASAOGVYYVSTGTP-ZHALLVOQSA-N 0 0 405.546 4.168 50 30 HIEARN CCOc1ccc(N2C(=O)C[C@@H](SC(=NC)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000100563741 559136554 /nfs/dbraw/zinc/13/65/54/559136554.db2.gz ZCVSDEWMRUNOQU-QGZVFWFLSA-N 0 0 417.918 4.011 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 ZINC000100992097 559142568 /nfs/dbraw/zinc/14/25/68/559142568.db2.gz VZGNSJRHINEFPF-OCLJWFPGSA-N 0 0 401.438 4.111 50 30 HIEARN C/C(=N\NC(=S)Nc1ccc(C)cc1)c1cc(Br)c([N+](=O)[O-])s1 ZINC000101347772 559146505 /nfs/dbraw/zinc/14/65/05/559146505.db2.gz UHEYBQJELSQRCZ-RQZCQDPDSA-N 0 0 413.322 4.438 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1cccc(Cl)c1 ZINC000102406953 559150249 /nfs/dbraw/zinc/15/02/49/559150249.db2.gz QJEMIEVQXUHCDI-OLRQPGBRSA-N 0 0 417.918 4.329 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000103459478 559155950 /nfs/dbraw/zinc/15/59/50/559155950.db2.gz XXIAUQLGBJCRQD-CULCSUMMSA-N 0 0 405.882 4.459 50 30 HIEARN O=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000004832308 559163978 /nfs/dbraw/zinc/16/39/78/559163978.db2.gz GGGYZBYUCARLCU-MNDPQUGUSA-N 0 0 409.692 4.379 50 30 HIEARN COc1ccc(NC(=O)c2ccc(N=NCc3ccccc3O)c([N+](=O)[O-])c2)cc1 ZINC000004837123 559166244 /nfs/dbraw/zinc/16/62/44/559166244.db2.gz XOPJFINNTXZDQE-LPYMAVHISA-N 0 0 406.398 4.007 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000100439845 559200844 /nfs/dbraw/zinc/20/08/44/559200844.db2.gz DZXYUBRZKZNJAO-NHFXJNLRSA-N 0 0 400.390 4.221 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004918179 559204507 /nfs/dbraw/zinc/20/45/07/559204507.db2.gz DADISLKVQLGBRZ-AUSIDOKSSA-N 0 0 410.466 4.032 50 30 HIEARN COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000005000349 559226428 /nfs/dbraw/zinc/22/64/28/559226428.db2.gz PLOMZTZFOFHYQY-UHFFFAOYSA-N 0 0 410.861 4.387 50 30 HIEARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(OC)cc21)Cc1ccco1 ZINC000005006206 559227203 /nfs/dbraw/zinc/22/72/03/559227203.db2.gz OJZKQLYGRMJTDC-UHFFFAOYSA-N 0 0 401.532 4.055 50 30 HIEARN C=CCn1c2ccccc2nc1SCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000005071493 559241460 /nfs/dbraw/zinc/24/14/60/559241460.db2.gz XLFZVFISVVRDJV-OAHLLOKOSA-N 0 0 406.511 4.078 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c3ccccc3[nH]c2c1=O ZINC000005106757 559245990 /nfs/dbraw/zinc/24/59/90/559245990.db2.gz KPNNGRIVGOXODW-UHFFFAOYSA-N 0 0 404.495 4.103 50 30 HIEARN CCOC(=O)C(=NNc1ccccc1)C(=O)CSc1ccc(Br)cc1 ZINC000252627809 559278581 /nfs/dbraw/zinc/27/85/81/559278581.db2.gz SBYWDPWIBSWQOA-UHFFFAOYSA-N 0 0 421.316 4.142 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)SC1=Nc1ccc(C(C)=O)cc1 ZINC000252625334 559278661 /nfs/dbraw/zinc/27/86/61/559278661.db2.gz QHPYMQHVYPHVNG-HXUWFJFHSA-N 0 0 421.522 4.344 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000019761735 559286643 /nfs/dbraw/zinc/28/66/43/559286643.db2.gz DYGNMEGRRAMJRY-JLTOFOAXSA-N 0 0 401.890 4.030 50 30 HIEARN CCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC ZINC000005268455 560558145 /nfs/dbraw/zinc/55/81/45/560558145.db2.gz BGMPWWUVWJHWQM-HXOBKFHXSA-N 0 0 416.481 4.101 50 30 HIEARN COc1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000005274937 560561495 /nfs/dbraw/zinc/56/14/95/560561495.db2.gz XOVPRNBDEZCAJQ-RCCKNPSSSA-N 0 0 405.475 4.124 50 30 HIEARN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5OC)CC4)[C@H]3C[C@@H]12 ZINC000061991172 560564714 /nfs/dbraw/zinc/56/47/14/560564714.db2.gz XPFOUNMBEZRCMG-WGFBCYIXSA-N 0 0 424.585 4.131 50 30 HIEARN COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3cccnc3)C4)C2=O)c1 ZINC000062001285 560565687 /nfs/dbraw/zinc/56/56/87/560565687.db2.gz OKLPLJIKGMEQAL-LSHDLFTRSA-N 0 0 414.461 4.367 50 30 HIEARN COc1ccc(-c2nc3c4c(ncn3n2)OC(C)=C(C(C)=O)[C@H]4c2ccccc2)cc1 ZINC000005350596 560568900 /nfs/dbraw/zinc/56/89/00/560568900.db2.gz YLSPLKWMPHORTD-HXUWFJFHSA-N 0 0 412.449 4.187 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000005347412 560570658 /nfs/dbraw/zinc/57/06/58/560570658.db2.gz AFOZXNDYVYLZIQ-LJQANCHMSA-N 0 0 410.433 4.028 50 30 HIEARN CCOc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3OC)NC2=O)cc1OC ZINC000005376540 560574876 /nfs/dbraw/zinc/57/48/76/560574876.db2.gz ZIZPAIBTFQCABS-ODLFYWEKSA-N 0 0 414.483 4.003 50 30 HIEARN CCOC(=O)[C@]1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C(C)(C)C)[C@H]1c1ccco1 ZINC000002258331 560585150 /nfs/dbraw/zinc/58/51/50/560585150.db2.gz HGRBKXLQZQPZDV-UGCAPWQASA-N 0 0 418.493 4.336 50 30 HIEARN COc1cccc(/C=C2\S/C(=N/C(C)=O)NC2=O)c1OCc1ccccc1Cl ZINC000005457932 560591662 /nfs/dbraw/zinc/59/16/62/560591662.db2.gz CMOPPRDAGIRDES-YVLHZVERSA-N 0 0 416.886 4.034 50 30 HIEARN COc1ccc(/C(=N\OC(=O)c2ccco2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526811 560605042 /nfs/dbraw/zinc/60/50/42/560605042.db2.gz YSKMMBKDDLGVEC-CRUADPGYSA-N 0 0 405.406 4.382 50 30 HIEARN COC(=O)c1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 ZINC000005529621 560605779 /nfs/dbraw/zinc/60/57/79/560605779.db2.gz FOMNLBOVNPCYDI-OQLLNIDSSA-N 0 0 406.385 4.384 50 30 HIEARN COc1ccc(Br)c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1 ZINC000005558492 560614391 /nfs/dbraw/zinc/61/43/91/560614391.db2.gz QMVLHHPEENWPED-OQLLNIDSSA-N 0 0 407.264 4.488 50 30 HIEARN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccs2)c1 ZINC000005617733 560630655 /nfs/dbraw/zinc/63/06/55/560630655.db2.gz DMTWVWTYYFYGKB-PXLXIMEGSA-N 0 0 413.524 4.011 50 30 HIEARN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N/O)[C@@H](Sc1ccccc1)CC2 ZINC000017903306 560730067 /nfs/dbraw/zinc/73/00/67/560730067.db2.gz IOEXOESFPUIGLA-IKBYJFNHSA-N 0 0 404.513 4.169 50 30 HIEARN Cc1cccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3F)C2=O)c1 ZINC000018157240 560780421 /nfs/dbraw/zinc/78/04/21/560780421.db2.gz YHCZRXJNUMBTDF-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccco3)C1)[C@H]2c1cccnc1 ZINC000018199753 560783807 /nfs/dbraw/zinc/78/38/07/560783807.db2.gz CWDCOANPEPCYPJ-HRAATJIYSA-N 0 0 424.460 4.112 50 30 HIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2)c1C#N ZINC000014776695 560784530 /nfs/dbraw/zinc/78/45/30/560784530.db2.gz WDTARIXTONYDRH-QGZVFWFLSA-N 0 0 409.486 4.041 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC ZINC000101284999 560790588 /nfs/dbraw/zinc/79/05/88/560790588.db2.gz DKRWOIWZZQTBBB-FQEVSTJZSA-N 0 0 414.506 4.098 50 30 HIEARN COc1cc2c(cc1OC)-c1cc(-c3ccc(SC)cc3)c(C#N)c(=N)n1CC2 ZINC000101344121 560793177 /nfs/dbraw/zinc/79/31/77/560793177.db2.gz KRMYQVPTLNHKFQ-UHFFFAOYSA-N 0 0 403.507 4.468 50 30 HIEARN CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102401941 560810682 /nfs/dbraw/zinc/81/06/82/560810682.db2.gz CWLIPUQOONQPCG-YUAKHZOXSA-N 0 0 411.523 4.472 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102504140 560812782 /nfs/dbraw/zinc/81/27/82/560812782.db2.gz WMANSRHNQFYKDJ-JBCNATCCSA-N 0 0 409.482 4.234 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102525802 560816198 /nfs/dbraw/zinc/81/61/98/560816198.db2.gz BJPUADXKLYEESL-JBCNATCCSA-N 0 0 403.434 4.219 50 30 HIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102804119 560826746 /nfs/dbraw/zinc/82/67/46/560826746.db2.gz JZOYRGCRCGTOCX-LFVOPCPISA-N 0 0 406.438 4.500 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102875518 560830559 /nfs/dbraw/zinc/83/05/59/560830559.db2.gz MDZRXUWIQNBOSD-YDJIHCHBSA-N 0 0 418.405 4.118 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000102934622 560835712 /nfs/dbraw/zinc/83/57/12/560835712.db2.gz SGSLKOUXOJGDOZ-MOBKVPTQSA-N 0 0 414.461 4.497 50 30 HIEARN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(F)cc1 ZINC000044859089 560897547 /nfs/dbraw/zinc/89/75/47/560897547.db2.gz DRQAYNYIQDSWOD-NRFANRHFSA-N 0 0 402.429 4.297 50 30 HIEARN CCOc1ccccc1NC(=NCc1ccncc1)NC(=O)c1ccc(C)c(F)c1 ZINC000045940026 568421656 /nfs/dbraw/zinc/42/16/56/568421656.db2.gz WUMGMXUJXVIQAZ-UHFFFAOYSA-N 0 0 406.461 4.135 50 30 HIEARN COc1cccc(C(=O)N/C(=N/c2ccc(F)c(Cl)c2)NCc2ccncc2)c1 ZINC000045940683 568421974 /nfs/dbraw/zinc/42/19/74/568421974.db2.gz INBZRAFKGFMTOZ-UHFFFAOYSA-N 0 0 412.852 4.090 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cc(Cl)ccc2C)c1 ZINC000046125294 568428407 /nfs/dbraw/zinc/42/84/07/568428407.db2.gz KFVHLLJBPWOVTD-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(Cl)cc2C)c1 ZINC000046126808 568428701 /nfs/dbraw/zinc/42/87/01/568428701.db2.gz YIFKFHQQLBJROU-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)ccc2OC)cc1 ZINC000046126571 568428702 /nfs/dbraw/zinc/42/87/02/568428702.db2.gz CPNCIMWETBCIKM-UHFFFAOYSA-N 0 0 418.497 4.195 50 30 HIEARN COc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NC[C@@H]2CCCO2)c1 ZINC000046129636 568429111 /nfs/dbraw/zinc/42/91/11/568429111.db2.gz KWQVSPZLSZUSIF-NRFANRHFSA-N 0 0 409.530 4.370 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(C)cc1)NC[C@@H]1CCCO1 ZINC000046129837 568429205 /nfs/dbraw/zinc/42/92/05/568429205.db2.gz ALMNCJRZLILCDH-KRWDZBQOSA-N 0 0 401.894 4.034 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@H]1CCCO1 ZINC000046129819 568429210 /nfs/dbraw/zinc/42/92/10/568429210.db2.gz VYWUKKDVJPZTGZ-CQSZACIVSA-N 0 0 423.847 4.004 50 30 HIEARN O=C(N=C(NC[C@H]1CCCO1)Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000046132019 568429521 /nfs/dbraw/zinc/42/95/21/568429521.db2.gz INXJITGIYKBXRJ-QGZVFWFLSA-N 0 0 409.383 4.221 50 30 HIEARN COc1ccc(N2C(=O)[C@@H](Oc3cccc(C#N)c3)[C@H]2c2cccc(OC)c2)cc1 ZINC000048324971 568438474 /nfs/dbraw/zinc/43/84/74/568438474.db2.gz IBWJODXSBJOKOW-PKTZIBPZSA-N 0 0 400.434 4.111 50 30 HIEARN N#CN=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000113481048 568451014 /nfs/dbraw/zinc/45/10/14/568451014.db2.gz AQCNGPUKCSXFSZ-CQSZACIVSA-N 0 0 419.293 4.308 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 ZINC000000650530 568457949 /nfs/dbraw/zinc/45/79/49/568457949.db2.gz FVYQFIAJFNDURQ-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN Cc1nc2ccccc2n1C[C@@H](O)Cn1c2ccc(C)cc2c2c1C(=NO)CCC2 ZINC000096024144 568470422 /nfs/dbraw/zinc/47/04/22/568470422.db2.gz JGLNEYZMCHAXFN-QGZVFWFLSA-N 0 0 402.498 4.184 50 30 aggregator HIEARN N#Cc1c2c(sc1NC(=O)[C@H]1CC(c3cccc(Br)c3)=NO1)CCC2 ZINC000000814978 568490016 /nfs/dbraw/zinc/49/00/16/568490016.db2.gz ORCWNBICSFJPCZ-OAHLLOKOSA-N 0 0 416.300 4.003 50 30 HIEARN C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000000816362 568495288 /nfs/dbraw/zinc/49/52/88/568495288.db2.gz GQBYQIPCIRFQDF-UHFFFAOYSA-N 0 0 421.526 4.231 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000020034482 568586458 /nfs/dbraw/zinc/58/64/58/568586458.db2.gz ZJRIDBLLOKSJBB-WQRHYEAKSA-N 0 0 409.463 4.267 50 30 HIEARN C#CCn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000002989318 568602586 /nfs/dbraw/zinc/60/25/86/568602586.db2.gz BMJHQKJEUZGXSU-UDWIEESQSA-N 0 0 417.446 4.419 50 30 HIEARN CCCCc1nc(OCC(=O)N(C)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000095476447 568630414 /nfs/dbraw/zinc/63/04/14/568630414.db2.gz UQHNRWHLUXNBHK-UHFFFAOYSA-N 0 0 407.514 4.189 50 30 HIEARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3Cc3c[nH]c(C#N)c3)cc2)c1 ZINC000095503989 568635068 /nfs/dbraw/zinc/63/50/68/568635068.db2.gz FJSFBRJNBXZQIT-QHCPKHFHSA-N 0 0 400.482 4.165 50 30 HIEARN CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)c2C1 ZINC000095995680 568678775 /nfs/dbraw/zinc/67/87/75/568678775.db2.gz LQNFQCXGMROICM-UHFFFAOYSA-N 0 0 409.433 4.102 50 30 HIEARN N#Cc1cccnc1OC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000096102868 568691446 /nfs/dbraw/zinc/69/14/46/568691446.db2.gz NURCVBRLEAGACQ-UHFFFAOYSA-N 0 0 409.917 4.488 50 30 HIEARN Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)o2)c1 ZINC000012418346 568718673 /nfs/dbraw/zinc/71/86/73/568718673.db2.gz FJVJYAFUWNCMDV-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCN3CCOCC3)n2)cc1 ZINC000096346774 568737913 /nfs/dbraw/zinc/73/79/13/568737913.db2.gz NMBBIMMENMHGOF-UHFFFAOYSA-N 0 0 423.460 4.072 50 30 HIEARN C=C1C[C@@H]2[C@H]3C=C(OC)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O ZINC000254379755 568756337 /nfs/dbraw/zinc/75/63/37/568756337.db2.gz WNAXMHYJJJYQJJ-AYQIXKHHSA-N 0 0 412.526 4.325 50 30 HIEARN O=[N+]([O-])c1ccc2c(c1)C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1-2 ZINC000254383351 568756339 /nfs/dbraw/zinc/75/63/39/568756339.db2.gz UAGMGELNJQFCNC-UHFFFAOYSA-N 0 0 405.326 4.256 50 30 HIEARN COc1cc(OC)c(OC)cc1CNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000025251880 568760529 /nfs/dbraw/zinc/76/05/29/568760529.db2.gz MGMJFHNGDJSBJC-UHFFFAOYSA-N 0 0 402.454 4.306 50 30 HIEARN CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(C#N)cc3)c2)SC1=S ZINC000001015990 568762974 /nfs/dbraw/zinc/76/29/74/568762974.db2.gz QSGPMRPJWMFVAA-ODLFYWEKSA-N 0 0 410.520 4.367 50 30 HIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nncn2Cc2ccco2)c1C#N ZINC000022239876 568765729 /nfs/dbraw/zinc/76/57/29/568765729.db2.gz GGQLPCGYORZIQL-UHFFFAOYSA-N 0 0 424.530 4.055 50 30 HIEARN C#C[C@@](C)(CC)NC(=O)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000001074426 568767012 /nfs/dbraw/zinc/76/70/12/568767012.db2.gz HQUMHWKLIOKEHT-KRWDZBQOSA-N 0 0 410.783 4.193 50 30 HIEARN CCc1c(C)sc(NC(=O)[C@H]2CC(c3cccc(Br)c3)=NO2)c1C#N ZINC000001126321 568770294 /nfs/dbraw/zinc/77/02/94/568770294.db2.gz WOQJITVNEOGPRZ-MRXNPFEDSA-N 0 0 418.316 4.385 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001102728 568771617 /nfs/dbraw/zinc/77/16/17/568771617.db2.gz LSOCVAWBDBXJPM-SFHVURJKSA-N 0 0 406.419 4.439 50 30 HIEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(Br)cc2F)c1C#N ZINC000001133304 568773251 /nfs/dbraw/zinc/77/32/51/568773251.db2.gz UNPRJOQWNCTHJL-UHFFFAOYSA-N 0 0 424.295 4.041 50 30 HIEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000002487002 568775261 /nfs/dbraw/zinc/77/52/61/568775261.db2.gz VHESZMBFMHWHBA-HXUWFJFHSA-N 0 0 414.527 4.101 50 30 HIEARN C=CCSc1nnc(N2C(=O)C[C@H](c3ccccc3F)C3=C2CCCC3=O)s1 ZINC000002504222 568777481 /nfs/dbraw/zinc/77/74/81/568777481.db2.gz RORUKYVCEFATDV-CYBMUJFWSA-N 0 0 415.515 4.483 50 30 HIEARN CCC(Nc1ccc(I)cc1)=C1C(=O)c2ccccc2C1=O ZINC000002562060 568783993 /nfs/dbraw/zinc/78/39/93/568783993.db2.gz DWDYGSJMGMYGMP-UHFFFAOYSA-N 0 0 403.219 4.446 50 30 HIEARN COc1ccccc1N(CCC#N)C(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000002639878 568793213 /nfs/dbraw/zinc/79/32/13/568793213.db2.gz DSWPFSQARYJZIO-UHFFFAOYSA-N 0 0 424.551 4.228 50 30 HIEARN Cc1c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000002881787 568814258 /nfs/dbraw/zinc/81/42/58/568814258.db2.gz RAYXPMZXJBQHHE-JTQLQIEISA-N 0 0 414.512 4.088 50 30 HIEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000082107518 568821837 /nfs/dbraw/zinc/82/18/37/568821837.db2.gz WUNPTFHCIPDKFI-UHFFFAOYSA-N 0 0 411.333 4.198 50 30 HIEARN N#Cc1ccc(COC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 ZINC000005861947 568826472 /nfs/dbraw/zinc/82/64/72/568826472.db2.gz WTTIURJKGSPFBQ-JOCHJYFZSA-N 0 0 415.449 4.193 50 30 HIEARN Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C#N)cc2)c1 ZINC000002953275 568829535 /nfs/dbraw/zinc/82/95/35/568829535.db2.gz KBVVLSHZYBZNLX-GNVQSUKOSA-N 0 0 424.460 4.293 50 30 HIEARN CCCCCCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1F ZINC000003020825 568840229 /nfs/dbraw/zinc/84/02/29/568840229.db2.gz VGZAWRLGZPXNMM-CALCHBBNSA-N 0 0 412.571 4.193 50 30 HIEARN C#CC(CC)(CC)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl ZINC000003431111 568859176 /nfs/dbraw/zinc/85/91/76/568859176.db2.gz HDVQFTRAWXZMKD-UHFFFAOYSA-N 0 0 418.946 4.087 50 30 HIEARN C=CCN(C(=O)CSC(=S)OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003304646 568877294 /nfs/dbraw/zinc/87/72/94/568877294.db2.gz MMNAYNSPGUASQN-UHFFFAOYSA-N 0 0 423.541 4.292 50 30 HIEARN Cc1ccc(OCCC(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000003351774 568885820 /nfs/dbraw/zinc/88/58/20/568885820.db2.gz WJOMQSHAYYONJB-HNNXBMFYSA-N 0 0 412.511 4.004 50 30 HIEARN C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(OC)cc1 ZINC000003390337 568893994 /nfs/dbraw/zinc/89/39/94/568893994.db2.gz JRJRAVLSRMCAJO-UHFFFAOYSA-N 0 0 420.538 4.211 50 30 HIEARN C=CCn1c(SC[C@@H]2COc3ccccc3O2)nc2sc(C)c(C)c2c1=O ZINC000003444644 568904298 /nfs/dbraw/zinc/90/42/98/568904298.db2.gz RAUSXDSUQNDTKS-AWEZNQCLSA-N 0 0 400.525 4.193 50 30 HIEARN Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2cc(Br)ccc21 ZINC000001250846 568908817 /nfs/dbraw/zinc/90/88/17/568908817.db2.gz RCNXUSFPJBLSJE-SSDVNMTOSA-N 0 0 408.255 4.208 50 30 HIEARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1 ZINC000001272689 568909975 /nfs/dbraw/zinc/90/99/75/568909975.db2.gz GKSBJQOHMBDJBB-VULFUBBASA-N 0 0 422.448 4.007 50 30 HIEARN C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000003592509 568918134 /nfs/dbraw/zinc/91/81/34/568918134.db2.gz DRLUYBMHXNXYOD-HUUCEWRRSA-N 0 0 404.967 4.381 50 30 HIEARN C#CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000072268251 568919556 /nfs/dbraw/zinc/91/95/56/568919556.db2.gz CWJODDXRVLRTDT-HSZRJFAPSA-N 0 0 404.510 4.002 50 30 HIEARN C=CCn1c(=O)c2nc(C(=O)N3CCCCCC3)cn2cc1-c1ccccc1Cl ZINC000072432167 568920565 /nfs/dbraw/zinc/92/05/65/568920565.db2.gz ABBGCYSOFPMOFS-UHFFFAOYSA-N 0 0 410.905 4.019 50 30 HIEARN CN(C(=O)C1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 ZINC000001390291 568924370 /nfs/dbraw/zinc/92/43/70/568924370.db2.gz GTOMKZSMLPJURD-UHFFFAOYSA-N 0 0 414.933 4.019 50 30 HIEARN COc1ccc(C(=O)O/N=C2\CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004085554 568940357 /nfs/dbraw/zinc/94/03/57/568940357.db2.gz CMBGPKUWBUDMMJ-AXNLMSORSA-N 0 0 413.386 4.382 50 30 HIEARN COc1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CCC3)OCO5)cc1 ZINC000004090690 568942263 /nfs/dbraw/zinc/94/22/63/568942263.db2.gz IPRPGYVIEJKXFL-IBGZPJMESA-N 0 0 401.462 4.427 50 30 biogenic HIEARN CC(=O)NN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1C ZINC000004109182 568943982 /nfs/dbraw/zinc/94/39/82/568943982.db2.gz UVPROFMQWDAPAP-KAXIZBKFSA-N 0 0 410.524 4.020 50 30 HIEARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000084409154 568948716 /nfs/dbraw/zinc/94/87/16/568948716.db2.gz TVVYYRLFUXNETF-LJQANCHMSA-N 0 0 417.431 4.019 50 30 HIEARN C=CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)N1CCCC1 ZINC000012773014 568952579 /nfs/dbraw/zinc/95/25/79/568952579.db2.gz PTAKYJQZWYTSNA-UHFFFAOYSA-N 0 0 411.552 4.026 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000004279866 568958728 /nfs/dbraw/zinc/95/87/28/568958728.db2.gz HDSRFSOLCLKMIT-OAQYLSRUSA-N 0 0 416.481 4.317 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1 ZINC000004296010 568959884 /nfs/dbraw/zinc/95/98/84/568959884.db2.gz OEVIWNDBSHKNFO-UHFFFAOYSA-N 0 0 407.543 4.236 50 30 HIEARN C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccc(OCCCC)cc1 ZINC000004755537 568964195 /nfs/dbraw/zinc/96/41/95/568964195.db2.gz RJCVTOLOYYCPNI-OQKWZONESA-N 0 0 409.482 4.374 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1F ZINC000004811100 568964272 /nfs/dbraw/zinc/96/42/72/568964272.db2.gz DGCIDCJGTCJSGJ-AWEZNQCLSA-N 0 0 412.490 4.398 50 30 HIEARN C=CCOc1c(Cl)cc([C@@H]2NC(=O)NC(CCC)=C2C(=O)OCC)cc1OCC ZINC000004810631 568964288 /nfs/dbraw/zinc/96/42/88/568964288.db2.gz UDDWCNMUKSLGHY-SFHVURJKSA-N 0 0 422.909 4.275 50 30 HIEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC000005063561 568964786 /nfs/dbraw/zinc/96/47/86/568964786.db2.gz ACVCXDKAHNLJMV-QGZVFWFLSA-N 0 0 420.538 4.239 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1F ZINC000005500100 568965305 /nfs/dbraw/zinc/96/53/05/568965305.db2.gz KTXAPWMNOWSUMJ-UHFFFAOYSA-N 0 0 412.490 4.221 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccc(OC)c1 ZINC000005500897 568965463 /nfs/dbraw/zinc/96/54/63/568965463.db2.gz WYKDQZCSJWQYLN-UHFFFAOYSA-N 0 0 416.453 4.149 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1OC ZINC000005478130 568965564 /nfs/dbraw/zinc/96/55/64/568965564.db2.gz SWXMQZNCVAUFAP-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@@H]1c1cccs1 ZINC000007991013 568976179 /nfs/dbraw/zinc/97/61/79/568976179.db2.gz WRZFIGASLPIXLQ-OAHLLOKOSA-N 0 0 417.556 4.284 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4cccs4)n3)sc2C1 ZINC000008273988 568986769 /nfs/dbraw/zinc/98/67/69/568986769.db2.gz IOGQTJARGFOXOF-JTQLQIEISA-N 0 0 415.569 4.322 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CN1CCC[C@@H]1c1ccc3c(c1)OCCCO3)CCC2 ZINC000008310441 568988727 /nfs/dbraw/zinc/98/87/27/568988727.db2.gz ZFJHOOGFRYIFOV-GOSISDBHSA-N 0 0 423.538 4.045 50 30 HIEARN C=CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1ccccc1OC ZINC000006077247 568993011 /nfs/dbraw/zinc/99/30/11/568993011.db2.gz OARKWPNOFWYLGQ-MRXNPFEDSA-N 0 0 420.538 4.210 50 30 HIEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccncc1 ZINC000006080265 568994031 /nfs/dbraw/zinc/99/40/31/568994031.db2.gz DCWIFGZOTZHSQS-NRFANRHFSA-N 0 0 411.417 4.001 50 30 HIEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccncc1 ZINC000006080263 568994158 /nfs/dbraw/zinc/99/41/58/568994158.db2.gz QVVBJAUZQRFVHO-NRFANRHFSA-N 0 0 411.417 4.001 50 30 HIEARN C=CCCC(=O)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012459169 568994892 /nfs/dbraw/zinc/99/48/92/568994892.db2.gz APSDJIWEHMGKCG-UHFFFAOYSA-N 0 0 404.938 4.348 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CC(=O)N[C@H](C)CCc3ccco3)c(=O)oc2c1 ZINC000013625669 569000357 /nfs/dbraw/zinc/00/03/57/569000357.db2.gz JQKSUBBJJSJRSR-MRXNPFEDSA-N 0 0 409.482 4.329 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1n[nH]c(-c3cccs3)n1)CCCCC2 ZINC000006101896 569002538 /nfs/dbraw/zinc/00/25/38/569002538.db2.gz NAYYVWVNLLXQJD-UHFFFAOYSA-N 0 0 415.569 4.466 50 30 HIEARN Cc1nnc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1-c1ccccc1 ZINC000006109175 569003492 /nfs/dbraw/zinc/00/34/92/569003492.db2.gz LLKGUHWGEQGSKA-UHFFFAOYSA-N 0 0 405.527 4.232 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1 ZINC000001274566 569006510 /nfs/dbraw/zinc/00/65/10/569006510.db2.gz RCVLGGAMDXEKII-UHFFFAOYSA-N 0 0 401.875 4.171 50 30 HIEARN O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 ZINC000001506011 569006782 /nfs/dbraw/zinc/00/67/82/569006782.db2.gz FTDSEZIAMKBRFG-ZKKFKWFVSA-N 0 0 413.860 4.090 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)OC)cc1)Nc1ccccc1-2 ZINC000002073796 569006945 /nfs/dbraw/zinc/00/69/45/569006945.db2.gz KPVFHZRVJRXXEF-GOSISDBHSA-N 0 0 406.467 4.106 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cccc(OC)c1 ZINC000002442462 569007361 /nfs/dbraw/zinc/00/73/61/569007361.db2.gz DJGLQJIGZRGOPG-UHFFFAOYSA-N 0 0 408.527 4.433 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(F)c1 ZINC000002450560 569007417 /nfs/dbraw/zinc/00/74/17/569007417.db2.gz NHOTVMSQZPUPAM-UHFFFAOYSA-N 0 0 412.490 4.221 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000002447236 569007471 /nfs/dbraw/zinc/00/74/71/569007471.db2.gz DVUUWABSSDMYKE-UHFFFAOYSA-N 0 0 416.453 4.052 50 30 HIEARN COc1cc2c(cc1OC)C(=O)/C(=C/c1cc3ccccc3n(CC(C)C)c1=O)C2 ZINC000085879634 569009842 /nfs/dbraw/zinc/00/98/42/569009842.db2.gz SFVRIELCDQYRLM-WOJGMQOQSA-N 0 0 403.478 4.497 50 30 HIEARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)c2ccc(C#N)cc2)c1C ZINC000015865601 569016719 /nfs/dbraw/zinc/01/67/19/569016719.db2.gz PQEBVVSQKZMHJV-UHFFFAOYSA-N 0 0 405.454 4.116 50 30 HIEARN C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1csc2c1CCCC2 ZINC000017082553 569016918 /nfs/dbraw/zinc/01/69/18/569016918.db2.gz CTLZQPCRLITJTE-UHFFFAOYSA-N 0 0 402.589 4.222 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000019222669 569017786 /nfs/dbraw/zinc/01/77/86/569017786.db2.gz PILOSSHEQNVMTL-JOCHJYFZSA-N 0 0 422.550 4.492 50 30 HIEARN N#Cc1cccc(NC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)c1 ZINC000006276519 569036742 /nfs/dbraw/zinc/03/67/42/569036742.db2.gz LWSQVHSRGZHYFE-UHFFFAOYSA-N 0 0 402.401 4.063 50 30 HIEARN C=CCn1c(C)cc(C(=O)COC(=O)c2csc(NCc3ccccc3)n2)c1C ZINC000006373462 569045303 /nfs/dbraw/zinc/04/53/03/569045303.db2.gz XKPNRBZWWJMSKO-UHFFFAOYSA-N 0 0 409.511 4.399 50 30 HIEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000006499320 569061425 /nfs/dbraw/zinc/06/14/25/569061425.db2.gz WZWZTOFQORFDPZ-NRFANRHFSA-N 0 0 419.433 4.075 50 30 HIEARN COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3ccncc3)nn21 ZINC000006508434 569061813 /nfs/dbraw/zinc/06/18/13/569061813.db2.gz NVWFSPMZDITINI-FQEVSTJZSA-N 0 0 401.470 4.007 50 30 HIEARN COc1ccc2c(c1)ncc(C#N)c2N1CCC(C(=O)Nc2cccc(C)c2)CC1 ZINC000064473658 569063819 /nfs/dbraw/zinc/06/38/19/569063819.db2.gz IDGTUDCXCXRPHX-UHFFFAOYSA-N 0 0 400.482 4.279 50 30 HIEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000064473768 569063868 /nfs/dbraw/zinc/06/38/68/569063868.db2.gz GDLAZZZKDSOJSP-UHFFFAOYSA-N 0 0 404.901 4.293 50 30 HIEARN CCOc1cc(CN=Nc2nc(-c3ccc(F)cc3)c(NC(C)=O)s2)ccc1O ZINC000006537530 569064422 /nfs/dbraw/zinc/06/44/22/569064422.db2.gz YGCFMVBMODJCJX-SSDVNMTOSA-N 0 0 414.462 4.458 50 30 HIEARN CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccncc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000006732572 569103588 /nfs/dbraw/zinc/10/35/88/569103588.db2.gz LLNAYGFRXFSNAQ-NRFANRHFSA-N 0 0 414.513 4.064 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000006813572 569136906 /nfs/dbraw/zinc/13/69/06/569136906.db2.gz TVJUWSBWUAFMJB-PKOBYXMFSA-N 0 0 415.848 4.236 50 30 HIEARN COC(=O)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1 ZINC000006819514 569139233 /nfs/dbraw/zinc/13/92/33/569139233.db2.gz XCUAMRSWBNLVNZ-WBVHZDCISA-N 0 0 409.869 4.131 50 30 HIEARN CC(C)[C@H](NC(=O)Cn1cc(C#N)c2ccccc21)c1ccc2c(c1)OCCCO2 ZINC000064987005 569145221 /nfs/dbraw/zinc/14/52/21/569145221.db2.gz XTOUXSDZTCJFAG-DEOSSOPVSA-N 0 0 403.482 4.188 50 30 HIEARN N#Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000169753410 569160595 /nfs/dbraw/zinc/16/05/95/569160595.db2.gz QJTKOCCWUWMVTC-IBGZPJMESA-N 0 0 405.889 4.001 50 30 HIEARN CCOCCCNC(Nc1ccc(C(=O)[O-])cc1)=[NH+]CC12CC3CC(CC(C3)C1)C2 ZINC000065304872 569220390 /nfs/dbraw/zinc/22/03/90/569220390.db2.gz XEWWRAOSQWHOGB-UHFFFAOYSA-N 0 0 413.562 4.385 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1OCC ZINC000065331568 569225851 /nfs/dbraw/zinc/22/58/51/569225851.db2.gz XNXJNIQGYPKTGY-IBGZPJMESA-N 0 0 401.466 4.066 50 30 HIEARN Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)n1 ZINC000007183034 569227777 /nfs/dbraw/zinc/22/77/77/569227777.db2.gz LEIUPDGUSBGWJU-ZDUSSCGKSA-N 0 0 401.542 4.324 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cc(OC)cc(OC)c1 ZINC000170618961 569248172 /nfs/dbraw/zinc/24/81/72/569248172.db2.gz ITUJWNKISUIQGX-REWPJTCUSA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1c(NC(=O)CN2C(=O)CSc3ccccc32)sc2c1CCCCCC2 ZINC000089865579 569267407 /nfs/dbraw/zinc/26/74/07/569267407.db2.gz ATMBKUDSXCRVHD-UHFFFAOYSA-N 0 0 411.552 4.356 50 30 HIEARN Cc1c(C#N)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C(=O)OC(C)C ZINC000002082487 569277935 /nfs/dbraw/zinc/27/79/35/569277935.db2.gz PBVSWYLPQCWQNF-UHFFFAOYSA-N 0 0 407.835 4.307 50 30 HIEARN COc1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1OC ZINC000252429381 569285340 /nfs/dbraw/zinc/28/53/40/569285340.db2.gz IYDBMPBYOUDBSS-UHFFFAOYSA-N 0 0 413.521 4.425 50 30 HIEARN CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 ZINC000007605296 569295161 /nfs/dbraw/zinc/29/51/61/569295161.db2.gz GCRIKWRAMRFDIZ-NSHDSACASA-N 0 0 404.561 4.447 50 30 HIEARN CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000252595344 569296393 /nfs/dbraw/zinc/29/63/93/569296393.db2.gz BZTKWQNOXFVQLW-UHFFFAOYSA-N 0 0 403.301 4.305 50 30 HIEARN COc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(C)c(Cl)c3)S2)cc1 ZINC000252601889 569297011 /nfs/dbraw/zinc/29/70/11/569297011.db2.gz FDHVPWGXQWGQEY-QGZVFWFLSA-N 0 0 417.918 4.247 50 30 HIEARN COC(=O)c1ccc(C=Nc2c(-c3ccc(O)c(OC)c3)nc3ccccn32)cc1 ZINC000252603132 569297230 /nfs/dbraw/zinc/29/72/30/569297230.db2.gz FNWFESUDVJRUTP-UHFFFAOYSA-N 0 0 401.422 4.253 50 30 HIEARN COc1ccc2c(c1)c(CC(=O)O[C@H](C)C#N)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000007655036 569299285 /nfs/dbraw/zinc/29/92/85/569299285.db2.gz LXYOIJMCCOEKMP-CYBMUJFWSA-N 0 0 410.857 4.298 50 30 HIEARN COc1ccc(C(=O)Oc2ccc(C=NNc3ccccc3)cc2OC)cc1OC ZINC000252615152 569301282 /nfs/dbraw/zinc/30/12/82/569301282.db2.gz JPTUFZFKUKUANC-UHFFFAOYSA-N 0 0 406.438 4.378 50 30 HIEARN CCOCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OCC)cc1 ZINC000066091530 569314514 /nfs/dbraw/zinc/31/45/14/569314514.db2.gz YGZWJRJWARSQSN-OAQYLSRUSA-N 0 0 409.482 4.090 50 30 HIEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)c1 ZINC000000662156 569383967 /nfs/dbraw/zinc/38/39/67/569383967.db2.gz UUMXHJGXCJCPNA-UHFFFAOYSA-N 0 0 403.507 4.080 50 30 aggregator HIEARN Cc1cccc(/C=N/n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002370478 569388845 /nfs/dbraw/zinc/38/88/45/569388845.db2.gz FBMYSHMKAUWEIX-MZJWZYIUSA-N 0 0 414.513 4.133 50 30 HIEARN C=CCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1nc(-c2ccccc2)cs1 ZINC000007943117 569402372 /nfs/dbraw/zinc/40/23/72/569402372.db2.gz NDUSYHMKOQDXCY-UHFFFAOYSA-N 0 0 418.522 4.139 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CCC(=O)NCCc3ccc(O)cc3)c(=O)oc2c1 ZINC000012897062 569404789 /nfs/dbraw/zinc/40/47/89/569404789.db2.gz JQWUXIVBIBSOCG-UHFFFAOYSA-N 0 0 421.493 4.053 50 30 HIEARN Cc1c(C#N)c2nc3ccccc3n2c(NCCN2CCOCC2)c1CCC(C)C ZINC000019808490 569430462 /nfs/dbraw/zinc/43/04/62/569430462.db2.gz WTAQHTNJBFDKAK-UHFFFAOYSA-N 0 0 405.546 4.000 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCN2CC1 ZINC000008590751 571085359 /nfs/dbraw/zinc/08/53/59/571085359.db2.gz BCAFVZUSWHMWMG-UHFFFAOYSA-N 0 0 418.444 4.400 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl ZINC000008838268 571123330 /nfs/dbraw/zinc/12/33/30/571123330.db2.gz JYCWIIPBAILXSI-PXAZEXFGSA-N 0 0 403.887 4.159 50 30 HIEARN C=CCn1c(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)nnc1C1CC1 ZINC000040025725 571140237 /nfs/dbraw/zinc/14/02/37/571140237.db2.gz UWKNTKPXDXPZIM-UHFFFAOYSA-N 0 0 418.371 4.214 50 30 HIEARN N#Cc1ccc(CN(CC(=O)NCCc2ccc(F)cc2)Cc2cccc(F)c2)cc1 ZINC000040158291 571204655 /nfs/dbraw/zinc/20/46/55/571204655.db2.gz XBVNJOVQHBEYFM-UHFFFAOYSA-N 0 0 419.475 4.198 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1OC ZINC000008991616 571207258 /nfs/dbraw/zinc/20/72/58/571207258.db2.gz ZWMXQRMLABGXJR-KSFYIVLOSA-N 0 0 417.465 4.353 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009019640 571211834 /nfs/dbraw/zinc/21/18/34/571211834.db2.gz YLXRWNZLMJFFAH-FQEVSTJZSA-N 0 0 418.405 4.275 50 30 HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(C)cc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 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Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3cccc4c3OCCCO4)c2)cc1 ZINC000084160452 852544989 /nfs/dbraw/zinc/54/49/89/852544989.db2.gz SUNQISGIRPLCBC-DHZHZOJOSA-N 0 0 423.490 4.091 50 30 HIEARN CCOc1c(Br)cc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1OC ZINC000096792762 852555115 /nfs/dbraw/zinc/55/51/15/852555115.db2.gz MPGGFOVTSQBRTQ-ALCCZGGFSA-N 0 0 407.260 4.467 50 30 HIEARN COc1cc(/C=C\C(=O)c2ccccc2-n2cccn2)cc(OC)c1OC(F)F ZINC000098008772 852650726 /nfs/dbraw/zinc/65/07/26/852650726.db2.gz ZFQZOORFSWFKEK-HJWRWDBZSA-N 0 0 400.381 4.387 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000104622626 852673236 /nfs/dbraw/zinc/67/32/36/852673236.db2.gz VTNSWHYSCHZPID-BYZGDSIHSA-N 0 0 406.438 4.032 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000105678008 852722111 /nfs/dbraw/zinc/72/21/11/852722111.db2.gz KUUHKHLMBBIGFH-YVQXSCEWSA-N 0 0 415.581 4.198 50 30 HIEARN Cc1c(Cl)cccc1N=C1SCCN1C(=O)CCc1nc(-c2ccco2)no1 ZINC000254291173 854209754 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CCOc1ccc(S(=O)(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1 ZINC000254708614 854213436 /nfs/dbraw/zinc/21/34/36/854213436.db2.gz PDAMNIUTSZXUOV-UHFFFAOYSA-N 0 0 409.511 4.166 50 30 HIEARN CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)-c1ccccc1C2 ZINC000254798421 854215303 /nfs/dbraw/zinc/21/53/03/854215303.db2.gz TWGDZOHJDZOWOK-UHFFFAOYSA-N 0 0 421.478 4.177 50 30 HIEARN O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1Sc1ncccn1 ZINC000254856942 854215817 /nfs/dbraw/zinc/21/58/17/854215817.db2.gz YIGWCGWXSMLKRU-UHFFFAOYSA-N 0 0 420.376 4.396 50 30 HIEARN Cc1ccc(N=C2SCCCN2C(=O)[C@@H]2COc3ccccc3O2)cc1Cl ZINC000254876319 854216229 /nfs/dbraw/zinc/21/62/29/854216229.db2.gz HUIACRKRWLGKDP-SFHVURJKSA-N 0 0 402.903 4.441 50 30 HIEARN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002402864 132254091 /nfs/dbraw/zinc/25/40/91/132254091.db2.gz MFBZVPISLMZKPT-UHFFFAOYSA-N 0 0 409.833 4.101 50 30 HIEARN N#Cc1cccc(CN2C(=O)N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000021658150 132472861 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403.482 4.282 50 30 HIEARN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cc1 ZINC000040121812 518743340 /nfs/dbraw/zinc/74/33/40/518743340.db2.gz NTEXEMNOIHWQCH-GFCCVEGCSA-N 0 0 413.952 4.091 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000007780944 518798263 /nfs/dbraw/zinc/79/82/63/518798263.db2.gz VIDMOVUEYNAKRV-QGZVFWFLSA-N 0 0 407.470 4.036 50 30 HIEARN C=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21 ZINC000020731364 518844585 /nfs/dbraw/zinc/84/45/85/518844585.db2.gz SWQZHKMAKXOPDQ-QFIPXVFZSA-N 0 0 404.857 4.336 50 30 HIEARN C=CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 ZINC000032095579 518848774 /nfs/dbraw/zinc/84/87/74/518848774.db2.gz OTPKJODNXHPNLO-HSZRJFAPSA-N 0 0 418.884 4.395 50 30 HIEARN C=CCN1CCN(c2nn3c(nc(-c4cccc(C)c4)c3NC3CCCC3)s2)CC1 ZINC000021708647 518867337 /nfs/dbraw/zinc/86/73/37/518867337.db2.gz REWJZSGQLQABHI-UHFFFAOYSA-N 0 0 422.602 4.429 50 30 HIEARN C=CCN1c2ccc(C(=O)NCc3ccccc3C)cc2-c2ccccc2S1(=O)=O 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4.498 50 30 HIEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC ZINC000008917247 519049343 /nfs/dbraw/zinc/04/93/43/519049343.db2.gz QGRITAWZXTZONB-NRFANRHFSA-N 0 0 405.450 4.322 50 30 HIEARN C=CCc1ccc(OCC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c(OC)c1 ZINC000040134794 519134188 /nfs/dbraw/zinc/13/41/88/519134188.db2.gz WOKGLGMQVCYIKI-VWLOTQADSA-N 0 0 402.494 4.446 50 30 HIEARN C=CCc1ccc(OCC(=O)N(CC(F)(F)F)c2nc(C)cs2)c(OC)c1 ZINC000040157894 519134550 /nfs/dbraw/zinc/13/45/50/519134550.db2.gz AJGAHYRKTKCEKQ-UHFFFAOYSA-N 0 0 400.422 4.163 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2ccc(I)cc2)c(OC)c1 ZINC000014862758 519136395 /nfs/dbraw/zinc/13/63/95/519136395.db2.gz KSFPEOUCAGIHKY-UHFFFAOYSA-N 0 0 423.250 4.046 50 30 HIEARN CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)C#N ZINC000012379259 519760107 /nfs/dbraw/zinc/76/01/07/519760107.db2.gz DZRQZSALJWHWRV-RTBURBONSA-N 0 0 417.362 4.435 50 30 HIEARN CC(C)c1csc(CCN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)n1 ZINC000218474728 519853163 /nfs/dbraw/zinc/85/31/63/519853163.db2.gz XKDKASBQRCAVOG-UHFFFAOYSA-N 0 0 410.568 4.145 50 30 HIEARN CCCNc1c2ccccc2oc(=O)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000028048999 520127447 /nfs/dbraw/zinc/12/74/47/520127447.db2.gz URPREMMUDTYHTO-HNNXBMFYSA-N 0 0 405.454 4.256 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)O[C@]1(O)CC(C)(C)CC(=O)[C@H]1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000107172649 520270297 /nfs/dbraw/zinc/27/02/97/520270297.db2.gz GORMMYWRNUWTJI-GREBRCKQSA-N 0 0 413.470 4.046 50 30 HIEARN CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)c1csc(Nc2ccccc2)n1 ZINC000006996203 520395634 /nfs/dbraw/zinc/39/56/34/520395634.db2.gz UICDDFRTLTUCCN-PLRJNAJWSA-N 0 0 408.483 4.469 50 30 HIEARN CCOC(=O)C=C(NNc1cc(OCCOC)c(Cl)cc1Cl)C(F)(F)F ZINC000012338641 520432411 /nfs/dbraw/zinc/43/24/11/520432411.db2.gz LAYXYJLILCMGAR-LPYMAVHISA-N 0 0 417.211 4.302 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)ccc1OC ZINC000007141314 520618795 /nfs/dbraw/zinc/61/87/95/520618795.db2.gz UDJHYVORQRDRKH-RIYZIHGNSA-N 0 0 417.527 4.021 50 30 HIEARN CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N)cc1 ZINC000020028927 520802783 /nfs/dbraw/zinc/80/27/83/520802783.db2.gz ZAJMXCAEWFSNPA-UHFFFAOYSA-N 0 0 414.490 4.448 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCc2c(C)nn(C)c2C)cc1 ZINC000032972687 521029807 /nfs/dbraw/zinc/02/98/07/521029807.db2.gz JCTPROPMUGSTCT-UHFFFAOYSA-N 0 0 419.529 4.142 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102803983 521233233 /nfs/dbraw/zinc/23/32/33/521233233.db2.gz JPRMYPJEXJHNAY-YDJIHCHBSA-N 0 0 420.490 4.164 50 30 HIEARN CCOC(=O)c1c(C)c(C#N)sc1NC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000040488476 521384480 /nfs/dbraw/zinc/38/44/80/521384480.db2.gz NUJSVDZTOKRAKA-UHFFFAOYSA-N 0 0 404.316 4.053 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2cccc(N(C)C)c2)Nc2ccccc2)c(C)n1 ZINC000032972747 521650557 /nfs/dbraw/zinc/65/05/57/521650557.db2.gz JRHUSUGSDBGRCL-UHFFFAOYSA-N 0 0 418.545 4.066 50 30 HIEARN CCNC(=O)COc1ccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cc1OC ZINC000032803695 521738517 /nfs/dbraw/zinc/73/85/17/521738517.db2.gz PETIEUUCSGFRPB-XNTDXEJSSA-N 0 0 422.456 4.043 50 30 HIEARN COc1cc(/C=C/C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)ccc1OCC#N ZINC000036759428 521931976 /nfs/dbraw/zinc/93/19/76/521931976.db2.gz KFVDGVWELBQPSK-WEVVVXLNSA-N 0 0 419.403 4.334 50 30 HIEARN COc1cc(/C=C\C(=O)Nc2ccc(Br)c(C)c2)ccc1OCC#N ZINC000033470188 521979602 /nfs/dbraw/zinc/97/96/02/521979602.db2.gz CVQNEAPMBLZMQL-YWEYNIOJSA-N 0 0 401.260 4.320 50 30 HIEARN COc1cc(/C=C\C(=O)c2ccc(I)cc2)ccc1OCC#N ZINC000033474359 521982162 /nfs/dbraw/zinc/98/21/62/521982162.db2.gz XFURDEOHYQGTOH-WAPJZHGLSA-N 0 0 419.218 4.098 50 30 HIEARN COc1cc(C=Nn2cn[nH]c2=S)cc(Br)c1OCc1ccccc1 ZINC000000935723 522001660 /nfs/dbraw/zinc/00/16/60/522001660.db2.gz WHRYCRVMUFKRMH-AWQFTUOYSA-N 0 0 419.304 4.173 50 30 HIEARN COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000032930978 522042811 /nfs/dbraw/zinc/04/28/11/522042811.db2.gz XPPAFEWISYQKNY-CQSZACIVSA-N 0 0 417.303 4.366 50 30 HIEARN CN(C)c1nc(N=NCc2ccccc2C(F)(F)F)nc(Nc2ccc(F)cc2)n1 ZINC000006878735 522327052 /nfs/dbraw/zinc/32/70/52/522327052.db2.gz UISOVOVWJPXLIN-BHGWPJFGSA-N 0 0 419.386 4.285 50 30 HIEARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1SCC#N ZINC000035982300 522518312 /nfs/dbraw/zinc/51/83/12/522518312.db2.gz LBQXZQBBDPGDNC-UHFFFAOYSA-N 0 0 407.417 4.032 50 30 HIEARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2cccs2)C1=O ZINC000001011194 522867749 /nfs/dbraw/zinc/86/77/49/522867749.db2.gz SJKRVHHOTMYYNH-GDNBJRDFSA-N 0 0 404.285 4.388 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019314698 522877322 /nfs/dbraw/zinc/87/73/22/522877322.db2.gz AUSYSTQKLQJNMU-HSZRJFAPSA-N 0 0 403.478 4.407 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1Cl ZINC000001032300 522879090 /nfs/dbraw/zinc/87/90/90/522879090.db2.gz PHZYKEDYNNVSJT-IBGZPJMESA-N 0 0 402.922 4.183 50 30 HIEARN COC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)SC(=Cc2ccccn2)C1=O ZINC000036257490 522895420 /nfs/dbraw/zinc/89/54/20/522895420.db2.gz SPVUHKOGZVYKPY-GXDHUFHOSA-N 0 0 406.385 4.254 50 30 HIEARN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(O)cc2)ccc1O ZINC000033321139 522959131 /nfs/dbraw/zinc/95/91/31/522959131.db2.gz QMVVDKUPFZXUJF-IVZQSRNASA-N 0 0 418.449 4.361 50 30 HIEARN COc1ccc(/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC ZINC000031842131 523459018 /nfs/dbraw/zinc/45/90/18/523459018.db2.gz IBXKOIFVZYJQKG-JJFYIABZSA-N 0 0 407.451 4.380 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2c(C)nn(C)c2C)Nc2cccc(C)c2C)cc1 ZINC000032972742 523546494 /nfs/dbraw/zinc/54/64/94/523546494.db2.gz NPAXUHAKGMQKMD-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)cc2)Nc2ccccc2OC)c1C ZINC000032972228 523639426 /nfs/dbraw/zinc/63/94/26/523639426.db2.gz WQWLEIZIFQLPOS-UHFFFAOYSA-N 0 0 419.529 4.235 50 30 HIEARN CN1C(=CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)N[C@@H]2C=CC=C[C@H]21 ZINC000019595399 523671378 /nfs/dbraw/zinc/67/13/78/523671378.db2.gz VAFWWWKBPITWEN-SBSGUARVSA-N 0 0 406.493 4.415 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102799670 523789136 /nfs/dbraw/zinc/78/91/36/523789136.db2.gz QSJKYWMDOUAITG-JBCNATCCSA-N 0 0 423.509 4.061 50 30 HIEARN COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4/N=C/c2c[nH]c3ccccc23)cc1 ZINC000032069783 523883223 /nfs/dbraw/zinc/88/32/23/523883223.db2.gz QPOFDAVQHGWPDD-XODNFHPESA-N 0 0 414.553 4.320 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(C(F)(F)F)=Nc3ncnn32)c1 ZINC000036612264 524110847 /nfs/dbraw/zinc/11/08/47/524110847.db2.gz NJLYHJVMFAJLRY-MRXNPFEDSA-N 0 0 418.350 4.140 50 30 HIEARN COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C21 ZINC000040266952 524819618 /nfs/dbraw/zinc/81/96/18/524819618.db2.gz SCPWKMKQYHDSRG-ZUOKHONESA-N 0 0 406.417 4.197 50 30 HIEARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCc2ccccc2)C1 ZINC000239338701 525214426 /nfs/dbraw/zinc/21/44/26/525214426.db2.gz KZKWECNOANXDFR-GGPKGHCWSA-N 0 0 413.525 4.036 50 30 HIEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c(OC)c1OC ZINC000217606352 525237079 /nfs/dbraw/zinc/23/70/79/525237079.db2.gz SVBOAOVFVPFBLM-AWEZNQCLSA-N 0 0 410.422 4.022 50 30 HIEARN Cc1ccc(S(=O)(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000012587542 525579412 /nfs/dbraw/zinc/57/94/12/525579412.db2.gz VNEATGDAZZKPHM-UHFFFAOYSA-N 0 0 423.494 4.023 50 30 HIEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C1=O)cn2C ZINC000020649237 525596852 /nfs/dbraw/zinc/59/68/52/525596852.db2.gz LFPBFMIGOXINTN-FSJBWODESA-N 0 0 418.493 4.495 50 30 HIEARN C[C@@H](Sc1nncn1Cc1ccco1)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000022194024 526019114 /nfs/dbraw/zinc/01/91/14/526019114.db2.gz RPDJHGJNHPDNCB-RVZJCZPVSA-N 0 0 408.527 4.281 50 30 HIEARN Fc1cccc(Cl)c1/C=N\c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000020615569 526389345 /nfs/dbraw/zinc/38/93/45/526389345.db2.gz KJPFLZAHIXVTQX-IWIPYMOSSA-N 0 0 423.868 4.051 50 30 HIEARN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000032656974 526785585 /nfs/dbraw/zinc/78/55/85/526785585.db2.gz BDZPXMRVTYPHEG-IBGZPJMESA-N 0 0 416.481 4.216 50 30 HIEARN O=C1c2sccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1ccccc1F ZINC000020575605 527139027 /nfs/dbraw/zinc/13/90/27/527139027.db2.gz XLGBCOAQRVBNLI-PDGQHHTCSA-N 0 0 414.483 4.373 50 30 HIEARN O=C1c2sccc2N(Cc2ccccc2)S(=O)(=O)C1=CNC1CCCCCC1 ZINC000020575645 527139059 /nfs/dbraw/zinc/13/90/59/527139059.db2.gz BZGSEHXOXAPRNE-RGEXLXHISA-N 0 0 416.568 4.435 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(C)c(F)c1)Nc1ccc(C)cc1 ZINC000032973598 527622781 /nfs/dbraw/zinc/62/27/81/527622781.db2.gz PUIKBOGBGZLTLV-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(Cl)cc1)Nc1ccccc1C ZINC000032973519 527622824 /nfs/dbraw/zinc/62/28/24/527622824.db2.gz OSZQAEZACUDEMN-UHFFFAOYSA-N 0 0 423.948 4.439 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(F)c1)Nc1cc(C)cc(C)c1 ZINC000032973691 527623573 /nfs/dbraw/zinc/62/35/73/527623573.db2.gz XGBJNYJIHGZUDF-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccc(F)cc1 ZINC000032972407 527628267 /nfs/dbraw/zinc/62/82/67/527628267.db2.gz NGMZOMBKBMIYJI-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN C=CCn1c(COc2ccc(OC)cc2)nnc1S[C@H](C)C(=O)Nc1ccccc1 ZINC000009195667 557018029 /nfs/dbraw/zinc/01/80/29/557018029.db2.gz MRNIOJOJCJOLRT-MRXNPFEDSA-N 0 0 424.526 4.171 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000000626379 557022798 /nfs/dbraw/zinc/02/27/98/557022798.db2.gz GABKXHQVSHHAAE-LJQANCHMSA-N 0 0 417.889 4.236 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000757937 557076950 /nfs/dbraw/zinc/07/69/50/557076950.db2.gz ZMPGILGSMDMTDK-JTSKRJEESA-N 0 0 418.449 4.129 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1 ZINC000001152182 557212033 /nfs/dbraw/zinc/21/20/33/557212033.db2.gz MWBNJMBCCPNSTN-HJPURHCSSA-N 0 0 421.468 4.369 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001201720 557239779 /nfs/dbraw/zinc/23/97/79/557239779.db2.gz ZFTRXPQENLFWAQ-HTAPYJJXSA-N 0 0 418.449 4.129 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F ZINC000001204435 557240389 /nfs/dbraw/zinc/24/03/89/557240389.db2.gz XCMJYVYIWWZJRQ-HJPURHCSSA-N 0 0 421.468 4.369 50 30 HIEARN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2cc(Cl)ccc2Cl)S1 ZINC000001220219 557248030 /nfs/dbraw/zinc/24/80/30/557248030.db2.gz XQFQTFARWRCVCJ-PPAWOMOGSA-N 0 0 408.310 4.166 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F ZINC000001438558 557263253 /nfs/dbraw/zinc/26/32/53/557263253.db2.gz IMICYJXCLONDQP-IQMFZBJNSA-N 0 0 421.468 4.369 50 30 HIEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1OC ZINC000001473659 557269469 /nfs/dbraw/zinc/26/94/69/557269469.db2.gz XKSPHWBJOVYQFM-AWQFTUOYSA-N 0 0 409.298 4.440 50 30 HIEARN COc1ccccc1C(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccccc2)N1 ZINC000001817366 557290725 /nfs/dbraw/zinc/29/07/25/557290725.db2.gz XHPFVDKXNQLDKQ-NRFANRHFSA-N 0 0 423.476 4.328 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1 ZINC000002055286 557302397 /nfs/dbraw/zinc/30/23/97/557302397.db2.gz BLHKIUDKPDLLFR-GOSISDBHSA-N 0 0 404.304 4.370 50 30 HIEARN CCOC(=O)N[C@]1(C(F)(F)F)C(=O)N(c2ccc(C)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000002863668 557411017 /nfs/dbraw/zinc/41/10/17/557411017.db2.gz VMPPTVBGSWERLM-FQEVSTJZSA-N 0 0 424.419 4.032 50 30 HIEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc(Br)cn1 ZINC000003108162 557447563 /nfs/dbraw/zinc/44/75/63/557447563.db2.gz SRJSUFRSFKQTMG-AUEPDCJTSA-N 0 0 406.243 4.281 50 30 HIEARN CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003135583 557449976 /nfs/dbraw/zinc/44/99/76/557449976.db2.gz JKLAALGJUHHNEP-IBGZPJMESA-N 0 0 413.514 4.356 50 30 HIEARN CCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004060435 557508452 /nfs/dbraw/zinc/50/84/52/557508452.db2.gz 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COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1C ZINC000004631401 557574546 /nfs/dbraw/zinc/57/45/46/557574546.db2.gz DXTHVUIRMCTZTL-HSZRJFAPSA-N 0 0 419.525 4.266 50 30 HIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(SC)cc2)c1 ZINC000004914228 557613427 /nfs/dbraw/zinc/61/34/27/557613427.db2.gz NSNCAJATQHFLEJ-HNAYVOBHSA-N 0 0 423.534 4.430 50 30 HIEARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000004975921 557619499 /nfs/dbraw/zinc/61/94/99/557619499.db2.gz BWQGTTRTIQSVAH-LBPRGKRZSA-N 0 0 420.922 4.150 50 30 HIEARN COc1ccc(C(=O)C=CNc2ccccc2I)cc1OC ZINC000005046839 557629468 /nfs/dbraw/zinc/62/94/68/557629468.db2.gz NQRQVCIESOLXDN-MDZDMXLPSA-N 0 0 409.223 4.117 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000005578224 557663036 /nfs/dbraw/zinc/66/30/36/557663036.db2.gz APJDYQGFJNZSKG-JOCHJYFZSA-N 0 0 415.445 4.487 50 30 HIEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000005595916 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/nfs/dbraw/zinc/38/09/17/558380917.db2.gz VPMJMDJLLSSUCP-XMMPIXPASA-N 0 0 419.525 4.058 50 30 HIEARN CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 ZINC000004339875 558426559 /nfs/dbraw/zinc/42/65/59/558426559.db2.gz ORFHGVNAFPIXFR-UHFFFAOYSA-N 0 0 412.530 4.268 50 30 HIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000012787452 558463455 /nfs/dbraw/zinc/46/34/55/558463455.db2.gz QZOROLVHCJNUMN-UHFFFAOYSA-N 0 0 422.558 4.195 50 30 HIEARN CCCc1cc(=O)[nH]c(NN=Cc2ccc(OCc3ccc(C)cc3)c(OCC)c2)n1 ZINC000004423988 558543856 /nfs/dbraw/zinc/54/38/56/558543856.db2.gz AWSHQSMOIRAHTL-MFKUBSTISA-N 0 0 420.513 4.455 50 30 HIEARN Cc1ccc(NC(=S)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000013682960 558567777 /nfs/dbraw/zinc/56/77/77/558567777.db2.gz HRFVMXKRYBXNOG-UHFFFAOYSA-N 0 0 403.573 4.068 50 30 HIEARN O=C1c2cccc(O)c2/C(=N/c2ccccc2)C=C1N1CCN(Cc2ccccc2)CC1 ZINC000013687975 558570550 /nfs/dbraw/zinc/57/05/50/558570550.db2.gz QEZVGERZYNRMKL-WEMUOSSPSA-N 0 0 423.516 4.411 50 30 HIEARN CCCC(=O)C1=C(c2ccc(Cl)cc2)N(C(=O)CCC)n2c(C)nnc2S1 ZINC000004518268 558642035 /nfs/dbraw/zinc/64/20/35/558642035.db2.gz TYGIIYOQVYRHNA-UHFFFAOYSA-N 0 0 404.923 4.348 50 30 HIEARN COc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1[N+](=O)[O-] ZINC000015016713 558702296 /nfs/dbraw/zinc/70/22/96/558702296.db2.gz PFVLQZUKSSMBPV-SXGWCWSVSA-N 0 0 403.847 4.457 50 30 HIEARN C=CCNC(=S)N/N=C/c1cn(CCOc2c(C)cccc2C)c2ccccc12 ZINC000004562328 558732421 /nfs/dbraw/zinc/73/24/21/558732421.db2.gz GJRAVHVHJXFLOR-MFKUBSTISA-N 0 0 406.555 4.321 50 30 HIEARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(C#N)c1C ZINC000004570308 558735329 /nfs/dbraw/zinc/73/53/29/558735329.db2.gz PUBWQFTWWWVIMW-CYBMUJFWSA-N 0 0 417.556 4.052 50 30 HIEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21 ZINC000015946099 558763492 /nfs/dbraw/zinc/76/34/92/558763492.db2.gz ZJODQMSKFATHEJ-HBRDYDSTSA-N 0 0 421.880 4.383 50 30 HIEARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000016172007 558775349 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COc1cccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000018129089 558831739 /nfs/dbraw/zinc/83/17/39/558831739.db2.gz RRQBLEWUDXDVIC-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccnc2)n1 ZINC000018208775 558833618 /nfs/dbraw/zinc/83/36/18/558833618.db2.gz BNVUUIZZMVDLSB-OAQYLSRUSA-N 0 0 402.498 4.028 50 30 HIEARN CCOc1cccc2cc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000004598230 558834119 /nfs/dbraw/zinc/83/41/19/558834119.db2.gz UMGUXXCIZKJAMN-MDZDMXLPSA-N 0 0 410.422 4.114 50 30 HIEARN O=C1CCCC2=Nc3ncnn3[C@H](c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C12 ZINC000013555337 558843310 /nfs/dbraw/zinc/84/33/10/558843310.db2.gz AVYGLLBBZFRGMF-HXUWFJFHSA-N 0 0 421.388 4.140 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)cc1OC ZINC000013653793 558850849 /nfs/dbraw/zinc/85/08/49/558850849.db2.gz XJDVPTLSFIOCGR-VUZLNAKASA-N 0 0 409.482 4.400 50 30 HIEARN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 ZINC000013684104 558854602 /nfs/dbraw/zinc/85/46/02/558854602.db2.gz DFDRDTKEXWKCQD-IBGZPJMESA-N 0 0 424.453 4.069 50 30 HIEARN CCCCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)c(C)c2)n(C)c1=O ZINC000097954408 558865583 /nfs/dbraw/zinc/86/55/83/558865583.db2.gz FLZVFLTUOZDDFJ-UHFFFAOYSA-N 0 0 423.561 4.026 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(CC(C)(C)CC3=O)N2c2ccncc2)cc1OC ZINC000004623236 558885724 /nfs/dbraw/zinc/88/57/24/558885724.db2.gz GMXQXSULXZVLQV-QGZVFWFLSA-N 0 0 406.482 4.263 50 30 HIEARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2cccc(C#N)c2)cc1 ZINC000033141808 558893509 /nfs/dbraw/zinc/89/35/09/558893509.db2.gz XGSQNLZXBLTIRV-UHFFFAOYSA-N 0 0 411.508 4.006 50 30 HIEARN CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000004682586 558894462 /nfs/dbraw/zinc/89/44/62/558894462.db2.gz RFSSUBFEIRLKSA-WNEPPRNQSA-N 0 0 416.474 4.475 50 30 HIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC ZINC000004684721 558895292 /nfs/dbraw/zinc/89/52/92/558895292.db2.gz 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COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 ZINC000100623250 559137033 /nfs/dbraw/zinc/13/70/33/559137033.db2.gz XWELREAAZOGAJP-RCDICMHDSA-N 0 0 409.507 4.291 50 30 HIEARN O=c1c(C=[NH+]C[C@H]2CCCO2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000100700309 559137954 /nfs/dbraw/zinc/13/79/54/559137954.db2.gz WSIPWESFQQVGQE-BRABVMKYSA-N 0 0 404.495 4.040 50 30 HIEARN CCCC(=O)C1=C(Nc2ccc(Br)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100319535 559194167 /nfs/dbraw/zinc/19/41/67/559194167.db2.gz GITRQQJMIOVDNN-QGZVFWFLSA-N 0 0 422.319 4.273 50 30 HIEARN N#CCSc1nnc(COc2ccc(Br)cc2)n1-c1ccccc1 ZINC000004959815 559216946 /nfs/dbraw/zinc/21/69/46/559216946.db2.gz MSIBWUUCGZTVOS-UHFFFAOYSA-N 0 0 401.289 4.224 50 30 HIEARN C[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 ZINC000005094152 559244412 /nfs/dbraw/zinc/24/44/12/559244412.db2.gz OVHBEHWVZLGXJN-PKOBYXMFSA-N 0 0 400.482 4.217 50 30 HIEARN CCCCOc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc(OC)c3)S2)cc1 ZINC000005234001 560547953 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CCc1ccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)cc1 ZINC000045940356 568421811 /nfs/dbraw/zinc/42/18/11/568421811.db2.gz VSRBBRWRLXGUIN-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1cccc(C)c1)NCc1ccccn1 ZINC000046125569 568428470 /nfs/dbraw/zinc/42/84/70/568428470.db2.gz FAKOWEHGUGEHTB-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)c(C)c2)cc1 ZINC000046125541 568428511 /nfs/dbraw/zinc/42/85/11/568428511.db2.gz DCTWSUURIWNUJO-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2ccccn2)cc1Cl ZINC000046126180 568428593 /nfs/dbraw/zinc/42/85/93/568428593.db2.gz OXEJKDUQJBBELG-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2cccc(Cl)c2)NC[C@H]2CCCO2)cc1 ZINC000046128997 568429096 /nfs/dbraw/zinc/42/90/96/568429096.db2.gz NIDHKEPNKRSYMS-LJQANCHMSA-N 0 0 401.894 4.116 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(Cl)c2C)c1 ZINC000046129974 568429212 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406.873 4.138 50 30 HIEARN N#Cc1nc(/C=C/c2ccc(Cl)cc2)oc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000012418607 568719261 /nfs/dbraw/zinc/71/92/61/568719261.db2.gz UINLTBDFJKKMOS-DHZHZOJOSA-N 0 0 418.884 4.332 50 30 HIEARN CCOc1ccc(CC(=O)Nc2cc(OCC)c(OCC)cc2C#N)cc1OCC ZINC000000978055 568759983 /nfs/dbraw/zinc/75/99/83/568759983.db2.gz ATJSTIMYRKEWOR-UHFFFAOYSA-N 0 0 412.486 4.334 50 30 HIEARN COc1cc(-c2cc3c4ccccc4oc(=O)c3c(N)c2C#N)cc(OC)c1OC ZINC000001036540 568764102 /nfs/dbraw/zinc/76/41/02/568764102.db2.gz CPXZKPGXAQOJAH-UHFFFAOYSA-N 0 0 402.406 4.093 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 ZINC000002620037 568787029 /nfs/dbraw/zinc/78/70/29/568787029.db2.gz YOWKBAKKLACVMZ-JOCHJYFZSA-N 0 0 411.575 4.462 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002640918 568793644 /nfs/dbraw/zinc/79/36/44/568793644.db2.gz LQUCZXVEIOODCD-HXUWFJFHSA-N 0 0 411.556 4.142 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCC2 ZINC000005981184 568834284 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C=CCn1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1ccccc1OC ZINC000006076847 568992886 /nfs/dbraw/zinc/99/28/86/568992886.db2.gz HXENPOBQESGYAJ-MRXNPFEDSA-N 0 0 420.538 4.210 50 30 HIEARN C=CCn1c(C2CC2)nn(CN2CCc3cc(OCC)c(OCC)cc3C2)c1=S ZINC000014184718 569002134 /nfs/dbraw/zinc/00/21/34/569002134.db2.gz MWGNFFQUPLXCQG-UHFFFAOYSA-N 0 0 414.575 4.291 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nc2cc(-c3ccccc3)sc2c1=O ZINC000014199222 569002160 /nfs/dbraw/zinc/00/21/60/569002160.db2.gz LEUVVAAKEWPYHX-ZDUSSCGKSA-N 0 0 411.552 4.070 50 30 HIEARN C=C(Cl)CSc1nnc([C@@H](Cc2ccccc2)NC(=O)c2cccs2)n1C ZINC000014995502 569004050 /nfs/dbraw/zinc/00/40/50/569004050.db2.gz MGJKKOSBQOWALT-OAHLLOKOSA-N 0 0 418.975 4.435 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 ZINC000006111587 569004769 /nfs/dbraw/zinc/00/47/69/569004769.db2.gz QGMGCYADBPDYSM-ZDUSSCGKSA-N 0 0 417.600 4.062 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(F)cc1 ZINC000001125510 569006426 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C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(CCO)cc3)c(=O)oc2c1C ZINC000008764855 569031933 /nfs/dbraw/zinc/03/19/33/569031933.db2.gz OVAZEVYAEDCTKP-UHFFFAOYSA-N 0 0 421.493 4.081 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000006238867 569034338 /nfs/dbraw/zinc/03/43/38/569034338.db2.gz VOCFVRBLZNVIPP-SFHVURJKSA-N 0 0 403.837 4.094 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000006239012 569034365 /nfs/dbraw/zinc/03/43/65/569034365.db2.gz QAKMZGWIYFYAMO-KRWDZBQOSA-N 0 0 406.265 4.218 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006263285 569036002 /nfs/dbraw/zinc/03/60/02/569036002.db2.gz FTKMHSZGGQWSMI-NRFANRHFSA-N 0 0 409.482 4.043 50 30 HIEARN CCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1C1CC1 ZINC000006400193 569046743 /nfs/dbraw/zinc/04/67/43/569046743.db2.gz MRIHKJFKUYBNAT-UHFFFAOYSA-N 0 0 401.561 4.108 50 30 HIEARN C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000006409142 569047077 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50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000006691008 569091336 /nfs/dbraw/zinc/09/13/36/569091336.db2.gz LTCVLKYFDVHJDL-QFIPXVFZSA-N 0 0 415.445 4.487 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000006720095 569097985 /nfs/dbraw/zinc/09/79/85/569097985.db2.gz UQWDJJVOHGGINJ-OAQYLSRUSA-N 0 0 419.433 4.075 50 30 HIEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)c1 ZINC000006728414 569102270 /nfs/dbraw/zinc/10/22/70/569102270.db2.gz FRQHDHWPBLIOGZ-OAQYLSRUSA-N 0 0 409.482 4.247 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl ZINC000006813688 569137242 /nfs/dbraw/zinc/13/72/42/569137242.db2.gz JYCWIIPBAILXSI-SJCJKPOMSA-N 0 0 403.887 4.159 50 30 HIEARN N#Cc1c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)sc2c1CCCC2 ZINC000006880175 569165314 /nfs/dbraw/zinc/16/53/14/569165314.db2.gz ZAIFJFFBRUIDGX-SFHVURJKSA-N 0 0 423.538 4.045 50 30 HIEARN C=CCN(C(=O)c1ccccc1F)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000007037479 569209028 /nfs/dbraw/zinc/20/90/28/569209028.db2.gz KNLFUKYBFLAMBU-UHFFFAOYSA-N 0 0 416.499 4.186 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1 ZINC000036627651 569212160 /nfs/dbraw/zinc/21/21/60/569212160.db2.gz GXLAANVODDHDLN-INIZCTEOSA-N 0 0 424.526 4.417 50 30 HIEARN CCn1cnc2c1nc(N1CC[C@@H]3CCCC[C@H]3C1)nc2Nc1cccc(C#N)c1 ZINC000238900816 569227535 /nfs/dbraw/zinc/22/75/35/569227535.db2.gz KFKCBRWHDIUARN-ROUUACIJSA-N 0 0 401.518 4.478 50 30 HIEARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1sccc1C#N ZINC000007299153 569232570 /nfs/dbraw/zinc/23/25/70/569232570.db2.gz PMVVMDWDKGRIDA-NSHDSACASA-N 0 0 413.503 4.472 50 30 HIEARN COc1cccc2cc([C@H]3CC(c4cccc(C#N)c4)=NN3C(C)=O)c(Cl)nc21 ZINC000239619503 569235748 /nfs/dbraw/zinc/23/57/48/569235748.db2.gz BFBRYBJFUULORK-LJQANCHMSA-N 0 0 404.857 4.466 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@H]1c1cc(OC)cc(OC)c1 ZINC000170618960 569248225 /nfs/dbraw/zinc/24/82/25/569248225.db2.gz 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COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1ccco1 ZINC000017147653 569275676 /nfs/dbraw/zinc/27/56/76/569275676.db2.gz QTIXVPFSMICETH-NRFANRHFSA-N 0 0 403.434 4.375 50 30 HIEARN C=CCOc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OCC=C ZINC000002081099 569278457 /nfs/dbraw/zinc/27/84/57/569278457.db2.gz UVWHVFCSPRKBOE-LDADJPATSA-N 0 0 406.394 4.069 50 30 HIEARN CC(=O)Nc1ccc(C(C)=NOCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000252475280 569288123 /nfs/dbraw/zinc/28/81/23/569288123.db2.gz XMXYBFCHRLHDFD-INIZCTEOSA-N 0 0 403.482 4.416 50 30 HIEARN Cc1ccc(S(=O)(=O)NN=C2[C@H](C)CC[C@]3(O)[C@H](C)CC[C@@H](C(C)C)[C@H]23)cc1 ZINC000252516659 569292265 /nfs/dbraw/zinc/29/22/65/569292265.db2.gz VUGGHMZYUWKQCY-DSMCQNTQSA-N 0 0 406.592 4.109 50 30 HIEARN CCOC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCCc2ccccc21 ZINC000002205893 569296553 /nfs/dbraw/zinc/29/65/53/569296553.db2.gz WUNCAOPETINDQA-PYCFMQQDSA-N 0 0 402.292 4.190 50 30 HIEARN C#CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(C)C2=O)cc1OCC ZINC000252600222 569296661 /nfs/dbraw/zinc/29/66/61/569296661.db2.gz DPAJCAIQGNCRFS-IRZHRRCCSA-N 0 0 422.506 4.340 50 30 HIEARN CCOc1cc(Br)cc(C=Nc2ccc(N3CCOCC3)cc2)c1O ZINC000252600509 569296663 /nfs/dbraw/zinc/29/66/63/569296663.db2.gz DSAPWCPUEHBJJY-UHFFFAOYSA-N 0 0 405.292 4.141 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)=O)cc1 ZINC000252608835 569298054 /nfs/dbraw/zinc/29/80/54/569298054.db2.gz HNVPSYMUOGESIZ-LJQANCHMSA-N 0 0 407.495 4.036 50 30 HIEARN Cc1nc2ccccc2n1C[C@H](O)Cn1c2ccc(C)cc2c2c1C(=NO)CCC2 ZINC000252614148 569301038 /nfs/dbraw/zinc/30/10/38/569301038.db2.gz JGLNEYZMCHAXFN-KRWDZBQOSA-N 0 0 402.498 4.184 50 30 aggregator HIEARN COc1ccc(N=C2S/C(=C3/Sc4ccc(OC)cc4N3C)C(=O)N2C)cc1 ZINC000252619076 569302654 /nfs/dbraw/zinc/30/26/54/569302654.db2.gz LLXKLWLCUHKREX-WBBMIZNZSA-N 0 0 413.524 4.308 50 30 HIEARN C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000002212285 569307748 /nfs/dbraw/zinc/30/77/48/569307748.db2.gz SNLVZQRDYKDHGH-LJQANCHMSA-N 0 0 411.841 4.200 50 30 HIEARN Cc1c(N=Cc2ccc(OC(=O)c3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000252622906 569308271 /nfs/dbraw/zinc/30/82/71/569308271.db2.gz OFMJGBYDRDNFHT-UHFFFAOYSA-N 0 0 411.461 4.454 50 30 HIEARN C=CCN(C(=O)c1cccc(CS(C)(=O)=O)c1)c1nc(-c2ccccc2)cs1 ZINC000007781283 569309945 /nfs/dbraw/zinc/30/99/45/569309945.db2.gz MKVLEMHYCZLWIT-UHFFFAOYSA-N 0 0 412.536 4.188 50 30 HIEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccccc1 ZINC000252625190 569310078 /nfs/dbraw/zinc/31/00/78/569310078.db2.gz QEZLKYZDSBTGJU-OAHLLOKOSA-N 0 0 407.417 4.296 50 30 HIEARN O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)S/C1=C\c1ccccc1[N+](=O)[O-] ZINC000252628696 569311293 /nfs/dbraw/zinc/31/12/93/569311293.db2.gz SVURYUCWILXNAZ-MKSCUSSCSA-N 0 0 421.265 4.496 50 30 HIEARN CCOC(=O)C(=NNc1ccc(C(C)=O)cc1)c1csc(Nc2ccccc2)n1 ZINC000252629521 569311543 /nfs/dbraw/zinc/31/15/43/569311543.db2.gz UICDDFRTLTUCCN-UHFFFAOYSA-N 0 0 408.483 4.469 50 30 aggregator HIEARN COc1cccc(/N=C2/S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)c1 ZINC000002221499 569313057 /nfs/dbraw/zinc/31/30/57/569313057.db2.gz DIHRNRVTJYJMFG-LRWZUSMTSA-N 0 0 417.918 4.247 50 30 HIEARN C=CCn1c(SCC(=O)N(C)Cc2ccc(C)cc2C)nnc1-c1ccccc1 ZINC000007833182 569314001 /nfs/dbraw/zinc/31/40/01/569314001.db2.gz CQXYKDGUERQTFY-UHFFFAOYSA-N 0 0 406.555 4.499 50 30 HIEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)cc1O ZINC000253397963 569365265 /nfs/dbraw/zinc/36/52/65/569365265.db2.gz BUFDGVMRFVDYAU-BYINCCNUSA-N 0 0 414.413 4.458 50 30 HIEARN C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000002298345 569369540 /nfs/dbraw/zinc/36/95/40/569369540.db2.gz RPTQKDHUCUBDKA-UHFFFAOYSA-N 0 0 401.857 4.431 50 30 HIEARN O=C(Nc1ccccc1I)C(F)(F)C(F)(F)C(F)(F)F ZINC000002317889 569373331 /nfs/dbraw/zinc/37/33/31/569373331.db2.gz CTYGKSNFBUDKEV-UHFFFAOYSA-N 0 0 415.046 4.063 50 30 HIEARN COc1ccc(/C=C2/SC(=NN=Cc3ccc(C(C)C)cc3)NC2=O)c(OC)c1 ZINC000253532016 569382698 /nfs/dbraw/zinc/38/26/98/569382698.db2.gz KEAHYBDLAHJRFU-YMSLBPCVSA-N 0 0 409.511 4.421 50 30 HIEARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)cc1 ZINC000009328126 569392356 /nfs/dbraw/zinc/39/23/56/569392356.db2.gz TXMLIMZSRAQGDH-OAHLLOKOSA-N 0 0 406.511 4.364 50 30 HIEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000027748735 569392949 /nfs/dbraw/zinc/39/29/49/569392949.db2.gz CXSHADRGBLCOMI-FQEVSTJZSA-N 0 0 408.889 4.352 50 30 HIEARN CC1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002424720 569398352 /nfs/dbraw/zinc/39/83/52/569398352.db2.gz STKWQYPHHPOZBG-HXUWFJFHSA-N 0 0 424.501 4.044 50 30 HIEARN CCCn1c(N)c2c(cc(-c3cccc4ccccc43)n(CCC)c2=O)c(C#N)c1=O ZINC000068754905 569400320 /nfs/dbraw/zinc/40/03/20/569400320.db2.gz YIRDNGJYWFXXCH-UHFFFAOYSA-N 0 0 412.493 4.257 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(C)cc1 ZINC000002447161 569401404 /nfs/dbraw/zinc/40/14/04/569401404.db2.gz SMQXSBMRVYQNKF-UHFFFAOYSA-N 0 0 407.543 4.236 50 30 HIEARN Cc1ccc(NC(=O)CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000013059576 569408259 /nfs/dbraw/zinc/40/82/59/569408259.db2.gz HQCPORXSLXKMHW-UHFFFAOYSA-N 0 0 424.570 4.096 50 30 HIEARN Cc1nn(CCC(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000328589837 569414882 /nfs/dbraw/zinc/41/48/82/569414882.db2.gz DOHDZQDSWHAOCI-UHFFFAOYSA-N 0 0 400.222 4.277 50 30 HIEARN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000328596695 569416118 /nfs/dbraw/zinc/41/61/18/569416118.db2.gz QIVAVXBYPDPGSX-WFASDCNBSA-N 0 0 414.259 4.050 50 30 HIEARN COc1ccc(CCNc2oc(/C=C/c3ccc(OC)c(OC)c3)nc2C#N)cc1 ZINC000008474547 571053326 /nfs/dbraw/zinc/05/33/26/571053326.db2.gz ZWFWXINLOQAMDC-YRNVUSSQSA-N 0 0 405.454 4.397 50 30 HIEARN COc1cccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c1 ZINC000008492507 571061409 /nfs/dbraw/zinc/06/14/09/571061409.db2.gz NLDIKFZAZZWZBK-UHFFFAOYSA-N 0 0 416.525 4.104 50 30 HIEARN N#Cc1cccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000008598446 571088753 /nfs/dbraw/zinc/08/87/53/571088753.db2.gz UWXGISHNOFQUKT-UHFFFAOYSA-N 0 0 407.861 4.117 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=S)Nc2ccc(C)c(C)c2)c1 ZINC000008688007 571101903 /nfs/dbraw/zinc/10/19/03/571101903.db2.gz FQNGOAUBPDFJFA-UHFFFAOYSA-N 0 0 421.588 4.372 50 30 HIEARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccc(F)cc1 ZINC000008871182 571130217 /nfs/dbraw/zinc/13/02/17/571130217.db2.gz OOCHJKWJVXEILK-MZJWZYIUSA-N 0 0 424.439 4.440 50 30 HIEARN Cc1cccc(NC(=O)c2c(N)n(/N=C/c3ccccn3)c3nc4ccccc4nc32)c1 ZINC000008871183 571130494 /nfs/dbraw/zinc/13/04/94/571130494.db2.gz GLXABDOKKHIVHN-MZJWZYIUSA-N 0 0 421.464 4.005 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)c(O)c2)cc1 ZINC000008990597 571206589 /nfs/dbraw/zinc/20/65/89/571206589.db2.gz PLQJFVNSYFKONA-QRQCRPRQSA-N 0 0 418.449 4.361 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2CN(Cc2cccnc2)CO3)C1=O ZINC000008990894 571207047 /nfs/dbraw/zinc/20/70/47/571207047.db2.gz YXPDPQBIEQHYNX-JJFYIABZSA-N 0 0 400.434 4.059 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1OC ZINC000008991617 571207149 /nfs/dbraw/zinc/20/71/49/571207149.db2.gz ZWMXQRMLABGXJR-AOMKIAJQSA-N 0 0 417.465 4.353 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1OC ZINC000008991615 571207152 /nfs/dbraw/zinc/20/71/52/571207152.db2.gz ZWMXQRMLABGXJR-ZHRRBRCNSA-N 0 0 417.465 4.353 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009109959 571222705 /nfs/dbraw/zinc/22/27/05/571222705.db2.gz DZRNHSXEQXKIEW-FQEVSTJZSA-N 0 0 416.389 4.083 50 30 HIEARN C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000009119017 571224713 /nfs/dbraw/zinc/22/47/13/571224713.db2.gz FOZSFJCJOPAWPT-INIZCTEOSA-N 0 0 422.444 4.352 50 30 HIEARN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl ZINC000009138700 571230028 /nfs/dbraw/zinc/23/00/28/571230028.db2.gz UTLGWFIYMFLMJC-UHFFFAOYSA-N 0 0 415.814 4.130 50 30 HIEARN C=CCSc1nn(CC=C)c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000009250941 571242188 /nfs/dbraw/zinc/24/21/88/571242188.db2.gz XRASNGFIUGGCHY-UHFFFAOYSA-N 0 0 404.539 4.390 50 30 HIEARN COc1ccc([C@@H]2c3c4nc(-c5ccccc5)nn4cnc3OC3=C2C(=O)CCC3)cc1 ZINC000009252773 571242748 /nfs/dbraw/zinc/24/27/48/571242748.db2.gz URECJXNMHTYUAH-FQEVSTJZSA-N 0 0 424.460 4.331 50 30 HIEARN N#C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(OCc2ccccc2)cc1 ZINC000069744303 571242953 /nfs/dbraw/zinc/24/29/53/571242953.db2.gz USUKLMIYFVLPPF-QFIPXVFZSA-N 0 0 410.433 4.310 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1C ZINC000009303789 571246269 /nfs/dbraw/zinc/24/62/69/571246269.db2.gz PFXYFMWKZBLNSE-OAHLLOKOSA-N 0 0 422.510 4.288 50 30 HIEARN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)N(C)CCc3ccccn3)c(C)c12 ZINC000009306735 571246757 /nfs/dbraw/zinc/24/67/57/571246757.db2.gz HDCICRCDNCNVEM-UHFFFAOYSA-N 0 0 420.509 4.003 50 30 HIEARN CCn1c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1C1CC1 ZINC000009376906 571252896 /nfs/dbraw/zinc/25/28/96/571252896.db2.gz GCNULZZFRLUPJJ-GFCCVEGCSA-N 0 0 415.588 4.497 50 30 HIEARN C=CCn1c(SCc2cn3c(n2)nc(C)cc3C)nc2sc3c(c2c1=O)CCC3 ZINC000009403808 571254996 /nfs/dbraw/zinc/25/49/96/571254996.db2.gz NBUVOUOHBAHEMB-UHFFFAOYSA-N 0 0 423.567 4.085 50 30 HIEARN C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccc(C#N)cc1 ZINC000009511174 571264144 /nfs/dbraw/zinc/26/41/44/571264144.db2.gz QPJJSHOTXUSQFG-QGZVFWFLSA-N 0 0 423.476 4.038 50 30 HIEARN C=CCn1c(SCC(=O)N(C)Cc2cccc(F)c2)nnc1-c1cccc(C)c1 ZINC000009513916 571264659 /nfs/dbraw/zinc/26/46/59/571264659.db2.gz IKUOJVZXXTUXSB-UHFFFAOYSA-N 0 0 410.518 4.329 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@@H]3CCOC(C)(C)C3)c(=O)oc2c1 ZINC000070666670 571272266 /nfs/dbraw/zinc/27/22/66/571272266.db2.gz KUEGNVFMYXBAPX-QGZVFWFLSA-N 0 0 413.514 4.063 50 30 HIEARN N#Cc1ccsc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009714968 571281569 /nfs/dbraw/zinc/28/15/69/571281569.db2.gz MSEMCANBRMSIGD-UHFFFAOYSA-N 0 0 417.899 4.326 50 30 HIEARN N#Cc1ccsc1NC(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000009981833 571293557 /nfs/dbraw/zinc/29/35/57/571293557.db2.gz YGNBZQRAIYJIOM-UHFFFAOYSA-N 0 0 417.825 4.065 50 30 HIEARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCS/C1=N\CCc1ccccc1 ZINC000003438011 845020010 /nfs/dbraw/zinc/02/00/10/845020010.db2.gz DICAGXKNJZYVMV-VZCXRCSSSA-N 0 0 403.891 4.426 50 30 HIEARN N#Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000004778912 845065737 /nfs/dbraw/zinc/06/57/37/845065737.db2.gz RTSIDLJTLKWNPM-FPYGCLRLSA-N 0 0 408.763 4.426 50 30 HIEARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1 ZINC000007505597 845349029 /nfs/dbraw/zinc/34/90/29/845349029.db2.gz BSXDDZAJRMRDPH-LHHJGKSTSA-N 0 0 409.463 4.098 50 30 HIEARN CCOc1cc(/C=C2\CN(CC)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O ZINC000025264791 846950422 /nfs/dbraw/zinc/95/04/22/846950422.db2.gz FSDQABVWNFPNJO-AYKLPDECSA-N 0 0 423.509 4.267 50 30 HIEARN O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000033765688 848139171 /nfs/dbraw/zinc/13/91/71/848139171.db2.gz CEOAFBWTMIIQGQ-KAMYIIQDSA-N 0 0 414.483 4.056 50 30 HIEARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000096924792 852558261 /nfs/dbraw/zinc/55/82/61/852558261.db2.gz HYMFIWQJUPUIIP-SEYXRHQNSA-N 0 0 423.520 4.472 50 30 HIEARN N#Cc1ccc(/C=C2/CN(c3ccccn3)C/C(=C/c3ccc(C#N)cc3)C2=O)cc1 ZINC000098007566 852651289 /nfs/dbraw/zinc/65/12/89/852651289.db2.gz YOFJQIGOKZOEGD-GACBQCINSA-N 0 0 402.457 4.381 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccc(Br)cc1 ZINC000102479255 852664959 /nfs/dbraw/zinc/66/49/59/852664959.db2.gz IOYWOYCDENIJTP-XDHOZWIPSA-N 0 0 414.299 4.487 50 30 HIEARN Cc1c(C#N)c2ccccn2c1/C(=N\S(=O)(=O)c1cccs1)c1ccccc1 ZINC000103222745 852666870 /nfs/dbraw/zinc/66/68/70/852666870.db2.gz PCNFDFUACUROCU-ATJXCDBQSA-N 0 0 405.504 4.407 50 30 HIEARN C[C@H](ON=C(N)c1ccc(Oc2ccccc2)nc1)c1noc(-c2ccccc2)n1 ZINC000170616323 853667756 /nfs/dbraw/zinc/66/77/56/853667756.db2.gz MVUAUDRBAGDQIQ-HNNXBMFYSA-N 0 0 401.426 4.322 50 30 HIEARN COc1cc(C=NO[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc(Cl)c1OC ZINC000254294596 854210539 /nfs/dbraw/zinc/21/05/39/854210539.db2.gz KUYYZSGVSYJICD-UONOGXRCSA-N 0 0 402.878 4.074 50 30 HIEARN CC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(OC)cc1 ZINC000254478824 854211860 /nfs/dbraw/zinc/21/18/60/854211860.db2.gz IDJOPHJFOAAFGP-KXBFYZLASA-N 0 0 411.527 4.454 50 30 HIEARN Oc1ccc(C=Nn2c(-c3cccs3)csc2=NCc2cccnc2)c(O)c1 ZINC000254568618 854212412 /nfs/dbraw/zinc/21/24/12/854212412.db2.gz AUAIZMAAJQHWPC-UHFFFAOYSA-N 0 0 408.508 4.067 50 30 HIEARN CC[C@@H]1CSC(=Nc2cccc(C)c2)N1C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000254528139 854212548 /nfs/dbraw/zinc/21/25/48/854212548.db2.gz QELXXCRQIHCPII-QGZVFWFLSA-N 0 0 421.522 4.023 50 30 HIEARN C=CCn1c(-c2ccccc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254733453 854213263 /nfs/dbraw/zinc/21/32/63/854213263.db2.gz ZZLSAKXDCIPGKQ-UHFFFAOYSA-N 0 0 402.523 4.433 50 30 HIEARN CCOc1cccc(C=Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c1O ZINC000254633905 854213657 /nfs/dbraw/zinc/21/36/57/854213657.db2.gz RFSRYKRJPFTIDV-UHFFFAOYSA-N 0 0 402.516 4.025 50 30 HIEARN O=S(=O)(NN=Cc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000254791953 854214139 /nfs/dbraw/zinc/21/41/39/854214139.db2.gz XFGUZIGHAICTGM-UHFFFAOYSA-N 0 0 415.312 4.429 50 30 HIEARN CCOc1ccc(N2CSc3nc(-c4ccc(C)cc4)c(C#N)c(=O)n3C2)cc1 ZINC000012250602 132357803 /nfs/dbraw/zinc/35/78/03/132357803.db2.gz LVVQWBCRVVDMHP-UHFFFAOYSA-N 0 0 404.495 4.016 50 30 HIEARN C#CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)c2cccc(C)c21 ZINC000032092182 518265824 /nfs/dbraw/zinc/26/58/24/518265824.db2.gz XTPGFLXFTVTEIG-RUZDIDTESA-N 0 0 410.477 4.055 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)cc1OC ZINC000036357422 518328571 /nfs/dbraw/zinc/32/85/71/518328571.db2.gz PUHIANXIPSESAG-SFHVURJKSA-N 0 0 403.438 4.025 50 30 HIEARN C#CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Cl ZINC000019804585 518329172 /nfs/dbraw/zinc/32/91/72/518329172.db2.gz MWGCXBLVVMLKLY-HXUWFJFHSA-N 0 0 419.864 4.093 50 30 HIEARN C#CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2cccc(C)c2)cc1 ZINC000020898731 518331340 /nfs/dbraw/zinc/33/13/40/518331340.db2.gz QUAJXLSODXAMDP-JOCHJYFZSA-N 0 0 403.507 4.276 50 30 HIEARN C#CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1 ZINC000021788258 518331763 /nfs/dbraw/zinc/33/17/63/518331763.db2.gz KVNZQHCBWXTXIY-JOCHJYFZSA-N 0 0 403.507 4.276 50 30 HIEARN C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000000999864 518451353 /nfs/dbraw/zinc/45/13/53/518451353.db2.gz LUCPJWDYAQJCPS-UCQKPKSFSA-N 0 0 419.934 4.171 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cc(OCC)c(OC)cc2Br)SC1=S ZINC000015016608 518825045 /nfs/dbraw/zinc/82/50/45/518825045.db2.gz CLEJMNBLTQMJRV-ZSOIEALJSA-N 0 0 414.346 4.244 50 30 HIEARN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000033115480 518883487 /nfs/dbraw/zinc/88/34/87/518883487.db2.gz VECJCDVLUNLLRK-UHFFFAOYSA-N 0 0 412.555 4.119 50 30 HIEARN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274694 518884757 /nfs/dbraw/zinc/88/47/57/518884757.db2.gz HLSFOMCMJYWBOJ-UHFFFAOYSA-N 0 0 412.555 4.020 50 30 HIEARN C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846041 519047473 /nfs/dbraw/zinc/04/74/73/519047473.db2.gz WHLMRCATEYFITR-HSZRJFAPSA-N 0 0 424.456 4.498 50 30 HIEARN C=CCSc1nnc(-c2nnn(Cc3ccc(Cl)cc3)c2N)n1-c1ccccc1 ZINC000019897429 519084968 /nfs/dbraw/zinc/08/49/68/519084968.db2.gz QITRKGHORGOFGF-UHFFFAOYSA-N 0 0 423.933 4.088 50 30 HIEARN C=CCSc1nnc2n1-c1nnc(SCC=C)n1-c1sc3c(c1-2)CCCC3 ZINC000001764603 519093420 /nfs/dbraw/zinc/09/34/20/519093420.db2.gz UWYLIFLCYGGLEM-UHFFFAOYSA-N 0 0 414.585 4.325 50 30 HIEARN C=CCc1cc(/C=C2\NC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000033334291 519126410 /nfs/dbraw/zinc/12/64/10/519126410.db2.gz BENCBYBVQRHWEO-ZHZULCJRSA-N 0 0 406.482 4.305 50 30 HIEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCC(=O)N1CCCCCC1 ZINC000007062385 519153872 /nfs/dbraw/zinc/15/38/72/519153872.db2.gz RJOHLUUADNJAMX-UHFFFAOYSA-N 0 0 403.573 4.016 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)nnc1-c1ccoc1C ZINC000024509815 519232185 /nfs/dbraw/zinc/23/21/85/519232185.db2.gz NILHDJOFDQRAJW-AWEZNQCLSA-N 0 0 424.526 4.205 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccnn2[C@@H](C)CC)nnc1-c1ccoc1C ZINC000012984360 519258417 /nfs/dbraw/zinc/25/84/17/519258417.db2.gz WLFWZKRICIUNSG-DZGCQCFKSA-N 0 0 414.535 4.319 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@](C)(OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000257358557 519757074 /nfs/dbraw/zinc/75/70/74/519757074.db2.gz VDMRSWDDYYBJOQ-DWAKBZQMSA-N 0 0 402.531 4.382 50 30 HIEARN CCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(C)C ZINC000102990927 519961440 /nfs/dbraw/zinc/96/14/40/519961440.db2.gz JXJWHFJUHBLOEC-NRFANRHFSA-N 0 0 406.567 4.385 50 30 HIEARN CCCCCCCCOc1ccc([C@@H](CC(N)=O)c2oc(C)cc(=O)c2O)cc1 ZINC000217651764 520044173 /nfs/dbraw/zinc/04/41/73/520044173.db2.gz DOMFDMFVRUWUPV-LJQANCHMSA-N 0 0 401.503 4.400 50 30 HIEARN CCCCCSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1C(=O)CCCC1=N2 ZINC000020091517 520274427 /nfs/dbraw/zinc/27/44/27/520274427.db2.gz NLZZUPLIVSRWGO-GOSISDBHSA-N 0 0 413.503 4.491 50 30 HIEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000018178457 520398042 /nfs/dbraw/zinc/39/80/42/520398042.db2.gz UJRUAKRIYLZNPE-YQMDHOPXSA-N 0 0 415.490 4.205 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC(F)F)cc1 ZINC000036633733 520504699 /nfs/dbraw/zinc/50/46/99/520504699.db2.gz MKJITYLCTKQFTR-SFHVURJKSA-N 0 0 411.404 4.420 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2OC)SC(=Cc2cccc(C)c2O)C1=O ZINC000036258041 520540382 /nfs/dbraw/zinc/54/03/82/520540382.db2.gz XZFYJZBLHQCRBR-SFQUDFHCSA-N 0 0 411.479 4.253 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000001010248 520808831 /nfs/dbraw/zinc/80/88/31/520808831.db2.gz QWTFAGDRCSRTLB-QFIPXVFZSA-N 0 0 420.440 4.161 50 30 HIEARN CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1C[C@H]1CCCO1 ZINC000020069832 520887697 /nfs/dbraw/zinc/88/76/97/520887697.db2.gz MOJLAHPPZSVFOC-LLVKDONJSA-N 0 0 412.374 4.406 50 30 HIEARN CCOc1ccc([C@@H](NC(=O)COc2ccc(CC#N)cc2)C(C)C)cc1OCC ZINC000053309684 521230210 /nfs/dbraw/zinc/23/02/10/521230210.db2.gz ODURTRVLJLXLNU-DEOSSOPVSA-N 0 0 410.514 4.442 50 30 HIEARN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4)CC3)c2c1 ZINC000044167570 521307281 /nfs/dbraw/zinc/30/72/81/521307281.db2.gz JRDQRAFLZSPTRQ-UHFFFAOYSA-N 0 0 414.509 4.038 50 30 HIEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)c1C ZINC000035684746 521357817 /nfs/dbraw/zinc/35/78/17/521357817.db2.gz MATFREXNICULNL-SREVYHEPSA-N 0 0 422.275 4.181 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2)Nc2ccccc2OCC)c(C)n1 ZINC000032972782 521650645 /nfs/dbraw/zinc/65/06/45/521650645.db2.gz LKJUJUSMPFOKPE-UHFFFAOYSA-N 0 0 419.529 4.398 50 30 HIEARN COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccccc1F ZINC000100815561 521949163 /nfs/dbraw/zinc/94/91/63/521949163.db2.gz FNKBNUXYPQJAHC-VGOFMYFVSA-N 0 0 420.234 4.492 50 30 HIEARN COC(=O)c1ccc(COC(=O)c2ccc(Oc3cccc(C#N)c3C#N)cc2)cc1 ZINC000001128494 522044424 /nfs/dbraw/zinc/04/44/24/522044424.db2.gz QIBFQSGPXLBGMJ-UHFFFAOYSA-N 0 0 412.401 4.366 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000027533239 522893262 /nfs/dbraw/zinc/89/32/62/522893262.db2.gz AHESJQLAIHIDEC-BEFAXECRSA-N 0 0 409.869 4.198 50 30 HIEARN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(O)cc2)ccc1O ZINC000033321136 522921541 /nfs/dbraw/zinc/92/15/41/522921541.db2.gz QMVVDKUPFZXUJF-NYHFZMIOSA-N 0 0 418.449 4.361 50 30 HIEARN COc1ccc(/C(C)=N\OCc2nc3c4c(C)c(C)n(CC(C)C)c4ncn3n2)cc1 ZINC000009183960 523366482 /nfs/dbraw/zinc/36/64/82/523366482.db2.gz RPKKKFIOHKBPBR-YUMHPJSZSA-N 0 0 420.517 4.301 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(OC)cc2)Nc2ccc(F)cc2)c1C ZINC000032972259 523638864 /nfs/dbraw/zinc/63/88/64/523638864.db2.gz RJMBODBYZHMMOG-UHFFFAOYSA-N 0 0 423.492 4.066 50 30 HIEARN COc1ccc(C(=O)Nc2cccc(/C=C3\S/C(=N\C4CCCC4)NC3=O)c2)cc1 ZINC000021190801 523754618 /nfs/dbraw/zinc/75/46/18/523754618.db2.gz QXGJZBQVVVDYLW-ZHZULCJRSA-N 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524761559 /nfs/dbraw/zinc/76/15/59/524761559.db2.gz SCPWKMKQYHDSRG-RBZFPXEDSA-N 0 0 406.417 4.197 50 30 HIEARN C[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2cccnc2)o1 ZINC000008991538 524967985 /nfs/dbraw/zinc/96/79/85/524967985.db2.gz OKCNWBDKJUXBBA-IOVBUETRSA-N 0 0 420.490 4.226 50 30 HIEARN COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 ZINC000009419306 525090871 /nfs/dbraw/zinc/09/08/71/525090871.db2.gz WEYMHVOONRQRQD-XKZIYDEJSA-N 0 0 422.458 4.388 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccnc2)cc1OC ZINC000008991614 525400904 /nfs/dbraw/zinc/40/09/04/525400904.db2.gz ZWMXQRMLABGXJR-OPAMFIHVSA-N 0 0 417.465 4.353 50 30 HIEARN Cc1c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000024506978 525605537 /nfs/dbraw/zinc/60/55/37/525605537.db2.gz OVEKURHFUOVUOU-UHFFFAOYSA-N 0 0 402.416 4.279 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000018059433 526269074 /nfs/dbraw/zinc/26/90/74/526269074.db2.gz 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UQUFJDYZUMDJJW-ISJGIBHGSA-N 0 0 423.509 4.103 50 30 HIEARN CC(=O)C1=C(c2ccc(C)c(C)c2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1 ZINC000004518337 558642342 /nfs/dbraw/zinc/64/23/42/558642342.db2.gz RICSYAXREAJKHJ-UHFFFAOYSA-N 0 0 418.522 4.418 50 30 HIEARN C=CCn1c(SCCCc2nc(-c3cccnc3)no2)nnc1-c1ccccc1 ZINC000010994001 558646187 /nfs/dbraw/zinc/64/61/87/558646187.db2.gz QDLICZAEDLMWGF-UHFFFAOYSA-N 0 0 404.499 4.301 50 30 HIEARN C=CCn1c(SC)nnc1-c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000003052111 558651907 /nfs/dbraw/zinc/65/19/07/558651907.db2.gz ZRPFRQRZFASVEU-UHFFFAOYSA-N 0 0 407.326 4.370 50 30 HIEARN CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCCOc1ccc(C)c(C)c1 ZINC000004549345 558672981 /nfs/dbraw/zinc/67/29/81/558672981.db2.gz WCULFPBYEBMFCT-BRJLIKDPSA-N 0 0 414.893 4.287 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)ccc1O ZINC000015769357 558752370 /nfs/dbraw/zinc/75/23/70/558752370.db2.gz INFVASQBBBGCDD-NRFANRHFSA-N 0 0 419.408 4.323 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1F ZINC000016729240 558802196 /nfs/dbraw/zinc/80/21/96/558802196.db2.gz DNZSQIZGOPROJC-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN Cc1cccc(NC(=O)C(N=Nc2ccc3c(c2)OCCO3)C(=O)c2ccccc2)c1 ZINC000016745587 558804390 /nfs/dbraw/zinc/80/43/90/558804390.db2.gz CWJFTXIICRHNOG-QYQHSDTDSA-N 0 0 415.449 4.056 50 30 HIEARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997477 558808472 /nfs/dbraw/zinc/80/84/72/558808472.db2.gz AFJJDEZXTQSBMV-NRFANRHFSA-N 0 0 417.494 4.275 50 30 HIEARN C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000017082606 558814759 /nfs/dbraw/zinc/81/47/59/558814759.db2.gz BZTKWQNOXFVQLW-DEDYPNTBSA-N 0 0 403.301 4.305 50 30 HIEARN O=S(=O)(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(Cl)cc1 ZINC000017091682 558820256 /nfs/dbraw/zinc/82/02/56/558820256.db2.gz FZZJMWLJHTWQPY-YDZHTSKRSA-N 0 0 418.877 4.371 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1C ZINC000017146166 558824074 /nfs/dbraw/zinc/82/40/74/558824074.db2.gz NVERUWAYXLGFEX-JOCHJYFZSA-N 0 0 414.461 4.177 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000017160515 558824368 /nfs/dbraw/zinc/82/43/68/558824368.db2.gz GVMCKZDGEGXDPD-JOCHJYFZSA-N 0 0 414.461 4.177 50 30 HIEARN CC(=O)/C(=C\NC(=S)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C ZINC000017222752 558825968 /nfs/dbraw/zinc/82/59/68/558825968.db2.gz FIZXZIYYINTYGS-LFIBNONCSA-N 0 0 421.444 4.412 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000018128907 558831783 /nfs/dbraw/zinc/83/17/83/558831783.db2.gz RRQBLEWUDXDVIC-JOCHJYFZSA-N 0 0 403.482 4.005 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1C ZINC000013569252 558844476 /nfs/dbraw/zinc/84/44/76/558844476.db2.gz LTKYUUSASJBMKB-NRFANRHFSA-N 0 0 418.449 4.391 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1OC ZINC000013653801 558850884 /nfs/dbraw/zinc/85/08/84/558850884.db2.gz HDXWJGFKVFUHGT-SRMCNWIXSA-N 0 0 409.482 4.258 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000013653587 558850940 /nfs/dbraw/zinc/85/09/40/558850940.db2.gz CGJFEVFJSCQNMC-SRMCNWIXSA-N 0 0 409.482 4.400 50 30 HIEARN CCCCC[C@H](C)N1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N ZINC000013691213 558855714 /nfs/dbraw/zinc/85/57/14/558855714.db2.gz HBCIIQANTYQSNS-AWEZNQCLSA-N 0 0 415.559 4.308 50 30 HIEARN C=CCn1c(C)c(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000004618437 558864272 /nfs/dbraw/zinc/86/42/72/558864272.db2.gz MVRCKHDJWNRANY-XSFVSMFZSA-N 0 0 403.507 4.407 50 30 HIEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 ZINC000097954030 558865642 /nfs/dbraw/zinc/86/56/42/558865642.db2.gz WVSDPBMRQIYJFH-GUDVDZBRSA-N 0 0 424.545 4.364 50 30 HIEARN Cc1cc(C)nc(NC(=NC(=S)Nc2cccc(C)c2C)NCc2cccnc2)n1 ZINC000014157702 558891686 /nfs/dbraw/zinc/89/16/86/558891686.db2.gz ZRPULGMCHPTCND-UHFFFAOYSA-N 0 0 419.558 4.060 50 30 HIEARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019535427 558913525 /nfs/dbraw/zinc/91/35/25/558913525.db2.gz XTACSKBIFINGHA-JOCHJYFZSA-N 0 0 409.482 4.066 50 30 HIEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCN2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000058377690 558922724 /nfs/dbraw/zinc/92/27/24/558922724.db2.gz CZMSLPJTLKQZCM-UHFFFAOYSA-N 0 0 419.506 4.077 50 30 HIEARN COc1ccc2[nH]cc(C(=O)/C=C3/SC(=S)N(c4ccc(C#N)cc4)C3=O)c2c1 ZINC000077024413 558999147 /nfs/dbraw/zinc/99/91/47/558999147.db2.gz XPZXPCRHPKKDPF-DJKKODMXSA-N 0 0 419.487 4.180 50 30 HIEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000097284857 559016950 /nfs/dbraw/zinc/01/69/50/559016950.db2.gz BKFCVMQBQBLGBP-BENRWUELSA-N 0 0 412.423 4.122 50 30 HIEARN CCOC(=O)c1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000004754376 559050865 /nfs/dbraw/zinc/05/08/65/559050865.db2.gz UIHUWLVNFSZAGV-PGLVWIQMSA-N 0 0 423.538 4.151 50 30 HIEARN COc1cccc(/C=N/c2cccc(-c3nn4c(nnc4C(F)(F)F)s3)c2)c1O ZINC000098086965 559065502 /nfs/dbraw/zinc/06/55/02/559065502.db2.gz OXCOMPCDKPXSTL-LSFURLLWSA-N 0 0 419.388 4.336 50 30 HIEARN N#Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)cc2)c3=O)c1 ZINC000011372149 559066994 /nfs/dbraw/zinc/06/69/94/559066994.db2.gz APORJXBIFVSSLG-UHFFFAOYSA-N 0 0 416.437 4.311 50 30 HIEARN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000011398574 559070526 /nfs/dbraw/zinc/07/05/26/559070526.db2.gz QBDRSKQQGWFPGF-MRXNPFEDSA-N 0 0 417.465 4.383 50 30 HIEARN FC(F)(F)C(F)(OC(F)(F)C(F)(F)I)C(F)(F)F ZINC000095682061 559087951 /nfs/dbraw/zinc/08/79/51/559087951.db2.gz ZTRORDXSFFFPOW-UHFFFAOYSA-N 0 0 411.936 4.414 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1F ZINC000004814793 559077491 /nfs/dbraw/zinc/07/74/91/559077491.db2.gz KTHPPLBMRYCWNF-GFCCVEGCSA-N 0 0 403.508 4.154 50 30 HIEARN CCCCOc1ccc(C=Nc2c(N)n(-c3ccc(Cl)cc3)c(=O)nc2C#N)cc1 ZINC000100178817 559131512 /nfs/dbraw/zinc/13/15/12/559131512.db2.gz XNNHYEGKARUAEI-LGGXYAPMSA-N 0 0 421.888 4.100 50 30 HIEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccc(F)cc3)S2)cc1 ZINC000100184442 559173943 /nfs/dbraw/zinc/17/39/43/559173943.db2.gz UJRUAKRIYLZNPE-JQBIEYAESA-N 0 0 415.490 4.205 50 30 HIEARN CCCC(=O)C1=C(Nc2ccc(Br)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100319533 559194174 /nfs/dbraw/zinc/19/41/74/559194174.db2.gz GITRQQJMIOVDNN-KRWDZBQOSA-N 0 0 422.319 4.273 50 30 HIEARN Cc1nn(CCCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1[N+](=O)[O-] ZINC000004873914 559194188 /nfs/dbraw/zinc/19/41/88/559194188.db2.gz AEWBNJXCDSWXHY-UHFFFAOYSA-N 0 0 401.492 4.029 50 30 HIEARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccccn1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004871475 559194431 /nfs/dbraw/zinc/19/44/31/559194431.db2.gz FDDWDDCGOIXFAD-NRFANRHFSA-N 0 0 414.513 4.183 50 30 HIEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)O[C@@H](C)COC ZINC000004889418 559197850 /nfs/dbraw/zinc/19/78/50/559197850.db2.gz GWABGCGQESQLSW-ROUUACIJSA-N 0 0 412.534 4.222 50 30 HIEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)O[C@@H](C)COC ZINC000004889417 559197856 /nfs/dbraw/zinc/19/78/56/559197856.db2.gz GWABGCGQESQLSW-ZWKOTPCHSA-N 0 0 412.534 4.222 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cc(OC)ccc1OC ZINC000004919308 559204712 /nfs/dbraw/zinc/20/47/12/559204712.db2.gz VIDAJWHJCDKWMS-REWPJTCUSA-N 0 0 410.466 4.032 50 30 HIEARN Cc1cc(C)c(C#N)c(SC[C@@H](O)C[S@](=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000004978410 559220349 /nfs/dbraw/zinc/22/03/49/559220349.db2.gz FLRDSWCWZAJOGJ-XGCWNURASA-N 0 0 402.585 4.128 50 30 HIEARN C=CCn1c(SCCCCC)nc2ccc(I)cc2c1=O ZINC000005033013 559231593 /nfs/dbraw/zinc/23/15/93/559231593.db2.gz VIIVKKYYRRNANW-UHFFFAOYSA-N 0 0 414.312 4.469 50 30 HIEARN Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc32)cc1 ZINC000005068903 559240459 /nfs/dbraw/zinc/24/04/59/559240459.db2.gz OREHUXPVDUHMKN-DHRITJCHSA-N 0 0 410.437 4.203 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c3ccccc3[nH]c2c1=O ZINC000005106761 559245955 /nfs/dbraw/zinc/24/59/55/559245955.db2.gz GDYDLNHKTAGTRP-UHFFFAOYSA-N 0 0 418.522 4.411 50 30 HIEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000239174392 559271620 /nfs/dbraw/zinc/27/16/20/559271620.db2.gz PYDDFBVISASNAB-UHFFFAOYSA-N 0 0 409.298 4.440 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc3ccccc3[nH]2)c1C#N ZINC000005165163 559278469 /nfs/dbraw/zinc/27/84/69/559278469.db2.gz RLXLWWRSAVDOSZ-UHFFFAOYSA-N 0 0 405.483 4.225 50 30 HIEARN O=S(=O)(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000252618162 559278475 /nfs/dbraw/zinc/27/84/75/559278475.db2.gz LENAKZUOKGUZAG-UHFFFAOYSA-N 0 0 400.887 4.231 50 30 HIEARN COc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 ZINC000005348632 560571014 /nfs/dbraw/zinc/57/10/14/560571014.db2.gz JTQBRGPXOSNTLD-FBRGJASNSA-N 0 0 407.499 4.023 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccc(C)c1 ZINC000005477887 560594949 /nfs/dbraw/zinc/59/49/49/560594949.db2.gz ZBRGTVHPDIHDCK-UHFFFAOYSA-N 0 0 400.454 4.449 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1cccnc1 ZINC000005490613 560597435 /nfs/dbraw/zinc/59/74/35/560597435.db2.gz JMBCCZMIHLVMBY-JOCHJYFZSA-N 0 0 414.461 4.177 50 30 HIEARN C=CCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O ZINC000005516595 560604533 /nfs/dbraw/zinc/60/45/33/560604533.db2.gz VUQIFURWBQXSST-OQKWZONESA-N 0 0 419.550 4.352 50 30 HIEARN CCOC(=O)Cc1csc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000004892942 560615407 /nfs/dbraw/zinc/61/54/07/560615407.db2.gz HXJRZXVBCQGUIO-WOJGMQOQSA-N 0 0 416.568 4.221 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 ZINC000017179728 560703860 /nfs/dbraw/zinc/70/38/60/560703860.db2.gz HBJIOGGAUVLXLQ-HXUWFJFHSA-N 0 0 407.397 4.206 50 30 HIEARN N#CC1(C#N)[C@H](c2ccoc2)[C@H](C(=O)Oc2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000017467096 560717031 /nfs/dbraw/zinc/71/70/31/560717031.db2.gz FWYQTWKAYMEBJL-YTFSRNRJSA-N 0 0 407.429 4.287 50 30 HIEARN CSc1nc(N=CC2NC(=O)N(c3ccccc3)C2=O)c(-c2ccccc2)s1 ZINC000100856072 560760282 /nfs/dbraw/zinc/76/02/82/560760282.db2.gz DPXHDACXCXCEKL-CIAFOILYSA-N 0 0 408.508 4.467 50 30 HIEARN C#CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cc(Cl)sc1Cl ZINC000100875847 560761629 /nfs/dbraw/zinc/76/16/29/560761629.db2.gz JBZRJBOKTONOJS-FXBPSFAMSA-N 0 0 424.334 4.404 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000018082267 560774988 /nfs/dbraw/zinc/77/49/88/560774988.db2.gz JEYMVXTVOAKFMB-JOCHJYFZSA-N 0 0 403.482 4.005 50 30 HIEARN COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2cccs2)C1=O ZINC000018152460 560780072 /nfs/dbraw/zinc/78/00/72/560780072.db2.gz SJKRVHHOTMYYNH-XNTDXEJSSA-N 0 0 404.285 4.388 50 30 HIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccc(C(F)(F)F)cc3)C12 ZINC000018200415 560782973 /nfs/dbraw/zinc/78/29/73/560782973.db2.gz PMAHBORQZVEAIB-SGTLLEGYSA-N 0 0 400.360 4.306 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccn4)nn3[C@H](c3ccccc3F)C12 ZINC000018198881 560783657 /nfs/dbraw/zinc/78/36/57/560783657.db2.gz YOTAFCHIOLBLPT-LJQANCHMSA-N 0 0 407.474 4.127 50 30 HIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccco3)C1)[C@@H]2c1cccnc1 ZINC000018199759 560783881 /nfs/dbraw/zinc/78/38/81/560783881.db2.gz CWDCOANPEPCYPJ-IERDGZPVSA-N 0 0 424.460 4.112 50 30 HIEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101284731 560790595 /nfs/dbraw/zinc/79/05/95/560790595.db2.gz ASBLWFPZXZNTLX-LJQANCHMSA-N 0 0 413.478 4.379 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1 ZINC000101287969 560790717 /nfs/dbraw/zinc/79/07/17/560790717.db2.gz UGGBQAUWDUCAJN-MOBKVPTQSA-N 0 0 412.445 4.273 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000101287977 560790722 /nfs/dbraw/zinc/79/07/22/560790722.db2.gz VCGZSVOICKMWHP-JBCNATCCSA-N 0 0 416.433 4.174 50 30 HIEARN COC(=O)/C=C1/S/C(=N/c2ccc(C)cc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000101379881 560793741 /nfs/dbraw/zinc/79/37/41/560793741.db2.gz CPYNIHYEZSLSDG-OYPKHVMMSA-N 0 0 419.506 4.339 50 30 HIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000018322548 560797253 /nfs/dbraw/zinc/79/72/53/560797253.db2.gz UYFPUEKZSIKQNM-HXUWFJFHSA-N 0 0 413.514 4.261 50 30 HIEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O ZINC000101662475 560798139 /nfs/dbraw/zinc/79/81/39/560798139.db2.gz UCRBYHZHHJXKSS-IBGZPJMESA-N 0 0 413.440 4.315 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000102539771 560814083 /nfs/dbraw/zinc/81/40/83/560814083.db2.gz NBMVUNVOHNINAH-NHFXJNLRSA-N 0 0 418.380 4.360 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)c1 ZINC000102579047 560816845 /nfs/dbraw/zinc/81/68/45/560816845.db2.gz FVUALOSPKKEIAI-ZHHPLPSFSA-N 0 0 413.473 4.360 50 30 HIEARN CSc1ccc([C@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1 ZINC000102659546 560819161 /nfs/dbraw/zinc/81/91/61/560819161.db2.gz RPPBNLPTYWWHMM-HNNXBMFYSA-N 0 0 403.463 4.141 50 30 HIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1 ZINC000102804123 560826736 /nfs/dbraw/zinc/82/67/36/560826736.db2.gz JZOYRGCRCGTOCX-WOOAAIBNSA-N 0 0 406.438 4.500 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102799673 560828279 /nfs/dbraw/zinc/82/82/79/560828279.db2.gz QSJKYWMDOUAITG-MRJHHRETSA-N 0 0 423.509 4.061 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102858357 560831098 /nfs/dbraw/zinc/83/10/98/560831098.db2.gz UTDHPGQUFUIXFN-YDJIHCHBSA-N 0 0 420.852 4.370 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 ZINC000102927877 560834587 /nfs/dbraw/zinc/83/45/87/560834587.db2.gz MXALZZOWKTUPDV-YDJIHCHBSA-N 0 0 407.397 4.049 50 30 HIEARN Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(Br)C(=O)c3ccccc32)cc1C ZINC000103747998 560844197 /nfs/dbraw/zinc/84/41/97/560844197.db2.gz FUFHIOZSSUPTSS-HEHNFIMWSA-N 0 0 418.312 4.265 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000104096811 560848134 /nfs/dbraw/zinc/84/81/34/560848134.db2.gz CGJMHGUAROYXKN-NHFXJNLRSA-N 0 0 418.380 4.360 50 30 HIEARN Cc1ccc([C@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1Cl ZINC000104101923 560848163 /nfs/dbraw/zinc/84/81/63/560848163.db2.gz NMDAVBDIBJTKAG-HNNXBMFYSA-N 0 0 405.841 4.381 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(OC)c2)SC(=Cc2cc(C)ccc2O)C1=O ZINC000103122539 560852904 /nfs/dbraw/zinc/85/29/04/560852904.db2.gz BAFZWBCJBAYXLD-WOJGMQOQSA-N 0 0 411.479 4.253 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cc(Cl)ccc2OC)c1 ZINC000046127438 568428793 /nfs/dbraw/zinc/42/87/93/568428793.db2.gz YAOGZEKDFQYPHH-UHFFFAOYSA-N 0 0 424.888 4.150 50 30 HIEARN CC(=O)Nc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)c(C)c2)c1 ZINC000046127391 568428822 /nfs/dbraw/zinc/42/88/22/568428822.db2.gz AOGOVQUBIISKIH-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)c(C)c2)cc1 ZINC000046127399 568428838 /nfs/dbraw/zinc/42/88/38/568428838.db2.gz CCQNEBOIFCHKQV-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2cccnc2)Nc2cccc(C)c2C)c1 ZINC000046128090 568428950 /nfs/dbraw/zinc/42/89/50/568428950.db2.gz XYKLUKVFQUPKFM-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2cccc(Cl)c2)NC[C@@H]2CCCO2)cc1 ZINC000046128993 568429114 /nfs/dbraw/zinc/42/91/14/568429114.db2.gz NIDHKEPNKRSYMS-IBGZPJMESA-N 0 0 401.894 4.116 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(Cl)cc2C)c1 ZINC000046132894 568430336 /nfs/dbraw/zinc/43/03/36/568430336.db2.gz QLWCTLQPYQRTNR-SFHVURJKSA-N 0 0 401.894 4.034 50 30 HIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)cc2c1C ZINC000048230711 568433265 /nfs/dbraw/zinc/43/32/65/568433265.db2.gz FDYCVQUTDDUTLX-VMPITWQZSA-N 0 0 422.506 4.124 50 30 HIEARN Cc1noc(C)c1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000048333237 568439394 /nfs/dbraw/zinc/43/93/94/568439394.db2.gz SYRJAZASUOQUCP-UHFFFAOYSA-N 0 0 420.416 4.410 50 30 HIEARN C=CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000000664833 568460297 /nfs/dbraw/zinc/46/02/97/568460297.db2.gz DBQJWFWTFGCSLS-ZROIWOOFSA-N 0 0 407.651 4.441 50 30 HIEARN CCOC(=O)CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)c1C#N ZINC000000663809 568460351 /nfs/dbraw/zinc/46/03/51/568460351.db2.gz JCKKUKMMDIAXPR-UHFFFAOYSA-N 0 0 424.400 4.413 50 30 aggregator HIEARN C=CCNC(=S)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2CC ZINC000012323652 568471526 /nfs/dbraw/zinc/47/15/26/568471526.db2.gz YXOLJHXUZSMSHZ-UHFFFAOYSA-N 0 0 412.588 4.228 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 ZINC000002882476 568509734 /nfs/dbraw/zinc/50/97/34/568509734.db2.gz DXDFSTMCCFSCIL-IBGZPJMESA-N 0 0 408.483 4.337 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 ZINC000002882477 568510146 /nfs/dbraw/zinc/51/01/46/568510146.db2.gz DXDFSTMCCFSCIL-LJQANCHMSA-N 0 0 408.483 4.337 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC)Nc1ccccc1-2 ZINC000002882570 568510633 /nfs/dbraw/zinc/51/06/33/568510633.db2.gz AGDUYNRUAKAUBG-SFHVURJKSA-N 0 0 423.454 4.237 50 30 HIEARN C=CCn1c(SCCOc2ccccc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000002868425 568511245 /nfs/dbraw/zinc/51/12/45/568511245.db2.gz ZBOOGHZGEIJRFM-QGZVFWFLSA-N 0 0 408.527 4.126 50 30 HIEARN Cc1nn(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000000845138 568539347 /nfs/dbraw/zinc/53/93/47/568539347.db2.gz WAODQXBPWOLQDT-ZDUSSCGKSA-N 0 0 415.519 4.131 50 30 HIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccs2)c1 ZINC000094979095 568593308 /nfs/dbraw/zinc/59/33/08/568593308.db2.gz OZVBBNVODJSDTI-HXUWFJFHSA-N 0 0 421.522 4.230 50 30 HIEARN C=CCn1c2ccccc2c2nnc(Sc3ccc4nsnc4c3[N+](=O)[O-])nc21 ZINC000020442293 568607722 /nfs/dbraw/zinc/60/77/22/568607722.db2.gz YRVIEJRTXFPSST-UHFFFAOYSA-N 0 0 421.467 4.230 50 30 HIEARN CC(C)N(C[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000040152832 568625570 /nfs/dbraw/zinc/62/55/70/568625570.db2.gz OTBWTGZITCQDOU-KRWDZBQOSA-N 0 0 402.495 4.328 50 30 HIEARN CC(C)(C)c1ccc(-c2nn3c(SCC#N)nc4ccccc4c3nc2=O)cc1 ZINC000095469556 568625846 /nfs/dbraw/zinc/62/58/46/568625846.db2.gz NQYCDLBFVZULBL-UHFFFAOYSA-N 0 0 401.495 4.218 50 30 HIEARN N#Cc1cnn2c1N(C(=O)CCc1ccc(F)cc1)[C@H](C1CC1)C[C@@H]2C(F)(F)F ZINC000020607958 568635730 /nfs/dbraw/zinc/63/57/30/568635730.db2.gz DMUQJKGFZQOSHR-DLBZAZTESA-N 0 0 406.383 4.145 50 30 HIEARN C#CCSc1cccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@@H]2CCCO2)c1 ZINC000096011127 568683918 /nfs/dbraw/zinc/68/39/18/568683918.db2.gz HAFMJAUYIMWJPQ-SFHVURJKSA-N 0 0 420.538 4.205 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3F)C2)cc1 ZINC000012389376 568691231 /nfs/dbraw/zinc/69/12/31/568691231.db2.gz JSILQWHOQBESMV-RBZFPXEDSA-N 0 0 406.417 4.197 50 30 HIEARN CC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000012402666 568710167 /nfs/dbraw/zinc/71/01/67/568710167.db2.gz NZBDHGYNAKFCTB-FQEVSTJZSA-N 0 0 414.468 4.022 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccccc3OC)C2)cc1 ZINC000012407970 568711747 /nfs/dbraw/zinc/71/17/47/568711747.db2.gz KUIQYYNVZGPOTD-SPLOXXLWSA-N 0 0 418.453 4.066 50 30 HIEARN O=C1c2cccc3cccc(c32)C(=O)N1OS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002968093 568726796 /nfs/dbraw/zinc/72/67/96/568726796.db2.gz IGGAAEGQCQGXBC-UHFFFAOYSA-N 0 0 422.245 4.063 50 30 HIEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000005787849 568733194 /nfs/dbraw/zinc/73/31/94/568733194.db2.gz LJQHGEDNPQKBDF-INIZCTEOSA-N 0 0 406.225 4.412 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000005800049 568735224 /nfs/dbraw/zinc/73/52/24/568735224.db2.gz APMZFGFOTJUNRY-HXUWFJFHSA-N 0 0 404.397 4.012 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 ZINC000000937263 568751814 /nfs/dbraw/zinc/75/18/14/568751814.db2.gz GKKBPCHACKETSW-SJKOYZFVSA-N 0 0 406.511 4.097 50 30 HIEARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1C#N ZINC000001017062 568762982 /nfs/dbraw/zinc/76/29/82/568762982.db2.gz DTRCJMKHZKQJBD-JTQLQIEISA-N 0 0 424.092 4.489 50 30 HIEARN C=CCc1cccc2cc(C(=O)N3CCN(c4ccc(C)c(Cl)c4)CC3)c(=O)oc21 ZINC000001074398 568766997 /nfs/dbraw/zinc/76/69/97/568766997.db2.gz MMGVFAZNUORDGF-UHFFFAOYSA-N 0 0 422.912 4.446 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000001102377 568771379 /nfs/dbraw/zinc/77/13/79/568771379.db2.gz ITFPBPRJWUZEDK-OAQYLSRUSA-N 0 0 417.392 4.337 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001102729 568771656 /nfs/dbraw/zinc/77/16/56/568771656.db2.gz LSOCVAWBDBXJPM-GOSISDBHSA-N 0 0 406.419 4.439 50 30 HIEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CCCC3=O)s1 ZINC000002504223 568777522 /nfs/dbraw/zinc/77/75/22/568777522.db2.gz RORUKYVCEFATDV-ZDUSSCGKSA-N 0 0 415.515 4.483 50 30 HIEARN N#CCCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(F)cc1 ZINC000002624086 568788622 /nfs/dbraw/zinc/78/86/22/568788622.db2.gz RBVWZJTXNNRWJS-UHFFFAOYSA-N 0 0 416.459 4.383 50 30 HIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3ccc(Cl)c(C)c3)o2)cnn1C ZINC000002798197 568810537 /nfs/dbraw/zinc/81/05/37/568810537.db2.gz IJCOEJZGEJYPNM-BHGWPJFGSA-N 0 0 414.893 4.444 50 30 HIEARN C=CCNC(=S)N=NCc1ccccc1OCc1ccc(Br)cc1 ZINC000002888683 568814764 /nfs/dbraw/zinc/81/47/64/568814764.db2.gz HJFJWQHTXWZURS-CIAFOILYSA-N 0 0 404.333 4.423 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4C[C@H]5O[C@@]5(C5(C)OCCO5)[C@]4(C)CC[C@@H]32)C1 ZINC000257355963 568817921 /nfs/dbraw/zinc/81/79/21/568817921.db2.gz DXUKESFRWHAYGS-QSZSUORZSA-N 0 0 416.558 4.391 50 30 HIEARN COc1cc(-c2ncnn2-c2sc3c(c2C#N)CCCCC3)cc(OC)c1OC ZINC000001196919 568823028 /nfs/dbraw/zinc/82/30/28/568823028.db2.gz FGFSALWQRZNZPQ-UHFFFAOYSA-N 0 0 410.499 4.162 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1nnc(-c3ccccc3)s1)CCCC2 ZINC000001216945 568824876 /nfs/dbraw/zinc/82/48/76/568824876.db2.gz OICWNNKDRFDODX-UHFFFAOYSA-N 0 0 407.524 4.081 50 30 HIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3OC)n2)cc1 ZINC000005880192 568827770 /nfs/dbraw/zinc/82/77/70/568827770.db2.gz WIIAWRJOAKWFFU-UHFFFAOYSA-N 0 0 405.479 4.368 50 30 HIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000005887519 568827899 /nfs/dbraw/zinc/82/78/99/568827899.db2.gz XEDNLLASPXYBHX-QFIPXVFZSA-N 0 0 417.436 4.352 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006015174 568835408 /nfs/dbraw/zinc/83/54/08/568835408.db2.gz SNUNIUSLSOLNJN-JOCHJYFZSA-N 0 0 423.509 4.433 50 30 HIEARN COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000006035786 568836196 /nfs/dbraw/zinc/83/61/96/568836196.db2.gz AVBFBDXGLGFBDR-LBPRGKRZSA-N 0 0 411.512 4.281 50 30 HIEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000002055189 568843982 /nfs/dbraw/zinc/84/39/82/568843982.db2.gz LGXYGOKELYHROK-FQEVSTJZSA-N 0 0 401.478 4.009 50 30 HIEARN CCN1CCCc2cc(/C=N/NC(=S)Nc3ccc(OC)c(Cl)c3)ccc21 ZINC000003036781 568845726 /nfs/dbraw/zinc/84/57/26/568845726.db2.gz KYEYOBXTCVETMH-LPYMAVHISA-N 0 0 402.951 4.442 50 30 HIEARN C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccccc1F ZINC000003284180 568851838 /nfs/dbraw/zinc/85/18/38/568851838.db2.gz DRMCQSWACSSRFP-UHFFFAOYSA-N 0 0 412.490 4.393 50 30 HIEARN C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Br ZINC000003314958 568853843 /nfs/dbraw/zinc/85/38/43/568853843.db2.gz UKFPMYGBISDIDJ-UHFFFAOYSA-N 0 0 419.344 4.237 50 30 HIEARN COC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000003088941 568854586 /nfs/dbraw/zinc/85/45/86/568854586.db2.gz PTKKBJTVPMWOEH-OEAKJJBVSA-N 0 0 404.378 4.351 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(O)cc2)CC(=O)O3)C1=O ZINC000263585492 568878506 /nfs/dbraw/zinc/87/85/06/568878506.db2.gz JGLIHGSIUBTIAW-UZQMFHLOSA-N 0 0 414.413 4.458 50 30 HIEARN C=CCn1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000334156943 568885637 /nfs/dbraw/zinc/88/56/37/568885637.db2.gz VEQDJGIPDSFGIG-UHFFFAOYSA-O 0 0 420.518 4.142 50 30 HIEARN CCc1ccc(OCc2cc(C=NNS(=O)(=O)c3ccccc3)ccc2OC)cc1 ZINC000012649235 568886026 /nfs/dbraw/zinc/88/60/26/568886026.db2.gz NCGYWSQJIOTLTQ-UHFFFAOYSA-N 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C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1ccc(F)cc1)CC2 ZINC000064754506 569089656 /nfs/dbraw/zinc/08/96/56/569089656.db2.gz UPWKUOLFFUMHIU-UHFFFAOYSA-N 0 0 404.441 4.224 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OC)c2)cc1 ZINC000006720096 569098064 /nfs/dbraw/zinc/09/80/64/569098064.db2.gz UQWDJJVOHGGINJ-NRFANRHFSA-N 0 0 419.433 4.075 50 30 HIEARN Cc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2)C1=O ZINC000006756082 569112434 /nfs/dbraw/zinc/11/24/34/569112434.db2.gz SCCCBUWBVOIDAP-DAFNUICNSA-N 0 0 400.507 4.233 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1 ZINC000006786631 569121339 /nfs/dbraw/zinc/12/13/39/569121339.db2.gz NJGCSPASSSDPIT-HXUWFJFHSA-N 0 0 407.397 4.206 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000006786779 569121789 /nfs/dbraw/zinc/12/17/89/569121789.db2.gz YKDIIOPGLDFYDA-OAQYLSRUSA-N 0 0 419.433 4.075 50 30 HIEARN CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006812725 569136642 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402.425 4.401 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(C)cc1 ZINC000254761015 854214006 /nfs/dbraw/zinc/21/40/06/854214006.db2.gz OIHGJAXRAVVLHC-FQEVSTJZSA-N 0 0 421.522 4.344 50 30 HIEARN CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000254836908 854214876 /nfs/dbraw/zinc/21/48/76/854214876.db2.gz VLOBRYZPKMZHCS-UWJYYQICSA-N 0 0 417.600 4.217 50 30 HIEARN CCN=c1scc(-c2ccc(Cl)cc2)n1N=Cc1cc(OC)c(O)c(OC)c1 ZINC000263625926 854281101 /nfs/dbraw/zinc/28/11/01/854281101.db2.gz RGRXQSOAYVCHFU-UHFFFAOYSA-N 0 0 417.918 4.396 50 30 HIEARN CC(C=CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1 ZINC000002070496 132248754 /nfs/dbraw/zinc/24/87/54/132248754.db2.gz JTLONAYUOSSFTI-VAQLEAJTSA-N 0 0 405.550 4.353 50 30 HIEARN COc1ccc(N2CCN(c3ccc(NC(=O)C4CCCCC4)cc3C#N)CC2)cc1 ZINC000002944718 132260339 /nfs/dbraw/zinc/26/03/39/132260339.db2.gz CXVYOXRNBIRROT-UHFFFAOYSA-N 0 0 418.541 4.412 50 30 aggregator HIEARN Cc1ccccc1N1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2S1(=O)=O ZINC000007615814 132325166 /nfs/dbraw/zinc/32/51/66/132325166.db2.gz SWHWBIVAVZHJAX-UHFFFAOYSA-N 0 0 403.463 4.202 50 30 HIEARN C#CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2C)c2cccc(Cl)c21 ZINC000032092267 518266249 /nfs/dbraw/zinc/26/62/49/518266249.db2.gz APJPSBHROBKIAX-HSZRJFAPSA-N 0 0 416.868 4.092 50 30 HIEARN CC(N=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1c[nH]c2ccccc21 ZINC000015012108 518467599 /nfs/dbraw/zinc/46/75/99/518467599.db2.gz HOBXQDZIPZFMNJ-OGLMXYFKSA-N 0 0 418.549 4.170 50 30 HIEARN C=CCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc21 ZINC000032593498 518835535 /nfs/dbraw/zinc/83/55/35/518835535.db2.gz JPBSCJYBJYRONT-UHFFFAOYSA-N 0 0 409.829 4.159 50 30 HIEARN C=CCN1c2ccc(C(=O)Nc3ccccc3F)cc2-c2ccccc2S1(=O)=O ZINC000033271915 518876215 /nfs/dbraw/zinc/87/62/15/518876215.db2.gz UAEWUDXNPZXPRF-UHFFFAOYSA-N 0 0 408.454 4.440 50 30 HIEARN C=CCNC(=O)Cc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2ccccc2)cc1 ZINC000037556489 518901583 /nfs/dbraw/zinc/90/15/83/518901583.db2.gz YOUASCHURLOEMK-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/25/95/10/519259510.db2.gz BFIPSTUPERMRDL-CQSZACIVSA-N 0 0 424.555 4.090 50 30 HIEARN CCNc1c2ccccc2oc(=O)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000028048981 520256872 /nfs/dbraw/zinc/25/68/72/520256872.db2.gz IRINIAUDDGMSFK-HNNXBMFYSA-N 0 0 405.454 4.174 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000001104389 520530264 /nfs/dbraw/zinc/53/02/64/520530264.db2.gz CFVVGMHKYJXWHF-NRFANRHFSA-N 0 0 419.477 4.120 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc3c(c2)OCCO3)C1=O ZINC000036258081 520533286 /nfs/dbraw/zinc/53/32/86/520533286.db2.gz JNTBODMATHQFFJ-CPNJWEJPSA-N 0 0 423.490 4.310 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cc(C)ccc2O)C1=O ZINC000036257833 520535456 /nfs/dbraw/zinc/53/54/56/520535456.db2.gz RTHGCLKWZPSNBX-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(O)c(O)c2)C1=O ZINC000036258202 520536961 /nfs/dbraw/zinc/53/69/61/520536961.db2.gz XCRBMVMLCVUYGT-CXUHLZMHSA-N 0 0 417.870 4.295 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2ccc(OC)cc2O)C1=O ZINC000036258175 520539645 /nfs/dbraw/zinc/53/96/45/520539645.db2.gz KHDDFZMNWUJOTG-WOJGMQOQSA-N 0 0 411.479 4.253 50 30 HIEARN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000096792637 521738507 /nfs/dbraw/zinc/73/85/07/521738507.db2.gz UWGOUPYWZJXSQI-QPEQYQDCSA-N 0 0 422.525 4.097 50 30 HIEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000036611417 521794946 /nfs/dbraw/zinc/79/49/46/521794946.db2.gz WGZGBNORHFPKNJ-QPJQQBGISA-N 0 0 414.384 4.309 50 30 HIEARN COc1cc(/C=C/C(=O)c2ccccc2-n2cccn2)cc(OC)c1OC(F)F ZINC000040146072 521941014 /nfs/dbraw/zinc/94/10/14/521941014.db2.gz ZFQZOORFSWFKEK-CMDGGOBGSA-N 0 0 400.381 4.387 50 30 HIEARN COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000100815558 521948578 /nfs/dbraw/zinc/94/85/78/521948578.db2.gz VVWJGAKWSAXKND-VIZOYTHASA-N 0 0 420.234 4.492 50 30 HIEARN COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cccc(F)c1 ZINC000020033940 521948956 /nfs/dbraw/zinc/94/89/56/521948956.db2.gz LCXIRITYQHUHGI-VIZOYTHASA-N 0 0 420.234 4.492 50 30 HIEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000019859107 522870599 /nfs/dbraw/zinc/87/05/99/522870599.db2.gz BYAUPCVFVJCQOO-DHDCSXOGSA-N 0 0 405.281 4.361 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000027533248 522893937 /nfs/dbraw/zinc/89/39/37/522893937.db2.gz AHESJQLAIHIDEC-HNAYVOBHSA-N 0 0 409.869 4.198 50 30 HIEARN COC(=O)C1=C(Nc2ccccc2C)SC(=Cc2cc(OC)cc(OC)c2)C1=O ZINC000036257264 522897666 /nfs/dbraw/zinc/89/76/66/522897666.db2.gz MRPPJZCJBSECLI-WOJGMQOQSA-N 0 0 411.479 4.166 50 30 HIEARN COc1cc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCC(C)C ZINC000100791278 522925950 /nfs/dbraw/zinc/92/59/50/522925950.db2.gz MPRRNXRRGLPWSV-KRWDZBQOSA-N 0 0 406.434 4.094 50 30 HIEARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)ccc1OCCC(C)C ZINC000001460240 522957573 /nfs/dbraw/zinc/95/75/73/522957573.db2.gz RBWUPSSMPKSVMN-NRFANRHFSA-N 0 0 410.518 4.370 50 30 HIEARN COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccncc3)C4)C2=O)cc1 ZINC000057165214 523411610 /nfs/dbraw/zinc/41/16/10/523411610.db2.gz SMWZUDWTTQZTOT-SSDVNMTOSA-N 0 0 414.461 4.367 50 30 HIEARN COc1ccc(C(=O)C=CNc2ccc(I)cc2)cc1OC ZINC000000662323 523536077 /nfs/dbraw/zinc/53/60/77/523536077.db2.gz BJASLAIWTRTCIG-MDZDMXLPSA-N 0 0 409.223 4.117 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1nc(Cl)ccc1Cl ZINC000032638795 524034508 /nfs/dbraw/zinc/03/45/08/524034508.db2.gz BFKNIXVDZMDZPN-YBEGLDIGSA-N 0 0 405.281 4.426 50 30 HIEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000020973805 524200842 /nfs/dbraw/zinc/20/08/42/524200842.db2.gz PWBUNDWRRIFMQK-CYBMUJFWSA-N 0 0 410.465 4.446 50 30 HIEARN COc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(C)cc3)ccc2C1=O ZINC000009420219 524322611 /nfs/dbraw/zinc/32/26/11/524322611.db2.gz IJZRVKOQGJHHNV-XKZIYDEJSA-N 0 0 422.458 4.388 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2c(C)nn(C)c2C)cc1 ZINC000032972401 524377245 /nfs/dbraw/zinc/37/72/45/524377245.db2.gz CMUBNEAXDNDQRY-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NN=C2c3ccccc3NC2=O)cc1 ZINC000023306014 524534957 /nfs/dbraw/zinc/53/49/57/524534957.db2.gz FUOXUCRWVBLWEH-KRWDZBQOSA-N 0 0 412.493 4.206 50 30 HIEARN Cc1cc(C)n2nc(CCCNC(=O)Nc3ccc(Cl)c(Cl)c3)c(C#N)c2n1 ZINC000032937723 524570755 /nfs/dbraw/zinc/57/07/55/524570755.db2.gz ZBZXGDZLPNFXJJ-UHFFFAOYSA-N 0 0 417.300 4.279 50 30 HIEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(O)cc2)c1 ZINC000064874139 524664146 /nfs/dbraw/zinc/66/41/46/524664146.db2.gz VIYSQBXYZGXSKJ-JOCHJYFZSA-N 0 0 414.465 4.171 50 30 HIEARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)NC3(C#N)CCCCC3)s2)c1 ZINC000013137490 524703745 /nfs/dbraw/zinc/70/37/45/524703745.db2.gz SISIWJQWPQQURU-AWEZNQCLSA-N 0 0 401.561 4.413 50 30 HIEARN Cc1ccccc1/C=C/C(=O)c1cc(Br)cc(Br)c(=O)c1O ZINC000008397924 525039680 /nfs/dbraw/zinc/03/96/80/525039680.db2.gz IAKJUULSBLYLQT-VOTSOKGWSA-N 0 0 424.088 4.482 50 30 HIEARN C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CC(=O)NCCC#N ZINC000036735205 525116671 /nfs/dbraw/zinc/11/66/71/525116671.db2.gz ATGKMRKYLNBTIH-MAUKXSAKSA-N 0 0 406.917 4.360 50 30 HIEARN COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)C4CC4)c3C)C1=O)cn2C ZINC000009422620 525598447 /nfs/dbraw/zinc/59/84/47/525598447.db2.gz SHMBLCSIZQASJJ-UFFVCSGVSA-N 0 0 403.434 4.427 50 30 HIEARN C[C@@H](Nc1ccccc1C(=O)NCCc1ccccc1)C(=O)Nc1sccc1C#N ZINC000032797167 525719594 /nfs/dbraw/zinc/71/95/94/525719594.db2.gz IPFOKGYGSGNFRO-MRXNPFEDSA-N 0 0 418.522 4.031 50 30 HIEARN COc1cccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc3C2=O)c1 ZINC000009530951 525767161 /nfs/dbraw/zinc/76/71/61/525767161.db2.gz UKWJOKQUPCSZGJ-XKZIYDEJSA-N 0 0 422.458 4.388 50 30 HIEARN C[C@H](O)[C@H](NC(=O)c1ccccc1Nc1ccc(F)cc1)C(=O)OCc1ccccc1 ZINC000328592304 525839967 /nfs/dbraw/zinc/83/99/67/525839967.db2.gz XRZPVPOKZXEWIG-AOMKIAJQSA-N 0 0 422.456 4.367 50 30 HIEARN C[C@H](OC(=O)c1ccccc1OCc1ccc(F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000010587783 525895016 /nfs/dbraw/zinc/89/50/16/525895016.db2.gz GZAKAPQNWRYXMQ-KRWDZBQOSA-N 0 0 424.472 4.293 50 30 HIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000040051149 526277383 /nfs/dbraw/zinc/27/73/83/526277383.db2.gz SQVOUNCBPBTHDZ-UHFFFAOYSA-N 0 0 404.518 4.061 50 30 HIEARN N#CC1(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CCCCC1 ZINC000007790763 526436935 /nfs/dbraw/zinc/43/69/35/526436935.db2.gz FNMYIEVTWILUDQ-UHFFFAOYSA-N 0 0 420.542 4.196 50 30 HIEARN N#CCCn1cc([C@H]2CC(c3ccc(Br)cc3)=NNC2=O)c2ccccc21 ZINC000016844430 526467692 /nfs/dbraw/zinc/46/76/92/526467692.db2.gz TZBFRAKIZWHGOP-QGZVFWFLSA-N 0 0 421.298 4.325 50 30 HIEARN N#Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000032829551 526578016 /nfs/dbraw/zinc/57/80/16/526578016.db2.gz BZDHEGXTUADUHS-UHFFFAOYSA-N 0 0 423.473 4.051 50 30 HIEARN Cc1oc(-c2cccs2)nc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000032777911 526748594 /nfs/dbraw/zinc/74/85/94/526748594.db2.gz IFAYMOQBWAIIFP-UHFFFAOYSA-N 0 0 421.482 4.153 50 30 HIEARN O=c1c(C=[NH+]Cc2ccncc2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000096026164 527449878 /nfs/dbraw/zinc/44/98/78/527449878.db2.gz MNHBJSHWYAGOMY-MFKUBSTISA-N 0 0 411.490 4.456 50 30 HIEARN O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccccc1F ZINC000252679252 527465951 /nfs/dbraw/zinc/46/59/51/527465951.db2.gz JYIOYUIOTDDZHW-JNESKFGDSA-N 0 0 414.396 4.496 50 30 HIEARN O=C(/C=C/N1CCN(Cc2ccccc2Cl)CC1)c1ccc(OC(F)F)cc1 ZINC000033796083 527596302 /nfs/dbraw/zinc/59/63/02/527596302.db2.gz XIVIADOGZLSAQJ-MDZDMXLPSA-N 0 0 406.860 4.456 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(F)c1)Nc1ccc(C)cc1C ZINC000032973569 527623657 /nfs/dbraw/zinc/62/36/57/527623657.db2.gz CZVXTRZAZPPTQM-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1C)Nc1cc(C)ccc1C ZINC000032972670 527629495 /nfs/dbraw/zinc/62/94/95/527629495.db2.gz QKBMWRRISJLTLC-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN COc1ccc(Cc2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000012062836 536534654 /nfs/dbraw/zinc/53/46/54/536534654.db2.gz GSKRHUCFIGHJDA-UHFFFAOYSA-N 0 0 408.889 4.126 50 30 HIEARN COc1ccc(N2CCN(c3oc(/C=C/c4ccccc4OC)nc3C#N)CC2)cc1 ZINC000007275607 536704136 /nfs/dbraw/zinc/70/41/36/536704136.db2.gz LGVLWYWSMNENJP-KPKJPENVSA-N 0 0 416.481 4.060 50 30 HIEARN CC(C)(C)c1cc(Br)cc(/C=N/N2C(=O)c3ccccc3C2=O)c1O ZINC000000676048 557052663 /nfs/dbraw/zinc/05/26/63/557052663.db2.gz IXTKLHUISWZESV-UFFVCSGVSA-N 0 0 401.260 4.082 50 30 HIEARN CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000000726509 557073276 /nfs/dbraw/zinc/07/32/76/557073276.db2.gz MYRYPBUEKAPHIA-OAQYLSRUSA-N 0 0 413.514 4.347 50 30 HIEARN COc1ccc(/N=C/c2c(Nc3ccc(OC)cc3)nc3ccccn3c2=O)cc1 ZINC000000911108 557116282 /nfs/dbraw/zinc/11/62/82/557116282.db2.gz DBZSHJLAPLDFKY-BUVRLJJBSA-N 0 0 400.438 4.206 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C#Cc2ccccc2)s1 ZINC000001030534 557146931 /nfs/dbraw/zinc/14/69/31/557146931.db2.gz BRNSQLZVQMBEHM-QHCPKHFHSA-N 0 0 403.503 4.289 50 30 HIEARN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C ZINC000001106140 557180366 /nfs/dbraw/zinc/18/03/66/557180366.db2.gz NJXGNZWDGHTBIH-UHFFFAOYSA-N 0 0 402.406 4.474 50 30 HIEARN CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001219738 557248010 /nfs/dbraw/zinc/24/80/10/557248010.db2.gz ILOJOZRNGPJRRN-INIZCTEOSA-N 0 0 406.316 4.103 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F ZINC000001438560 557263317 /nfs/dbraw/zinc/26/33/17/557263317.db2.gz IMICYJXCLONDQP-NPMXOYFQSA-N 0 0 421.468 4.369 50 30 HIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000001473653 557269336 /nfs/dbraw/zinc/26/93/36/557269336.db2.gz IXDHPBXLAGCMAV-AWQFTUOYSA-N 0 0 409.298 4.440 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC ZINC000002069330 557306634 /nfs/dbraw/zinc/30/66/34/557306634.db2.gz BSZSYQPZVQXOJW-HXUWFJFHSA-N 0 0 411.498 4.037 50 30 HIEARN O=S(=O)(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000002151902 557319612 /nfs/dbraw/zinc/31/96/12/557319612.db2.gz ODTKNOQMVUOGCZ-UHFFFAOYSA-N 0 0 419.293 4.481 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000002190436 557325141 /nfs/dbraw/zinc/32/51/41/557325141.db2.gz HGFAJJZBTMFLHG-LJQANCHMSA-N 0 0 407.482 4.229 50 30 HIEARN O=C(Nc1ccccc1)[C@@H]1CC(=O)NC(Nc2ccc(Oc3ccccc3)cc2)=N1 ZINC000002208578 557326971 /nfs/dbraw/zinc/32/69/71/557326971.db2.gz AOOUPFHAFJGAJT-FQEVSTJZSA-N 0 0 400.438 4.424 50 30 HIEARN CCCCN1C(=O)[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002265437 557332968 /nfs/dbraw/zinc/33/29/68/557332968.db2.gz FBCOARIPXMQFSN-OAQYLSRUSA-N 0 0 422.447 4.003 50 30 HIEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002322012 557337138 /nfs/dbraw/zinc/33/71/38/557337138.db2.gz FRHHWAXXQQJXPQ-AWQFTUOYSA-N 0 0 407.282 4.209 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000002757854 557380640 /nfs/dbraw/zinc/38/06/40/557380640.db2.gz FYAQDBGFTVBLGE-QHCPKHFHSA-N 0 0 421.468 4.416 50 30 HIEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002801375 557390851 /nfs/dbraw/zinc/39/08/51/557390851.db2.gz PFFSSAAWKDTQQT-NRFANRHFSA-N 0 0 423.513 4.211 50 30 HIEARN CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C)c(C)c1 ZINC000002849993 557404086 /nfs/dbraw/zinc/40/40/86/557404086.db2.gz FKRPSAZSCNREIM-YDZHTSKRSA-N 0 0 405.951 4.233 50 30 HIEARN O=C(Nc1nc2ccccc2s1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000003029123 557442682 /nfs/dbraw/zinc/44/26/82/557442682.db2.gz AFPIRIQWPFEQKB-LBPRGKRZSA-N 0 0 424.244 4.430 50 30 HIEARN CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)ccc1O ZINC000004436357 557555335 /nfs/dbraw/zinc/55/53/35/557555335.db2.gz BJORXDNTJYJSGB-GOSISDBHSA-N 0 0 414.531 4.153 50 30 HIEARN COc1ccc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000004474203 557557015 /nfs/dbraw/zinc/55/70/15/557557015.db2.gz QUCCLKJZTWKLNY-KPSZGOFPSA-N 0 0 400.609 4.276 50 30 HIEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)s1 ZINC000004503277 557560669 /nfs/dbraw/zinc/56/06/69/557560669.db2.gz CWXZRLOBCNAWDL-DEDYPNTBSA-N 0 0 413.480 4.158 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000004536212 557564438 /nfs/dbraw/zinc/56/44/38/557564438.db2.gz UJDDDRZVSWPRIS-QHCPKHFHSA-N 0 0 407.466 4.178 50 30 HIEARN CCN=C(Nc1ccc(C)c(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000004611590 557572227 /nfs/dbraw/zinc/57/22/27/557572227.db2.gz JSGSBCOYRBKSDG-QGZVFWFLSA-N 0 0 401.919 4.311 50 30 HIEARN O=[N+]([O-])c1ccccc1N=NCc1ccc(CN=Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004754230 557593122 /nfs/dbraw/zinc/59/31/22/557593122.db2.gz VKZLDUCLLMAMIC-JFMUQQRKSA-N 0 0 404.386 4.395 50 30 HIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)c1 ZINC000004916209 557613904 /nfs/dbraw/zinc/61/39/04/557613904.db2.gz VOZGZHMISJGVJP-KSSFIOAISA-N 0 0 411.885 4.362 50 30 HIEARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000004975916 557619418 /nfs/dbraw/zinc/61/94/18/557619418.db2.gz BWQGTTRTIQSVAH-GFCCVEGCSA-N 0 0 420.922 4.150 50 30 HIEARN COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC(C)C)cc2)C3)ccc1O ZINC000004987409 557621645 /nfs/dbraw/zinc/62/16/45/557621645.db2.gz UHFCYJHNCXGLCS-IEBWSBKVSA-N 0 0 421.493 4.192 50 30 HIEARN Cc1ccc(NC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 ZINC000004998575 557623129 /nfs/dbraw/zinc/62/31/29/557623129.db2.gz YHNSMKOTHZPTPK-UHFFFAOYSA-N 0 0 409.467 4.459 50 30 HIEARN NC(=S)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000005042439 557628800 /nfs/dbraw/zinc/62/88/00/557628800.db2.gz WCJMCOGCFXOIDL-LSFURLLWSA-N 0 0 404.326 4.072 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000005409235 557651890 /nfs/dbraw/zinc/65/18/90/557651890.db2.gz MUPYKIHCSRDTRG-FQEVSTJZSA-N 0 0 406.388 4.138 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000005595678 557664106 /nfs/dbraw/zinc/66/41/06/557664106.db2.gz TXDXCQBIJMNNOL-LJQANCHMSA-N 0 0 413.857 4.122 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000006813070 557724448 /nfs/dbraw/zinc/72/44/48/557724448.db2.gz ANZZPDCDQGPTDD-OAQYLSRUSA-N 0 0 402.425 4.308 50 30 HIEARN CCCCCCCCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008396627 557785816 /nfs/dbraw/zinc/78/58/16/557785816.db2.gz XTXQAZVLRHJSLG-UHFFFAOYSA-N 0 0 405.587 4.190 50 30 HIEARN COc1cc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)ccc1O ZINC000008468771 557791691 /nfs/dbraw/zinc/79/16/91/557791691.db2.gz YKLZCDAKAMRSBP-FQEVSTJZSA-N 0 0 401.462 4.338 50 30 HIEARN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 ZINC000004335100 558261908 /nfs/dbraw/zinc/26/19/08/558261908.db2.gz STQDLGGLDNEWAB-UHFFFAOYSA-N 0 0 421.504 4.385 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Br)cc1 ZINC000019804571 558285791 /nfs/dbraw/zinc/28/57/91/558285791.db2.gz NCGNAYMICBDXBF-QGZVFWFLSA-N 0 0 410.267 4.191 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCS(=O)(=O)Cc3ccccc3)sc2C1 ZINC000010687027 558397250 /nfs/dbraw/zinc/39/72/50/558397250.db2.gz RJTXQLUUEBXTIW-OAHLLOKOSA-N 0 0 416.568 4.078 50 30 HIEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3cccc(F)c3)S2)cc1 ZINC000012412091 558401214 /nfs/dbraw/zinc/40/12/14/558401214.db2.gz RLCAPVHOLGBQQZ-YQMDHOPXSA-N 0 0 415.490 4.205 50 30 HIEARN N#CCN(CC#N)C(=O)/C=C/c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000072059704 558444990 /nfs/dbraw/zinc/44/49/90/558444990.db2.gz FXXRWSITOLZHKP-ZHACJKMWSA-N 0 0 415.884 4.141 50 30 HIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005607675 558488812 /nfs/dbraw/zinc/48/88/12/558488812.db2.gz DDQKBSIXLKCBKA-QFIPXVFZSA-N 0 0 405.473 4.463 50 30 HIEARN COc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccccc2)cc1 ZINC000013575169 558543243 /nfs/dbraw/zinc/54/32/43/558543243.db2.gz FOLOLNAGSIZBFH-FQEVSTJZSA-N 0 0 424.460 4.331 50 30 HIEARN C=CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000004507426 558621524 /nfs/dbraw/zinc/62/15/24/558621524.db2.gz UBPNSNDLVDOMRG-AVSIYSEJSA-N 0 0 411.299 4.078 50 30 HIEARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000014121723 558622531 /nfs/dbraw/zinc/62/25/31/558622531.db2.gz PGCCSVJDJQRIOA-ZIAGYGMSSA-N 0 0 409.939 4.381 50 30 HIEARN Cc1cc(C(=O)COc2ccc(CC#N)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000025053983 558629039 /nfs/dbraw/zinc/62/90/39/558629039.db2.gz IAUFGUKWPSQWGP-NRFANRHFSA-N 0 0 416.477 4.273 50 30 HIEARN N#Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 ZINC000026089807 558655131 /nfs/dbraw/zinc/65/51/31/558655131.db2.gz ZZHAEARWXCCHQK-UHFFFAOYSA-N 0 0 418.503 4.050 50 30 HIEARN CCOc1cc(/C=N/O)cc(I)c1OCc1ccc(C)cc1 ZINC000016688417 558799932 /nfs/dbraw/zinc/79/99/32/558799932.db2.gz ZNIJEXKRKZWWPW-VXLYETTFSA-N 0 0 411.239 4.385 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3cccc(O)c3)C12 ZINC000017177823 558824996 /nfs/dbraw/zinc/82/49/96/558824996.db2.gz MOACSBRGNFKMDM-HXUWFJFHSA-N 0 0 422.485 4.437 50 30 HIEARN C=CCOc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004593336 558831216 /nfs/dbraw/zinc/83/12/16/558831216.db2.gz OPUNSNHLLOEPNQ-UNMCSNQZSA-N 0 0 416.521 4.445 50 30 HIEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000004598224 558834074 /nfs/dbraw/zinc/83/40/74/558834074.db2.gz MGUOUABJBSHTAT-GQCTYLIASA-N 0 0 400.814 4.368 50 30 HIEARN CN1CCN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)CC1 ZINC000033027209 558849650 /nfs/dbraw/zinc/84/96/50/558849650.db2.gz RRVDZXBHHDYIEV-UHFFFAOYSA-N 0 0 414.465 4.290 50 30 HIEARN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c1 ZINC000013653807 558850949 /nfs/dbraw/zinc/85/09/49/558850949.db2.gz MOACJKZREYOZJW-VUZLNAKASA-N 0 0 409.482 4.400 50 30 HIEARN COc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)c1 ZINC000013727044 558859839 /nfs/dbraw/zinc/85/98/39/558859839.db2.gz OSXLJEFTAVQSML-JJFYIABZSA-N 0 0 400.434 4.059 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2OC)cc1 ZINC000068752360 558864684 /nfs/dbraw/zinc/86/46/84/558864684.db2.gz HYLRUOFRBPCRLB-JOCHJYFZSA-N 0 0 415.445 4.487 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000019314701 558866955 /nfs/dbraw/zinc/86/69/55/558866955.db2.gz AUSYSTQKLQJNMU-QHCPKHFHSA-N 0 0 403.478 4.407 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000004681353 558893876 /nfs/dbraw/zinc/89/38/76/558893876.db2.gz KADSRHZVUADRQV-COPMAWBXSA-N 0 0 411.527 4.292 50 30 HIEARN CNC(=O)O[C@@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccc(Br)cc3)cc2)O1 ZINC000071769387 558911102 /nfs/dbraw/zinc/91/11/02/558911102.db2.gz PFOCNVBPIJSPTF-ICSRJNTNSA-N 0 0 416.271 4.169 50 30 HIEARN C=CCNC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc(C)cc1)CC2 ZINC000060383005 558953693 /nfs/dbraw/zinc/95/36/93/558953693.db2.gz ZLUHSGLXCPEATO-CYVLTUHYSA-N 0 0 412.489 4.489 50 30 HIEARN COc1cccc2cc([C@@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc21 ZINC000097105897 558993984 /nfs/dbraw/zinc/99/39/84/558993984.db2.gz ZTFRILHDUUWEEH-IBGZPJMESA-N 0 0 404.857 4.466 50 30 HIEARN CCCCNC(=O)N(O)[C@H]1N(/N=C/c2c[nH]c3ccccc23)C(=S)SC1(C)C ZINC000004785405 559063391 /nfs/dbraw/zinc/06/33/91/559063391.db2.gz JOYLDONICZKALT-LTNVFZTJSA-N 0 0 419.576 4.141 50 30 HIEARN CCCCCCCNC(=S)NC(=O)COc1ccc(CC)cc1Br ZINC000097940325 559124460 /nfs/dbraw/zinc/12/44/60/559124460.db2.gz CDWBGOVNBVXVEG-UHFFFAOYSA-N 0 0 415.397 4.351 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ccc([N+](=O)[O-])cc1[C@H]2C1C(=O)CC(C)(C)CC1=O ZINC000100150159 559130771 /nfs/dbraw/zinc/13/07/71/559130771.db2.gz HPRTZYUKPYEWFQ-IBGZPJMESA-N 0 0 411.454 4.288 50 30 HIEARN Cc1ccc(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 ZINC000100547552 559136370 /nfs/dbraw/zinc/13/63/70/559136370.db2.gz XYTTUUGZACDZAR-NKFKGCMQSA-N 0 0 408.504 4.427 50 30 aggregator HIEARN Cc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100553610 559136383 /nfs/dbraw/zinc/13/63/83/559136383.db2.gz BNGIKVUABZUKQY-PGRDOPGGSA-N 0 0 409.526 4.321 50 30 HIEARN C/C(=N/OC(=O)c1ccc(C)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000100939226 559142081 /nfs/dbraw/zinc/14/20/81/559142081.db2.gz GKZDMJOBRMXDFM-QQSMMYNNSA-N 0 0 404.466 4.256 50 30 HIEARN CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)S/C1=N\c1ccc(F)cc1 ZINC000100986758 559142474 /nfs/dbraw/zinc/14/24/74/559142474.db2.gz QQOPXUFHRCOWTP-ADGFTTEDSA-N 0 0 411.502 4.286 50 30 HIEARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccccc1F ZINC000004826330 559154908 /nfs/dbraw/zinc/15/49/08/559154908.db2.gz JYIOYUIOTDDZHW-AENMBQTOSA-N 0 0 414.396 4.496 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)sc2C1 ZINC000014189949 559155420 /nfs/dbraw/zinc/15/54/20/559155420.db2.gz MDYMTRYMSXLKCT-GFCCVEGCSA-N 0 0 409.540 4.407 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N/c1ccc(C(C)=O)cc1 ZINC000103459444 559155937 /nfs/dbraw/zinc/15/59/37/559155937.db2.gz KHRNOUZOQYWBMG-BBJJLJPOSA-N 0 0 423.538 4.486 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N/c1ccc(C(C)=O)cc1 ZINC000103459441 559155959 /nfs/dbraw/zinc/15/59/59/559155959.db2.gz KHRNOUZOQYWBMG-TWMRLEJJSA-N 0 0 423.538 4.486 50 30 HIEARN N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCc1cc(-c2ccco2)on1 ZINC000014253479 559162124 /nfs/dbraw/zinc/16/21/24/559162124.db2.gz WHAVMRHZRWPZAK-UHFFFAOYSA-N 0 0 417.450 4.328 50 30 HIEARN COc1ccc(NC(=O)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F)cc1 ZINC000106884683 559163964 /nfs/dbraw/zinc/16/39/64/559163964.db2.gz XILLHBOWYZLMIV-UHFFFAOYSA-N 0 0 402.188 4.203 50 30 HIEARN N#Cc1ccc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 ZINC000023893825 559182094 /nfs/dbraw/zinc/18/20/94/559182094.db2.gz DADBNWJPIQQQQP-UHFFFAOYSA-N 0 0 404.397 4.072 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1OC ZINC000100302868 559193725 /nfs/dbraw/zinc/19/37/25/559193725.db2.gz ZFUUNIQSUBNLDS-MOBKVPTQSA-N 0 0 415.445 4.330 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C(C)C ZINC000004918713 559204673 /nfs/dbraw/zinc/20/46/73/559204673.db2.gz QTVUARHNSOUGOM-UHFFFAOYSA-N 0 0 402.535 4.395 50 30 HIEARN COc1ccc([C@H]2[C@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)c(OC)c1OC ZINC000004973893 559221414 /nfs/dbraw/zinc/22/14/14/559221414.db2.gz PDDXDBIOVRONDY-JIPRVBPISA-N 0 0 420.509 4.245 50 30 HIEARN Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000005108762 559246533 /nfs/dbraw/zinc/24/65/33/559246533.db2.gz WLTBTBJIKUBUGQ-HXUWFJFHSA-N 0 0 402.450 4.078 50 30 HIEARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccs1 ZINC000005112068 559247087 /nfs/dbraw/zinc/24/70/87/559247087.db2.gz LOIFVLSMBWAXLA-ZMOGYAJESA-N 0 0 412.478 4.363 50 30 HIEARN CCOc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000005129593 559249144 /nfs/dbraw/zinc/24/91/44/559249144.db2.gz CFAOJPSAOOAQJW-JJIBRWJFSA-N 0 0 417.517 4.450 50 30 HIEARN C=C(C)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CC(C)C ZINC000011718031 559254835 /nfs/dbraw/zinc/25/48/35/559254835.db2.gz KNSLPGKEXVECGG-UHFFFAOYSA-N 0 0 422.620 4.300 50 30 HIEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000005161829 559274329 /nfs/dbraw/zinc/27/43/29/559274329.db2.gz XLVODEIZSYWTTH-JWHLFPLYSA-N 0 0 403.228 4.006 50 30 HIEARN COc1cccc(NC2=C(Cl)C(=O)C(Nc3cccc(OC)c3)=C(Cl)C2=O)c1 ZINC000002143478 559274864 /nfs/dbraw/zinc/27/48/64/559274864.db2.gz RJJNWBGRXPAANG-UHFFFAOYSA-N 0 0 419.264 4.280 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccccc2)ccc1O ZINC000000796003 560178694 /nfs/dbraw/zinc/17/86/94/560178694.db2.gz VVHYQFXVNNVWTB-NRFANRHFSA-N 0 0 419.433 4.081 50 30 biogenic,in-vitro HIEARN C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000005205345 560539171 /nfs/dbraw/zinc/53/91/71/560539171.db2.gz MWDXPQSKADUFNU-OAQYLSRUSA-N 0 0 414.417 4.404 50 30 HIEARN COc1ccc(C=C2CCCC3=C2NC(NC#N)=N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000005259049 560551057 /nfs/dbraw/zinc/55/10/57/560551057.db2.gz KFPAWLRUFMXVSU-OVWUPXBPSA-N 0 0 400.482 4.296 50 30 HIEARN N#CCCN(C(=O)CSc1nc2cc(Cl)cnc2[nH]1)c1cccc(Cl)c1 ZINC000005261913 560552833 /nfs/dbraw/zinc/55/28/33/560552833.db2.gz SELGTVVCLAJPPS-UHFFFAOYSA-N 0 0 406.298 4.304 50 30 HIEARN CCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000005309562 560563793 /nfs/dbraw/zinc/56/37/93/560563793.db2.gz RAUAXZSCIUWIRU-UHFFFAOYSA-N 0 0 417.966 4.395 50 30 HIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(F)cc4)nc3c2[C@H]1c1ccccc1 ZINC000005347462 560570684 /nfs/dbraw/zinc/57/06/84/560570684.db2.gz VZBBKTGCCZMOGA-IBGZPJMESA-N 0 0 400.413 4.318 50 30 HIEARN C=CCOc1ccc(/C=C2\C(=O)N=C3SC(C(CC)CC)=NN3C2=N)cc1OC ZINC000005529537 560605796 /nfs/dbraw/zinc/60/57/96/560605796.db2.gz SIXUWUGTTSELBS-AXPJIBDUSA-N 0 0 412.515 4.315 50 30 HIEARN Cc1ccc(C[C@@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1C ZINC000005546263 560607632 /nfs/dbraw/zinc/60/76/32/560607632.db2.gz RUFUEPSZSOOFLB-NNLCKWJRSA-N 0 0 418.522 4.368 50 30 HIEARN CCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccncc3)N(Cc3ccco3)C2=O)cc1 ZINC000005546253 560607663 /nfs/dbraw/zinc/60/76/63/560607663.db2.gz RTNUNBDAKFQCAZ-OFRWBKCASA-N 0 0 418.522 4.314 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000005556847 560613095 /nfs/dbraw/zinc/61/30/95/560613095.db2.gz OYWQZBASPHQYMB-CYBMUJFWSA-N 0 0 400.525 4.273 50 30 HIEARN CCn1c(/C=C/c2ccc(C#N)cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 ZINC000005071075 560624167 /nfs/dbraw/zinc/62/41/67/560624167.db2.gz PBOCCBBIUBMIIO-JXMROGBWSA-N 0 0 405.401 4.392 50 30 HIEARN CCn1c(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)nc2ccccc2c1=O ZINC000006039948 560629298 /nfs/dbraw/zinc/62/92/98/560629298.db2.gz XUCODZYQLRRYTI-KGENOOAVSA-N 0 0 419.550 4.389 50 30 HIEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000005619043 560630746 /nfs/dbraw/zinc/63/07/46/560630746.db2.gz SLPVLNYKBXTEGI-ZDUSSCGKSA-N 0 0 412.471 4.258 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 ZINC000005625610 560632465 /nfs/dbraw/zinc/63/24/65/560632465.db2.gz RSFYKLYMOGJHHY-JOCHJYFZSA-N 0 0 415.445 4.487 50 30 biogenic HIEARN CC1(C)C[C@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2CC(=O)c1ccccc1 ZINC000005625274 560633783 /nfs/dbraw/zinc/63/37/83/560633783.db2.gz COMZENIJCRIGCJ-HSZRJFAPSA-N 0 0 407.539 4.117 50 30 HIEARN Cc1c2c(ccc1OCC(=O)OC(C)C)C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000008993422 560640689 /nfs/dbraw/zinc/64/06/89/560640689.db2.gz BPGQKOGHBQOWTD-SRZZPIQSSA-N 0 0 405.450 4.433 50 30 HIEARN C=CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1cc(=O)c2ccccc2o1 ZINC000100875020 560761549 /nfs/dbraw/zinc/76/15/49/560761549.db2.gz KHOFQEJJJOPEBG-FCQUAONHSA-N 0 0 406.463 4.135 50 30 HIEARN COc1cccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2cccc(OC)c2)c1 ZINC000018193923 560782229 /nfs/dbraw/zinc/78/22/29/560782229.db2.gz TWTWULGECOBPLX-HLHNIQGOSA-N 0 0 415.493 4.081 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(O)cc1 ZINC000018195557 560782340 /nfs/dbraw/zinc/78/23/40/560782340.db2.gz JNGQERISJVTOGW-LJQANCHMSA-N 0 0 401.466 4.072 50 30 HIEARN CCCCC(=NNC(=N)S[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000102116393 560807628 /nfs/dbraw/zinc/80/76/28/560807628.db2.gz YDGHTFIWVMXYCA-CBTVAOKPSA-N 0 0 408.527 4.171 50 30 HIEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102401937 560810649 /nfs/dbraw/zinc/81/06/49/560810649.db2.gz RCRRFVAJLGHSBE-MRJHHRETSA-N 0 0 402.450 4.420 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102514302 560815356 /nfs/dbraw/zinc/81/53/56/560815356.db2.gz RBOABXIOAVVRMY-MOBKVPTQSA-N 0 0 416.477 4.276 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102512816 560815390 /nfs/dbraw/zinc/81/53/90/560815390.db2.gz PROBYIFWEDZMDT-HOGKFDNTSA-N 0 0 417.461 4.473 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102649401 560818990 /nfs/dbraw/zinc/81/89/90/560818990.db2.gz UQLLZIZUNJSCIN-DWEDTRNSSA-N 0 0 415.848 4.080 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000102800136 560828362 /nfs/dbraw/zinc/82/83/62/560828362.db2.gz JIKMDNCQTCAORB-NHFXJNLRSA-N 0 0 418.380 4.360 50 30 HIEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1O ZINC000102802735 560828863 /nfs/dbraw/zinc/82/88/63/560828863.db2.gz DDZHBSPLAIIGSD-HOGKFDNTSA-N 0 0 415.445 4.336 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102858355 560831088 /nfs/dbraw/zinc/83/10/88/560831088.db2.gz UTDHPGQUFUIXFN-NHFXJNLRSA-N 0 0 420.852 4.370 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102858642 560831128 /nfs/dbraw/zinc/83/11/28/560831128.db2.gz WZQBOHJVNXODBF-SELCWUDQSA-N 0 0 420.292 4.452 50 30 HIEARN O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1cccc([N+](=O)[O-])c1 ZINC000102878322 560833551 /nfs/dbraw/zinc/83/35/51/560833551.db2.gz LAYIMYITHLBPDE-NMWGTECJSA-N 0 0 411.377 4.192 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102880978 560833812 /nfs/dbraw/zinc/83/38/12/560833812.db2.gz QZASJCFAWQUTBM-UYAGBXLBSA-N 0 0 411.885 4.249 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102927377 560834483 /nfs/dbraw/zinc/83/44/83/560834483.db2.gz BZWCUGBDUQVCDZ-GHNGSUTGSA-N 0 0 420.292 4.452 50 30 HIEARN COC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2cc(OC)ccc2O)C1=O ZINC000103262004 560840601 /nfs/dbraw/zinc/84/06/01/560840601.db2.gz HDWCTOIABRKLQP-CXUHLZMHSA-N 0 0 417.870 4.208 50 30 HIEARN CCc1nc2sc(C(=O)N3CCCN(c4ccccc4C#N)CC3)c(C)c2c(C)n1 ZINC000047138748 560881928 /nfs/dbraw/zinc/88/19/28/560881928.db2.gz VYIATNFRXXMZBM-UHFFFAOYSA-N 0 0 419.554 4.095 50 30 HIEARN COC(=O)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 ZINC000107678680 560897029 /nfs/dbraw/zinc/89/70/29/560897029.db2.gz LFQGMJKVGJUWGL-CYVLTUHYSA-N 0 0 410.429 4.133 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C)c(C)c2)cc1 ZINC000045940493 568421819 /nfs/dbraw/zinc/42/18/19/568421819.db2.gz GASRLDVBQNPBDO-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN COc1cccc(C(=O)N/C(=N/c2cccc(Cl)c2C)NCc2ccncc2)c1 ZINC000045940630 568421832 /nfs/dbraw/zinc/42/18/32/568421832.db2.gz QSVFYCLDTZMXMI-UHFFFAOYSA-N 0 0 408.889 4.259 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1cccc(C)c1)NCc1cccnc1 ZINC000046127418 568428792 /nfs/dbraw/zinc/42/87/92/568428792.db2.gz FGDILHUAKKQGQX-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2cccnc2)c1 ZINC000046127807 568428937 /nfs/dbraw/zinc/42/89/37/568428937.db2.gz AMBRYZSXCDBAGB-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN O=C(N=C(NC[C@H]1CCCO1)Nc1cccc(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000046131821 568429511 /nfs/dbraw/zinc/42/95/11/568429511.db2.gz VZQYWGJDKKGIRQ-QGZVFWFLSA-N 0 0 409.383 4.221 50 30 HIEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)c(Cl)c2)cc1 ZINC000046131766 568429543 /nfs/dbraw/zinc/42/95/43/568429543.db2.gz NJIQOIYBBBRBOV-KRWDZBQOSA-N 0 0 403.885 4.418 50 30 HIEARN CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(C)cc2)NCCN2CCOCC2)cc1 ZINC000046140706 568430076 /nfs/dbraw/zinc/43/00/76/568430076.db2.gz WJMVPTOXJYBJGI-HXUWFJFHSA-N 0 0 422.573 4.039 50 30 HIEARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c(OC)c1 ZINC000012322906 568471170 /nfs/dbraw/zinc/47/11/70/568471170.db2.gz MIPUWJARNBMVMA-WLRWDXFRSA-N 0 0 424.482 4.128 50 30 HIEARN CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000000801590 568484812 /nfs/dbraw/zinc/48/48/12/568484812.db2.gz QCOKIUCGLKMJNG-HXUWFJFHSA-N 0 0 420.490 4.320 50 30 HIEARN O=S(=O)(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 ZINC000005773820 568487097 /nfs/dbraw/zinc/48/70/97/568487097.db2.gz ASDCKXQFWGZMMB-HYARGMPZSA-N 0 0 400.887 4.231 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000002856303 568509881 /nfs/dbraw/zinc/50/98/81/568509881.db2.gz CCQLQROCSMKEGW-UHFFFAOYSA-N 0 0 423.498 4.002 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OCC)c1)Nc1ccccc1-2 ZINC000002874291 568510044 /nfs/dbraw/zinc/51/00/44/568510044.db2.gz FLBUZSUAYKPRNJ-LJQANCHMSA-N 0 0 408.483 4.424 50 30 HIEARN COc1c2c(cc3c1[C@H](C#CCOc1ccc(Cl)cc1Cl)N(C)CC3)OCO2 ZINC000020411244 568605226 /nfs/dbraw/zinc/60/52/26/568605226.db2.gz MCOIXNDOBXKQAW-INIZCTEOSA-N 0 0 420.292 4.342 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1OC)Nc1ccccc1-2 ZINC000002977443 568605862 /nfs/dbraw/zinc/60/58/62/568605862.db2.gz LYFVPJCQKMPXNG-IBGZPJMESA-N 0 0 408.483 4.337 50 30 HIEARN C#CCSc1nnc2n1c1c(c(=O)n2CC)C2(CCCCC2)Cc2ccccc2-1 ZINC000002999748 568613940 /nfs/dbraw/zinc/61/39/40/568613940.db2.gz RRQOBWDBZNQOTD-UHFFFAOYSA-N 0 0 404.539 4.061 50 30 biogenic HIEARN CSc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000095483062 568635083 /nfs/dbraw/zinc/63/50/83/568635083.db2.gz FILWHYVYYNFMSI-LJQANCHMSA-N 0 0 403.507 4.452 50 30 HIEARN N#Cc1cc(C#N)c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc1N ZINC000021425393 568701863 /nfs/dbraw/zinc/70/18/63/568701863.db2.gz OXUHTHVSKMUBMX-SFHVURJKSA-N 0 0 403.442 4.018 50 30 HIEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3cccc(O)c3)C12 ZINC000012408473 568712270 /nfs/dbraw/zinc/71/22/70/568712270.db2.gz HXCJKMHYFJPUII-DJJJIMSYSA-N 0 0 408.845 4.408 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000005799647 568734978 /nfs/dbraw/zinc/73/49/78/568734978.db2.gz HWYWORFRASVTNG-QFIPXVFZSA-N 0 0 414.461 4.259 50 30 HIEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(Br)cc2C)c1C#N ZINC000000983460 568760166 /nfs/dbraw/zinc/76/01/66/568760166.db2.gz KJXOPVRUICKNFL-UHFFFAOYSA-N 0 0 420.332 4.210 50 30 HIEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)cc1Cl ZINC000001017253 568762389 /nfs/dbraw/zinc/76/23/89/568762389.db2.gz NQVHPKPOXHFBBN-JJXNMMKVSA-N 0 0 405.882 4.378 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccccc1F ZINC000254566799 568765959 /nfs/dbraw/zinc/76/59/59/568765959.db2.gz NCYGSYMMTNQAIH-QGZVFWFLSA-N 0 0 401.438 4.111 50 30 HIEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2nsc(-c3ccc(Cl)cc3)n2)n1 ZINC000001104227 568771883 /nfs/dbraw/zinc/77/18/83/568771883.db2.gz XMYLLHWNWDBMGT-UHFFFAOYSA-N 0 0 415.931 4.473 50 30 HIEARN Cc1ccc(NC2=C(C(=O)c3ccccc3)N(C)S(=O)(=O)c3ccccc32)cc1 ZINC000001156660 568775051 /nfs/dbraw/zinc/77/50/51/568775051.db2.gz CQPLEKQTVOXTPK-UHFFFAOYSA-N 0 0 404.491 4.293 50 30 HIEARN C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2sc(CC)cc2c1=O ZINC000002618562 568786233 /nfs/dbraw/zinc/78/62/33/568786233.db2.gz WSBFLAZUURNLLO-UHFFFAOYSA-N 0 0 401.557 4.137 50 30 HIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005868759 568827251 /nfs/dbraw/zinc/82/72/51/568827251.db2.gz XEXPMJUKLXAMDT-MRXNPFEDSA-N 0 0 410.543 4.258 50 30 HIEARN COC(=O)c1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2C)cc1 ZINC000005905006 568829165 /nfs/dbraw/zinc/82/91/65/568829165.db2.gz RQRDNJPELKOCKQ-JSDDMWTDSA-N 0 0 402.859 4.066 50 30 HIEARN CN(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000005931588 568830103 /nfs/dbraw/zinc/83/01/03/568830103.db2.gz PNURAVZITKDXID-LJQANCHMSA-N 0 0 408.479 4.186 50 30 HIEARN C=CCc1c(C)nc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2c1C ZINC000003040484 568847827 /nfs/dbraw/zinc/84/78/27/568847827.db2.gz ARXLRUJMPWQEFH-UHFFFAOYSA-N 0 0 421.448 4.219 50 30 HIEARN C=CCSc1nnc(-c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)n1C ZINC000003041845 568847939 /nfs/dbraw/zinc/84/79/39/568847939.db2.gz PWPGKHZPUZXPQD-UHFFFAOYSA-N 0 0 407.326 4.277 50 30 HIEARN C=C(C[C@](NP(=O)(OCC)OCC)(C(=O)OC)C(F)(F)F)c1ccccc1 ZINC000003622227 568864418 /nfs/dbraw/zinc/86/44/18/568864418.db2.gz JTXBQMHCCSVJFI-INIZCTEOSA-N 0 0 409.341 4.335 50 30 HIEARN CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2C#N)c1CC ZINC000003273510 568870801 /nfs/dbraw/zinc/87/08/01/568870801.db2.gz FWAPOIUEUDAKAM-UHFFFAOYSA-N 0 0 401.466 4.417 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1 ZINC000003284530 568872127 /nfs/dbraw/zinc/87/21/27/568872127.db2.gz RDSPALLZAGZYNZ-UHFFFAOYSA-N 0 0 417.490 4.192 50 30 HIEARN CCCCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc2c1=O ZINC000003288227 568872602 /nfs/dbraw/zinc/87/26/02/568872602.db2.gz MYWSPAFKLWNQFE-UHFFFAOYSA-N 0 0 420.538 4.236 50 30 HIEARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)COc2ccc(C#N)cc2)c2ccccc2)c1 ZINC000003314081 568879038 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C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N(CCC)C3CC3)nc2c1=O ZINC000072474373 519151093 /nfs/dbraw/zinc/15/10/93/519151093.db2.gz WOUDDUMXLDJTDS-UHFFFAOYSA-N 0 0 410.905 4.017 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1OC ZINC000001114246 519188818 /nfs/dbraw/zinc/18/88/18/519188818.db2.gz IENMNNCLDJLOTN-UHFFFAOYSA-N 0 0 424.526 4.091 50 30 HIEARN C=CCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(OC)cc1 ZINC000024833507 519234059 /nfs/dbraw/zinc/23/40/59/519234059.db2.gz PKAFZDJKLBAGFF-UHFFFAOYSA-N 0 0 412.490 4.400 50 30 HIEARN C=CCn1c(SCCOc2ccc(C)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000006910321 519235646 /nfs/dbraw/zinc/23/56/46/519235646.db2.gz SQXALRGNHGDBBX-FQEVSTJZSA-N 0 0 409.511 4.456 50 30 HIEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(Cl)cc1 ZINC000100874085 519261215 /nfs/dbraw/zinc/26/12/15/519261215.db2.gz PJVVBAZKTZPRRC-XDOYNYLZSA-N 0 0 400.887 4.460 50 30 HIEARN C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)nc21 ZINC000001058447 519265057 /nfs/dbraw/zinc/26/50/57/519265057.db2.gz 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CCCN(CC#Cc1ccccc1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1C ZINC000055369493 521524685 /nfs/dbraw/zinc/52/46/85/521524685.db2.gz CZKFOUCSXSTIDY-HSZRJFAPSA-N 0 0 404.510 4.016 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2cccc(OC)c2)c(C)n1 ZINC000032972823 521650561 /nfs/dbraw/zinc/65/05/61/521650561.db2.gz OUOTUUSWWIGREG-UHFFFAOYSA-N 0 0 423.492 4.147 50 30 HIEARN CN(C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 ZINC000020573511 522008551 /nfs/dbraw/zinc/00/85/51/522008551.db2.gz OLZJHYLHYYAMEX-JXFKEZNVSA-N 0 0 422.506 4.222 50 30 HIEARN CC[C@@H](C)Nc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N ZINC000036628057 522236482 /nfs/dbraw/zinc/23/64/82/522236482.db2.gz XWPPXQZZYWMTTP-MRXNPFEDSA-N 0 0 424.526 4.244 50 30 HIEARN COC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cc(OC)cc(OC)c2)C1=O ZINC000036257317 522895881 /nfs/dbraw/zinc/89/58/81/522895881.db2.gz MCJIBVMTLMYMLE-WOJGMQOQSA-N 0 0 411.479 4.166 50 30 HIEARN COc1cc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc(OC)c1O ZINC000018197520 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COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 ZINC000008739436 523793891 /nfs/dbraw/zinc/79/38/91/523793891.db2.gz ASBNPVSCZNDJOW-QFIPXVFZSA-N 0 0 423.509 4.255 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2ccc(OC)cc2)NCc2c(C)nn(C)c2C)c1 ZINC000032972737 524071177 /nfs/dbraw/zinc/07/11/77/524071177.db2.gz ZVWONDSIKOYFGM-UHFFFAOYSA-N 0 0 419.529 4.006 50 30 HIEARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(Nc3ccc(C#N)cc3)ccc2c1 ZINC000032943636 524117696 /nfs/dbraw/zinc/11/76/96/524117696.db2.gz HULNZRPTAPULGZ-MRXNPFEDSA-N 0 0 406.511 4.413 50 30 HIEARN COc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1OC ZINC000032984110 524401545 /nfs/dbraw/zinc/40/15/45/524401545.db2.gz IYOBUGRDFVNXEA-UHFFFAOYSA-N 0 0 421.474 4.354 50 30 HIEARN Cc1ccc(CS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000027663823 524640094 /nfs/dbraw/zinc/64/00/94/524640094.db2.gz ROUXYPYOIKEHKZ-UHFFFAOYSA-N 0 0 407.904 4.110 50 30 HIEARN COc1ccc(OC)c(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000036066012 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NC(=S)N/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000001098371 527110546 /nfs/dbraw/zinc/11/05/46/527110546.db2.gz GAULDLHEKLKSQL-SSDVNMTOSA-N 0 0 414.328 4.348 50 30 HIEARN O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000009539536 527618123 /nfs/dbraw/zinc/61/81/23/527618123.db2.gz XLDMTWDTJOBSPO-GORDUTHDSA-N 0 0 421.434 4.203 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1cccc(F)c1 ZINC000032972569 527628153 /nfs/dbraw/zinc/62/81/53/527628153.db2.gz PEHXPFQVDFTYSU-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN O=C(/C=C\c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033714934 527654391 /nfs/dbraw/zinc/65/43/91/527654391.db2.gz PVFIAQAYMRGDHZ-XGICHPGQSA-N 0 0 420.328 4.130 50 30 HIEARN N#CCCCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000009077087 557017664 /nfs/dbraw/zinc/01/76/64/557017664.db2.gz OBMIBFHUGRQPFL-UHFFFAOYSA-N 0 0 400.360 4.414 50 30 HIEARN COc1cc(/C=N/c2ccc(I)cc2C)cc(OC)c1OC ZINC000000678654 557054508 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401.438 4.111 50 30 HIEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1 ZINC000001130298 557197597 /nfs/dbraw/zinc/19/75/97/557197597.db2.gz YZWFCKZXQZSFML-FQEVSTJZSA-N 0 0 400.390 4.199 50 30 HIEARN COc1ccc(C=NN2C(=S)N=NC2c2cccnc2)cc1OCc1ccccc1 ZINC000001247438 557251411 /nfs/dbraw/zinc/25/14/11/557251411.db2.gz YBALWHUNXNOZBL-ZMOGYAJESA-N 0 0 417.494 4.099 50 30 HIEARN Oc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001473729 557269770 /nfs/dbraw/zinc/26/97/70/557269770.db2.gz DQGQUFXUPBRPLW-QGMBQPNBSA-N 0 0 409.696 4.238 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)CC(C)(C)CC(=O)[C@@H]1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000001674033 557280217 /nfs/dbraw/zinc/28/02/17/557280217.db2.gz GORMMYWRNUWTJI-NOXFTYBFSA-N 0 0 413.470 4.046 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC ZINC000002055370 557302372 /nfs/dbraw/zinc/30/23/72/557302372.db2.gz CIKOJUMGHPVOHB-HXUWFJFHSA-N 0 0 413.514 4.261 50 30 HIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002055404 557302406 /nfs/dbraw/zinc/30/24/06/557302406.db2.gz RXSWFYBWRJQYQZ-LJQANCHMSA-N 0 0 419.905 4.365 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000002083658 557310534 /nfs/dbraw/zinc/31/05/34/557310534.db2.gz MYADHEDVFULCTL-QHCPKHFHSA-N 0 0 403.478 4.277 50 30 HIEARN O=C1Nc2ccc(F)cc2/C1=C1/S/C(=N\c2ccccc2C(F)(F)F)NC1=O ZINC000002114336 557315229 /nfs/dbraw/zinc/31/52/29/557315229.db2.gz WSJWKJWXHUGFCC-YPKPFQOOSA-N 0 0 407.348 4.058 50 30 HIEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)/C=C/c1cc(OC)c(OC)cc1OC ZINC000002549249 557356099 /nfs/dbraw/zinc/35/60/99/557356099.db2.gz PDLQDNAYWRDPQN-FIFLTTCUSA-N 0 0 414.454 4.034 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 ZINC000002779953 557386619 /nfs/dbraw/zinc/38/66/19/557386619.db2.gz LYEGTOFGVRUPNZ-FQEVSTJZSA-N 0 0 415.555 4.293 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCC)c(OC)c1 ZINC000004065857 557509120 /nfs/dbraw/zinc/50/91/20/557509120.db2.gz YZCVORKVAHYZAI-QFIPXVFZSA-N 0 0 411.498 4.181 50 30 HIEARN CN(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000004078698 557510420 /nfs/dbraw/zinc/51/04/20/557510420.db2.gz PSWOKSSMQXXIIQ-JJIBRWJFSA-N 0 0 405.523 4.255 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(N(C)C)cc2)C1=O ZINC000004486180 557558769 /nfs/dbraw/zinc/55/87/69/557558769.db2.gz XIGWSKUVXYICKK-AQTBWJFISA-N 0 0 412.486 4.435 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(N(C)C)cc2)c1=O ZINC000004661363 557577880 /nfs/dbraw/zinc/57/78/80/557577880.db2.gz KEEXONMGXLKWEZ-KPKJPENVSA-N 0 0 401.304 4.203 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(OC)c2OC)c1=O ZINC000004667441 557579071 /nfs/dbraw/zinc/57/90/71/557579071.db2.gz RCVPHLYVEAUQLA-DHZHZOJOSA-N 0 0 418.287 4.154 50 30 HIEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004915192 557613590 /nfs/dbraw/zinc/61/35/90/557613590.db2.gz AXPPOSDLYTYXHI-HKUYNNGSSA-N 0 0 421.493 4.107 50 30 HIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)c(OC)c2)C3)c1 ZINC000004915216 557613646 /nfs/dbraw/zinc/61/36/46/557613646.db2.gz UHMNMEOISKSDRK-HKUYNNGSSA-N 0 0 421.493 4.107 50 30 HIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)c1 ZINC000004916289 557613967 /nfs/dbraw/zinc/61/39/67/557613967.db2.gz SLWIVAJXMQQSJM-JXFKEZNVSA-N 0 0 421.493 4.107 50 30 HIEARN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000004998757 557623178 /nfs/dbraw/zinc/62/31/78/557623178.db2.gz BYYCPEVTNUMVHZ-CCEZHUSRSA-N 0 0 401.304 4.484 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005595985 557664335 /nfs/dbraw/zinc/66/43/35/557664335.db2.gz GAFLVESTUGJJRT-NRFANRHFSA-N 0 0 414.417 4.373 50 30 HIEARN CCOC(=O)c1c(/N=C/c2cc(Cl)cc(OC)c2O)sc2c1CCN(C)C2 ZINC000002266367 557683054 /nfs/dbraw/zinc/68/30/54/557683054.db2.gz VJFQHMSEXXPMRU-ZVBGSRNCSA-N 0 0 408.907 4.031 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000005988093 557683653 /nfs/dbraw/zinc/68/36/53/557683653.db2.gz NHVZBCFWCROFPM-KRWDZBQOSA-N 0 0 406.265 4.218 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000006785927 557720956 /nfs/dbraw/zinc/72/09/56/557720956.db2.gz NZRPFOMIBMYOQO-GOSISDBHSA-N 0 0 403.837 4.094 50 30 HIEARN COC(=O)c1ccc(NC(=O)/C=C/c2cn(CCC#N)nc2-c2ccc(F)cc2)cc1 ZINC000002628679 557736827 /nfs/dbraw/zinc/73/68/27/557736827.db2.gz IOCSCEIOYJOUBT-KPKJPENVSA-N 0 0 418.428 4.041 50 30 HIEARN CCCCN1C(=O)C[C@H](C(=O)NCC)S/C1=N\c1cc(Cl)cc(Cl)c1 ZINC000002728093 557753852 /nfs/dbraw/zinc/75/38/52/557753852.db2.gz ZPGLJOHFRZVVSN-GICLCMKGSA-N 0 0 402.347 4.251 50 30 HIEARN CCCCCCCCCn1c(SC/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000008396759 557786100 /nfs/dbraw/zinc/78/61/00/557786100.db2.gz ZOGZERLMROOTPZ-SDNWHVSQSA-N 0 0 412.987 4.409 50 30 HIEARN Cc1ccc(C(=N)NC(NC(=O)c2ccccc2F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000008445293 557790128 /nfs/dbraw/zinc/79/01/28/557790128.db2.gz JVZYOQBCOLOVPG-UHFFFAOYSA-N 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COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000019772420 558280285 /nfs/dbraw/zinc/28/02/85/558280285.db2.gz GRJUPGPBVZEFEP-KRWDZBQOSA-N 0 0 404.850 4.025 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000019772418 558280308 /nfs/dbraw/zinc/28/03/08/558280308.db2.gz GRJUPGPBVZEFEP-QGZVFWFLSA-N 0 0 404.850 4.025 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1cccs1 ZINC000019848959 558295071 /nfs/dbraw/zinc/29/50/71/558295071.db2.gz DYYRAFZHYKLLMU-QRQCRPRQSA-N 0 0 409.507 4.291 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 ZINC000019855082 558296456 /nfs/dbraw/zinc/29/64/56/558296456.db2.gz HSAXTSHTYHIOGA-QFIPXVFZSA-N 0 0 418.449 4.306 50 30 HIEARN CC(C)(C)c1oncc1C(=O)ONC(=N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012369136 558389150 /nfs/dbraw/zinc/38/91/50/558389150.db2.gz XCDAPZCDNIIOAI-UHFFFAOYSA-N 0 0 423.313 4.487 50 30 HIEARN Cc1ccccc1S(=O)(=O)N=C(NC(C)(C)C)c1ccc(Br)cc1 ZINC000004359663 558456852 /nfs/dbraw/zinc/45/68/52/558456852.db2.gz KJPGHRUCTGQKJU-UHFFFAOYSA-N 0 0 409.349 4.281 50 30 HIEARN C=CCc1ccccc1OCCn1c2ccccc2nc1[C@H]1CC(=O)N(CC=C)C1 ZINC000004385951 558483332 /nfs/dbraw/zinc/48/33/32/558483332.db2.gz SBRPCRWILLOEQE-FQEVSTJZSA-N 0 0 401.510 4.346 50 30 HIEARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C ZINC000013096352 558513143 /nfs/dbraw/zinc/51/31/43/558513143.db2.gz DBRNXJGLBSPATB-UHFFFAOYSA-N 0 0 424.570 4.015 50 30 HIEARN FC(F)(F)c1ccccc1NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013519892 558536569 /nfs/dbraw/zinc/53/65/69/558536569.db2.gz USAZRKNGNDXCGM-UHFFFAOYSA-N 0 0 423.460 4.169 50 30 HIEARN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000013653576 558558335 /nfs/dbraw/zinc/55/83/35/558558335.db2.gz DAVAYDQMGPVISK-SRMCNWIXSA-N 0 0 409.482 4.258 50 30 HIEARN COc1ccc(N2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)c(OC)c1 ZINC000013682783 558567779 /nfs/dbraw/zinc/56/77/79/558567779.db2.gz SLGJVMMDUPMSFS-NHDPSOOVSA-N 0 0 405.406 4.270 50 30 HIEARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000014121730 558622477 /nfs/dbraw/zinc/62/24/77/558622477.db2.gz PGCCSVJDJQRIOA-OKILXGFUSA-N 0 0 409.939 4.381 50 30 HIEARN C=CCNC(=S)N/N=C/c1ccccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000004547252 558672199 /nfs/dbraw/zinc/67/21/99/558672199.db2.gz LXOYEQOVHFZKQI-KOEQRZSOSA-N 0 0 411.571 4.426 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(O)c2)cc1F ZINC000016805576 558807501 /nfs/dbraw/zinc/80/75/01/558807501.db2.gz JOMFDAGGBLZZCM-OAQYLSRUSA-N 0 0 418.424 4.013 50 30 HIEARN CC[C@H](C)c1ccc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000017081890 558813827 /nfs/dbraw/zinc/81/38/27/558813827.db2.gz CTXJCTBCGNUMBG-WQEJZQBCSA-N 0 0 400.479 4.042 50 30 HIEARN C/C(=N\OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1cccs1 ZINC000017185913 558825116 /nfs/dbraw/zinc/82/51/16/558825116.db2.gz QGAQPVBVHZOOKX-PCLIKHOPSA-N 0 0 407.495 4.057 50 30 HIEARN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccccc2)cc1C ZINC000017781069 558827933 /nfs/dbraw/zinc/82/79/33/558827933.db2.gz MAHDMKNYWUHQLX-JOCHJYFZSA-N 0 0 423.509 4.399 50 30 HIEARN C=CCOc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000004593337 558831311 /nfs/dbraw/zinc/83/13/11/558831311.db2.gz OPUNSNHLLOEPNQ-RBBKRZOGSA-N 0 0 416.521 4.445 50 30 HIEARN Cc1c(NC(=CC(=O)c2cccs2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000004598719 558834836 /nfs/dbraw/zinc/83/48/36/558834836.db2.gz QIJVWFKASZGRIM-LFIBNONCSA-N 0 0 407.417 4.287 50 30 HIEARN O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 ZINC000018255971 558834995 /nfs/dbraw/zinc/83/49/95/558834995.db2.gz RSXFATOVQYUTDO-UNJYKCMZSA-N 0 0 400.409 4.403 50 30 HIEARN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c1 ZINC000013653835 558851090 /nfs/dbraw/zinc/85/10/90/558851090.db2.gz KQFQRBSHCLVXKL-XKZIYDEJSA-N 0 0 409.482 4.258 50 30 HIEARN COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 ZINC000013685253 558854812 /nfs/dbraw/zinc/85/48/12/558854812.db2.gz AOUAAKHSRLNYRT-XKZIYDEJSA-N 0 0 403.434 4.299 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2OC)cc1 ZINC000068752361 558864645 /nfs/dbraw/zinc/86/46/45/558864645.db2.gz HYLRUOFRBPCRLB-QFIPXVFZSA-N 0 0 415.445 4.487 50 30 HIEARN CCCCCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2)n(C)c1=O ZINC000097954405 558865598 /nfs/dbraw/zinc/86/55/98/558865598.db2.gz MJGOFFPWBLZOHS-UHFFFAOYSA-N 0 0 423.561 4.107 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000004681354 558893892 /nfs/dbraw/zinc/89/38/92/558893892.db2.gz KADSRHZVUADRQV-MAVBTGMRSA-N 0 0 411.527 4.292 50 30 HIEARN CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(C(F)(F)F)nn21 ZINC000004716151 558915703 /nfs/dbraw/zinc/91/57/03/558915703.db2.gz WTWSKEHMKKQIJW-INIZCTEOSA-N 0 0 406.408 4.354 50 30 HIEARN CCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(C(F)(F)F)nn21 ZINC000004716150 558915708 /nfs/dbraw/zinc/91/57/08/558915708.db2.gz WTWSKEHMKKQIJW-MRXNPFEDSA-N 0 0 406.408 4.354 50 30 HIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(COc3ccc(F)cc3)o2)c1C ZINC000011195270 558932642 /nfs/dbraw/zinc/93/26/42/558932642.db2.gz MCUKJGDEKUDSFD-UHFFFAOYSA-N 0 0 401.463 4.367 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019624730 558947044 /nfs/dbraw/zinc/94/70/44/558947044.db2.gz WJLSNZKWVGBKNW-XMMPIXPASA-N 0 0 416.521 4.472 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000019624805 558947093 /nfs/dbraw/zinc/94/70/93/558947093.db2.gz HCSHYXMJDOYAPH-XXBNENTESA-N 0 0 402.494 4.396 50 30 HIEARN CCCCCCCCCCCCn1c(SCC(C)=O)nc2c1c(=O)[nH]c(=O)n2C ZINC000097949587 558983856 /nfs/dbraw/zinc/98/38/56/558983856.db2.gz DKRZOMHWORJRMV-UHFFFAOYSA-N 0 0 422.595 4.025 50 30 HIEARN CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000023078527 558999563 /nfs/dbraw/zinc/99/95/63/558999563.db2.gz KHRASGHKQIOJCU-UHFFFAOYSA-N 0 0 424.570 4.156 50 30 HIEARN N#Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000011300521 559050556 /nfs/dbraw/zinc/05/05/56/559050556.db2.gz MPWVVQLPLXBBEY-UHFFFAOYSA-N 0 0 411.255 4.276 50 30 HIEARN CCCOC(=O)c1cc(/N=C/c2cc(Cl)ccc2O)ccc1N1CCOCC1 ZINC000098087268 559065401 /nfs/dbraw/zinc/06/54/01/559065401.db2.gz CPEJSOFOWNRCRG-OEAKJJBVSA-N 0 0 402.878 4.200 50 30 HIEARN COc1ccc(/N=C2/S/C(=C\c3cc(Br)ccc3O)C(=O)N2C)cc1 ZINC000097466879 559118957 /nfs/dbraw/zinc/11/89/57/559118957.db2.gz DEBSUTWVPDQIKN-NIQTYAIASA-N 0 0 419.300 4.397 50 30 HIEARN COC(=O)C(F)(F)C(F)(F)O[C@](F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F ZINC000100046065 559129199 /nfs/dbraw/zinc/12/91/99/559129199.db2.gz OVAULROCPRKKJF-ZCFIWIBFSA-N 0 0 422.093 4.277 50 30 HIEARN CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CCc1c[nH]c2ccccc12 ZINC000100163162 559131371 /nfs/dbraw/zinc/13/13/71/559131371.db2.gz WUXSCGNNJHZPRC-BUVRLJJBSA-N 0 0 417.469 4.169 50 30 HIEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)OC)cc3)N(C)C2=O)cc1 ZINC000100289345 559133686 /nfs/dbraw/zinc/13/36/86/559133686.db2.gz RFVPYXZNJFCFLP-UVOXWLTBSA-N 0 0 408.479 4.272 50 30 HIEARN N#Cc1cccc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)c1 ZINC000014168356 559154623 /nfs/dbraw/zinc/15/46/23/559154623.db2.gz XPQBCAIOOSHFTF-UHFFFAOYSA-N 0 0 422.488 4.082 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000023866552 559181245 /nfs/dbraw/zinc/18/12/45/559181245.db2.gz DLWDBMQXYIMCSW-UHFFFAOYSA-N 0 0 405.885 4.430 50 30 HIEARN COCCn1c2ccc(Cl)cc2nc1S[C@H](C)C(=O)Nc1ccccc1C#N ZINC000024048550 559189266 /nfs/dbraw/zinc/18/92/66/559189266.db2.gz VVSUPHFZFJUOPH-CYBMUJFWSA-N 0 0 414.918 4.327 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000004853378 559191708 /nfs/dbraw/zinc/19/17/08/559191708.db2.gz PVJHULUZPDMYNO-OAHLLOKOSA-N 0 0 409.404 4.196 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004919075 559204681 /nfs/dbraw/zinc/20/46/81/559204681.db2.gz JJOXAJBQAZGCHL-XXBNENTESA-N 0 0 410.466 4.032 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OC)c(OC)c1 ZINC000004943526 559214244 /nfs/dbraw/zinc/21/42/44/559214244.db2.gz LYEPVANKASQMGA-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cc(OC)cc(OC)c1 ZINC000004943540 559214247 /nfs/dbraw/zinc/21/42/47/559214247.db2.gz OWRVUUNAYZFFIV-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000004957061 559216817 /nfs/dbraw/zinc/21/68/17/559216817.db2.gz JQMMNYZAOBYFHP-JJGJMRCDSA-N 0 0 415.490 4.087 50 30 HIEARN C=CCN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000004976083 559221739 /nfs/dbraw/zinc/22/17/39/559221739.db2.gz ZJOCZPJHGUEVML-UHFFFAOYSA-N 0 0 413.430 4.455 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005014279 559228319 /nfs/dbraw/zinc/22/83/19/559228319.db2.gz RPXLYXKELRGIKK-QUCCMNQESA-N 0 0 411.885 4.406 50 30 HIEARN COc1ccccc1/N=C1/S[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N1C ZINC000100570316 559230506 /nfs/dbraw/zinc/23/05/06/559230506.db2.gz UREUWHZXGYJBAP-LRWZUSMTSA-N 0 0 417.918 4.247 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005051276 559237116 /nfs/dbraw/zinc/23/71/16/559237116.db2.gz WFNHNYCJEHMOFY-HJOGWXRNSA-N 0 0 422.481 4.302 50 30 HIEARN CCCCCNC(=O)c1c(N)n(/N=C/c2ccccc2C)c2nc3ccccc3nc21 ZINC000005065896 559239862 /nfs/dbraw/zinc/23/98/62/559239862.db2.gz MUILIKJMLSALEZ-JFLMPSFJSA-N 0 0 414.513 4.277 50 30 HIEARN COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@H]21 ZINC000005091681 559243894 /nfs/dbraw/zinc/24/38/94/559243894.db2.gz JFQAIFJOVLOBRN-IFOBJOEFSA-N 0 0 414.505 4.353 50 30 HIEARN Cc1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000005173532 559288294 /nfs/dbraw/zinc/28/82/94/559288294.db2.gz YNVVFSWJWIEJNI-UFFVCSGVSA-N 0 0 405.241 4.450 50 30 HIEARN CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@H]12 ZINC000005186468 559289561 /nfs/dbraw/zinc/28/95/61/559289561.db2.gz GSRCISJQAVNUPA-LSSDNNNWSA-N 0 0 404.469 4.303 50 30 HIEARN Cc1ccc(CONC=NC(=O)N2OC[C@@H]3COc4ccc5ccccc5c4[C@@H]32)cc1 ZINC000005217413 560543865 /nfs/dbraw/zinc/54/38/65/560543865.db2.gz DUYKQCWELCTMRL-WMZHIEFXSA-N 0 0 417.465 4.315 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3ccc(OC)cc3)c(=O)oc2c1 ZINC000062001387 560565814 /nfs/dbraw/zinc/56/58/14/560565814.db2.gz NWNYZYHPAOVPEU-UHFFFAOYSA-N 0 0 421.493 4.314 50 30 HIEARN CN1C(C(=O)c2ccccc2)=C(OCc2ccccc2)c2ccccc2S1(=O)=O ZINC000005322649 560568530 /nfs/dbraw/zinc/56/85/30/560568530.db2.gz YMAQTJDEMYQPKC-UHFFFAOYSA-N 0 0 405.475 4.089 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c3nc(Cc4ccccc4)nn3cnc1O2 ZINC000005345871 560570159 /nfs/dbraw/zinc/57/01/59/560570159.db2.gz SLEWNRMQFKCZPP-OAQYLSRUSA-N 0 0 408.461 4.247 50 30 HIEARN COc1ccc(C(=O)O/N=C/c2ccc([S@](=O)c3ccc(Cl)cc3)nc2)cc1 ZINC000005359425 560571504 /nfs/dbraw/zinc/57/15/04/560571504.db2.gz QXXPQPYSXABNSV-RJIVUXNUSA-N 0 0 414.870 4.101 50 30 HIEARN O=C1[C@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccccc2)N1Cc1ccco1 ZINC000005410148 560583755 /nfs/dbraw/zinc/58/37/55/560583755.db2.gz ONNIODYAAGZTQN-HHKSSKBBSA-N 0 0 407.470 4.496 50 30 HIEARN O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccccc2)N1Cc1ccco1 ZINC000005410151 560583875 /nfs/dbraw/zinc/58/38/75/560583875.db2.gz ONNIODYAAGZTQN-AXMNZLFYSA-N 0 0 407.470 4.496 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1F ZINC000002624069 560586129 /nfs/dbraw/zinc/58/61/29/560586129.db2.gz XUHICVFKUVZQCT-UHFFFAOYSA-N 0 0 404.417 4.279 50 30 HIEARN COc1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC(C)C ZINC000005489556 560597876 /nfs/dbraw/zinc/59/78/76/560597876.db2.gz UYNRCXSRYUOQMI-AWEZNQCLSA-N 0 0 422.909 4.024 50 30 HIEARN COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@@H]2C[C@H]2c2ccc(OC)cc2)cc1 ZINC000005527076 560605081 /nfs/dbraw/zinc/60/50/81/560605081.db2.gz DQHSSEBQPVXARH-QGDWSKEDSA-N 0 0 402.450 4.464 50 30 HIEARN CCc1ccc(C[C@@H]2S/C(=N/N=C/c3cccnc3)N(Cc3ccco3)C2=O)cc1 ZINC000005546259 560607628 /nfs/dbraw/zinc/60/76/28/560607628.db2.gz ZLNXZZAIMTUSPS-OFRWBKCASA-N 0 0 418.522 4.314 50 30 HIEARN N#CCCN(C(=O)COC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000004779029 560608571 /nfs/dbraw/zinc/60/85/71/560608571.db2.gz KEJYDVAVZKHZTJ-FMIVXFBMSA-N 0 0 402.372 4.209 50 30 HIEARN CSc1nc(NCCOC(=O)c2ccccc2)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005607440 560629975 /nfs/dbraw/zinc/62/99/75/560629975.db2.gz YRHJNCRLHJFAHQ-UHFFFAOYSA-N 0 0 404.495 4.315 50 30 HIEARN N#CC1(C#N)[C@H](c2ccoc2)[C@@H](C(=O)Oc2ccccc2)N2c3ccccc3C=C[C@H]21 ZINC000017467092 560717052 /nfs/dbraw/zinc/71/70/52/560717052.db2.gz FWYQTWKAYMEBJL-ZRBLBEILSA-N 0 0 407.429 4.287 50 30 HIEARN CCC(=[NH+]C[C@H]1CCCO1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000017951036 560731193 /nfs/dbraw/zinc/73/11/93/560731193.db2.gz ANCJRZGSDGEEPT-QWKGEVNMSA-N 0 0 424.448 4.172 50 30 HIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1cccc(Br)c1 ZINC000005660656 560732752 /nfs/dbraw/zinc/73/27/52/560732752.db2.gz IQGYSHORFGJAEQ-UHFFFAOYSA-N 0 0 412.312 4.289 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000018066124 560774461 /nfs/dbraw/zinc/77/44/61/560774461.db2.gz DBVRNPDXWGHQKV-OAQYLSRUSA-N 0 0 402.425 4.308 50 30 HIEARN C=CCOc1ccc(CN=Nc2nc(C)cc(COC)c2C#N)cc1Br ZINC000018192566 560781997 /nfs/dbraw/zinc/78/19/97/560781997.db2.gz UDRQYXXZMWEOJX-SSDVNMTOSA-N 0 0 415.291 4.181 50 30 HIEARN COc1ccc(N=Nc2c(=O)n(-c3ccccc3C)[n-]c2-c2ccc(OC)cc2)cc1 ZINC000018192730 560782146 /nfs/dbraw/zinc/78/21/46/560782146.db2.gz SMMGXMQZZFDMFD-WNAAXNPUSA-N 0 0 414.465 4.231 50 30 HIEARN O=c1[nH][nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196410 560782607 /nfs/dbraw/zinc/78/26/07/560782607.db2.gz OACDQSQHAGQEEO-ZBEGNZNMSA-N 0 0 408.439 4.043 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000018198505 560783626 /nfs/dbraw/zinc/78/36/26/560783626.db2.gz QCLMRHXAOIZXPW-HXOBKFHXSA-N 0 0 416.481 4.019 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccn4)nn3[C@H](c3ccc(F)cc3)C12 ZINC000018198884 560783660 /nfs/dbraw/zinc/78/36/60/560783660.db2.gz GLFSDQRWHDLNBC-LJQANCHMSA-N 0 0 407.474 4.127 50 30 HIEARN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000101503843 560796583 /nfs/dbraw/zinc/79/65/83/560796583.db2.gz HJIZYKOTRVQSPO-HOGKFDNTSA-N 0 0 412.445 4.271 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccccc1F ZINC000102297566 560809107 /nfs/dbraw/zinc/80/91/07/560809107.db2.gz XQQXBYHHZLPIAI-RVKKMQEKSA-N 0 0 402.539 4.303 50 30 HIEARN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102374333 560810647 /nfs/dbraw/zinc/81/06/47/560810647.db2.gz HRGFPDWRPHQPAX-JBCNATCCSA-N 0 0 418.449 4.084 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C ZINC000102506819 560812833 /nfs/dbraw/zinc/81/28/33/560812833.db2.gz WXHJVDIPDKNOJO-YDJIHCHBSA-N 0 0 420.490 4.082 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000102539763 560814005 /nfs/dbraw/zinc/81/40/05/560814005.db2.gz NBMVUNVOHNINAH-YDJIHCHBSA-N 0 0 418.380 4.360 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1)c1ccccc1 ZINC000102715822 560823155 /nfs/dbraw/zinc/82/31/55/560823155.db2.gz OSFGEYIACASMEU-HOGKFDNTSA-N 0 0 412.445 4.425 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875932 560830696 /nfs/dbraw/zinc/83/06/96/560830696.db2.gz JBSITHXZPKMWGY-YDJIHCHBSA-N 0 0 421.884 4.049 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl ZINC000102879502 560833595 /nfs/dbraw/zinc/83/35/95/560833595.db2.gz SVVYSENEWXKLCE-VCWDPOAFSA-N 0 0 403.887 4.002 50 30 HIEARN CCOc1cc(C=C2SC(Nc3cccc(F)c3)=C(C(=O)OC)C2=O)ccc1O ZINC000103122423 560838107 /nfs/dbraw/zinc/83/81/07/560838107.db2.gz BCEXUUBDDFSYJL-LICLKQGHSA-N 0 0 415.442 4.084 50 30 HIEARN C=CCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000104772936 560854760 /nfs/dbraw/zinc/85/47/60/560854760.db2.gz UNZUARMHOICSBA-JXLMVQBASA-N 0 0 411.299 4.078 50 30 HIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)ccc2OC)cc1 ZINC000046126553 568428686 /nfs/dbraw/zinc/42/86/86/568428686.db2.gz DBKHHEGRUQJBMB-UHFFFAOYSA-N 0 0 402.498 4.359 50 30 HIEARN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2cccnc2)cc1Cl ZINC000046127987 568428921 /nfs/dbraw/zinc/42/89/21/568428921.db2.gz PFABIENVQHTTMS-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CC(C)c1cccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCc2cccnc2)c1 ZINC000046128732 568428994 /nfs/dbraw/zinc/42/89/94/568428994.db2.gz VUQCPVQJTDDTHO-UHFFFAOYSA-N 0 0 416.481 4.332 50 30 HIEARN COc1cc(NC(=NC(=O)c2ccc(Cl)cc2)NCc2cccnc2)cc(OC)c1 ZINC000046128391 568429065 /nfs/dbraw/zinc/42/90/65/568429065.db2.gz LXBSYEXCTPHQFK-UHFFFAOYSA-N 0 0 424.888 4.150 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(C)cc1)NC[C@H]1CCCO1 ZINC000046129842 568429226 /nfs/dbraw/zinc/42/92/26/568429226.db2.gz ALMNCJRZLILCDH-QGZVFWFLSA-N 0 0 401.894 4.034 50 30 HIEARN CC(=O)Nc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C(C)C)cc2)c1 ZINC000046130688 568429328 /nfs/dbraw/zinc/42/93/28/568429328.db2.gz WQBRXJTZBPKYIT-JOCHJYFZSA-N 0 0 422.529 4.145 50 30 HIEARN CC(C)(C)c1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc3c(c2)OCO3)cc1 ZINC000046133012 568430324 /nfs/dbraw/zinc/43/03/24/568430324.db2.gz LPQPCJQRPHEWMS-IBGZPJMESA-N 0 0 423.513 4.090 50 30 HIEARN COc1cccc2c(Nc3ccc(F)c(C#N)c3)cc(C(=O)N3CCSCC3)nc12 ZINC000049003070 568446250 /nfs/dbraw/zinc/44/62/50/568446250.db2.gz BXIDARLNYLMWEY-UHFFFAOYSA-N 0 0 422.485 4.187 50 30 HIEARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(C#N)cc3)nc2n1 ZINC000014908348 568455031 /nfs/dbraw/zinc/45/50/31/568455031.db2.gz GKAUGBYZQCYKIR-UHFFFAOYSA-N 0 0 414.494 4.157 50 30 HIEARN C=C(C)COc1ccc2c(C)c(CCC(=O)NCc3cccnc3)c(=O)oc2c1C ZINC000012296453 568462619 /nfs/dbraw/zinc/46/26/19/568462619.db2.gz RPLCFSLENDVWOZ-UHFFFAOYSA-N 0 0 406.482 4.009 50 30 HIEARN C=CCc1cccc2cc(C(=O)NCCc3ccc(OCC)c(OCC)c3)c(=O)oc21 ZINC000000719196 568466010 /nfs/dbraw/zinc/46/60/10/568466010.db2.gz DQSYSANHBANOJP-UHFFFAOYSA-N 0 0 421.493 4.291 50 30 HIEARN N#CCSc1ccccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000007006676 568467214 /nfs/dbraw/zinc/46/72/14/568467214.db2.gz WDEPLFARMJQCEP-UHFFFAOYSA-N 0 0 400.887 4.169 50 30 HIEARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1OC ZINC000012323402 568471369 /nfs/dbraw/zinc/47/13/69/568471369.db2.gz CPKRKWKPOREKEX-VOJFVSQTSA-N 0 0 424.482 4.128 50 30 HIEARN CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000000801589 568484748 /nfs/dbraw/zinc/48/47/48/568484748.db2.gz QCOKIUCGLKMJNG-FQEVSTJZSA-N 0 0 420.490 4.320 50 30 HIEARN COC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000000814720 568489950 /nfs/dbraw/zinc/48/99/50/568489950.db2.gz ZFVXSSCKAWGUIQ-SECBINFHSA-N 0 0 413.282 4.428 50 30 HIEARN COc1ccccc1[C@H]1c2c([nH]n(-c3ccccc3)c2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000012348824 568495523 /nfs/dbraw/zinc/49/55/23/568495523.db2.gz VRBMEMDSGWATPL-HXUWFJFHSA-N 0 0 415.493 4.375 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 ZINC000003002050 568595739 /nfs/dbraw/zinc/59/57/39/568595739.db2.gz DTBQKZWQPGQIJU-HEWZJLJBSA-N 0 0 409.427 4.162 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 ZINC000002977411 568597396 /nfs/dbraw/zinc/59/73/96/568597396.db2.gz OIKHTICIHGEDLI-HXUWFJFHSA-N 0 0 408.458 4.400 50 30 HIEARN CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000020486626 568613111 /nfs/dbraw/zinc/61/31/11/568613111.db2.gz GRCXSYIEJLLTPR-UHFFFAOYSA-N 0 0 422.919 4.043 50 30 HIEARN COc1cc(-c2c3c(C)nn(-c4ccc(Cl)cc4)c3nc(N)c2C#N)ccc1O ZINC000020518494 568625590 /nfs/dbraw/zinc/62/55/90/568625590.db2.gz VMEGJLKDMWBOIM-UHFFFAOYSA-N 0 0 405.845 4.217 50 30 HIEARN CCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)c(C)c2)n(C)c1=O ZINC000096019752 568685686 /nfs/dbraw/zinc/68/56/86/568685686.db2.gz BQVNGWLRMCSWMG-UHFFFAOYSA-N 0 0 423.561 4.026 50 30 HIEARN Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)c1 ZINC000012418349 568718771 /nfs/dbraw/zinc/71/87/71/568718771.db2.gz WKXZSGPHASOJIQ-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN Cc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)cc1 ZINC000012418605 568719145 /nfs/dbraw/zinc/71/91/45/568719145.db2.gz WNHOYDQCRPWLBL-CMDGGOBGSA-N 0 0 404.495 4.049 50 30 HIEARN C=CCn1c(SCc2ccccc2C(=O)NCc2ccncc2)nnc1C(C)C ZINC000096290708 568720357 /nfs/dbraw/zinc/72/03/57/568720357.db2.gz KFKPIAJNDBGFEO-UHFFFAOYSA-N 0 0 407.543 4.205 50 30 HIEARN Cc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2NC3=NC2CCCC2)cc1F ZINC000096309791 568724254 /nfs/dbraw/zinc/72/42/54/568724254.db2.gz BYQFZUYCBSHWIU-XMMPIXPASA-N 0 0 421.520 4.383 50 30 HIEARN O=C1CCCC2=C1C(c1ccc(I)cc1)C1=C(CCCC1=O)O2 ZINC000096568805 568760844 /nfs/dbraw/zinc/76/08/44/568760844.db2.gz CSQCWRNZXGZJAW-UHFFFAOYSA-N 0 0 420.246 4.419 50 30 HIEARN COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1ccccc1 ZINC000002791202 568809924 /nfs/dbraw/zinc/80/99/24/568809924.db2.gz IYRZUKFFSYUXED-SSDVNMTOSA-N 0 0 404.442 4.407 50 30 HIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3cccc(Cl)c3C)o2)cnn1C ZINC000002797860 568810525 /nfs/dbraw/zinc/81/05/25/568810525.db2.gz JGISNVYTICWFBX-BHGWPJFGSA-N 0 0 414.893 4.444 50 30 HIEARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1Cl ZINC000002883475 568814187 /nfs/dbraw/zinc/81/41/87/568814187.db2.gz WAZPYRFPKFFHGF-UHFFFAOYSA-N 0 0 421.819 4.346 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C5(C)OCCO5)[C@]4(C)CC[C@@H]32)C1 ZINC000257355961 568817902 /nfs/dbraw/zinc/81/79/02/568817902.db2.gz DXUKESFRWHAYGS-GARZQROZSA-N 0 0 416.558 4.391 50 30 HIEARN CN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000029763920 568829959 /nfs/dbraw/zinc/82/99/59/568829959.db2.gz AKXXERDYTJKGDS-YBEGLDIGSA-N 0 0 402.274 4.192 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931425 568830010 /nfs/dbraw/zinc/83/00/10/568830010.db2.gz ITVFMEDENRGAKJ-LRDDRELGSA-N 0 0 410.543 4.256 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000012526624 568843213 /nfs/dbraw/zinc/84/32/13/568843213.db2.gz NNEDWULRSCLWOI-UHFFFAOYSA-N 0 0 404.473 4.408 50 30 HIEARN Cc1nn(CCC#N)c2c1[P@@](=O)(Nc1ccc(C)cc1)N(C)C(c1ccccc1)=N2 ZINC000003199097 568861297 /nfs/dbraw/zinc/86/12/97/568861297.db2.gz XVVNYWKTYHCZTN-SSEXGKCCSA-N 0 0 418.441 4.368 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 ZINC000012581774 568864480 /nfs/dbraw/zinc/86/44/80/568864480.db2.gz QDNFJMWBIOQMLM-FQEVSTJZSA-N 0 0 406.438 4.232 50 30 HIEARN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000003292693 568873955 /nfs/dbraw/zinc/87/39/55/568873955.db2.gz ZCGVHXPHLGXJGC-UHFFFAOYSA-N 0 0 414.889 4.460 50 30 HIEARN N#CCCN(C(=O)CSc1nnc(NCc2ccccc2)s1)c1ccccc1 ZINC000003296675 568875321 /nfs/dbraw/zinc/87/53/21/568875321.db2.gz RJIROEQNTUCLKZ-UHFFFAOYSA-N 0 0 409.540 4.189 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1ccccc1 ZINC000003338540 568883289 /nfs/dbraw/zinc/88/32/89/568883289.db2.gz NRWVMPLLFXNZTA-UHFFFAOYSA-N 0 0 416.453 4.463 50 30 HIEARN Cc1c(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cccc1[N+](=O)[O-] ZINC000003341871 568883839 /nfs/dbraw/zinc/88/38/39/568883839.db2.gz BQHMGMYWNMTGFH-UHFFFAOYSA-N 0 0 411.468 4.171 50 30 HIEARN O=C(C(=CNc1cc2c(oc1=O)CCCC2=O)C(=O)c1ccccc1)c1ccccc1 ZINC000004092028 568885544 /nfs/dbraw/zinc/88/55/44/568885544.db2.gz QDWHNFAXRLMYDC-UHFFFAOYSA-N 0 0 413.429 4.220 50 30 HIEARN CCc1nc2ccccc2c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1C ZINC000003361680 568888089 /nfs/dbraw/zinc/88/80/89/568888089.db2.gz PXHAATINIXPVRG-UHFFFAOYSA-N 0 0 401.466 4.209 50 30 HIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000003390030 568894058 /nfs/dbraw/zinc/89/40/58/568894058.db2.gz FSFZOWNVWYAJKE-UHFFFAOYSA-N 0 0 417.538 4.492 50 30 HIEARN CC(C)CCN1C(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2C1=O ZINC000003392808 568894824 /nfs/dbraw/zinc/89/48/24/568894824.db2.gz CQEOTRXUGRPLIB-UHFFFAOYSA-N 0 0 421.522 4.393 50 30 HIEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCC(=O)N1CCc2ccccc21 ZINC000003447227 568904768 /nfs/dbraw/zinc/90/47/68/568904768.db2.gz HNKSGYDAMQPOOR-UHFFFAOYSA-N 0 0 423.563 4.203 50 30 HIEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Br)cc(C)c1O ZINC000001270283 568909673 /nfs/dbraw/zinc/90/96/73/568909673.db2.gz UNFGGKWLDURNNG-SRZZPIQSSA-N 0 0 400.276 4.008 50 30 HIEARN COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OC ZINC000217755018 568910417 /nfs/dbraw/zinc/91/04/17/568910417.db2.gz KDMIUDAFVXHZSX-AWEZNQCLSA-N 0 0 410.422 4.022 50 30 HIEARN CC(=O)c1ccccc1OCCN(c1ccccc1)S(=O)(=O)c1ccccc1C#N ZINC000031079748 568912443 /nfs/dbraw/zinc/91/24/43/568912443.db2.gz HOKSIKISOCAFDY-UHFFFAOYSA-N 0 0 420.490 4.035 50 30 HIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1OC ZINC000001303901 568913523 /nfs/dbraw/zinc/91/35/23/568913523.db2.gz ZKQWXMBSFMAYSH-UHFFFAOYSA-N 0 0 405.479 4.368 50 30 HIEARN C[C@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000012742543 568929478 /nfs/dbraw/zinc/92/94/78/568929478.db2.gz ZYOOYEANQJKUOP-OAHLLOKOSA-N 0 0 408.506 4.371 50 30 HIEARN COc1cc(OC)c([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1OC ZINC000003959086 568930542 /nfs/dbraw/zinc/93/05/42/568930542.db2.gz AZULXODESLGWOR-JOCHJYFZSA-N 0 0 405.454 4.084 50 30 HIEARN COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@@H](c2ccc(C(C)C)cc2)N2NN=NC2=N1 ZINC000001417475 568935048 /nfs/dbraw/zinc/93/50/48/568935048.db2.gz GBCJJUWXIKOSJR-HXUWFJFHSA-N 0 0 417.469 4.027 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1F ZINC000016729317 568937237 /nfs/dbraw/zinc/93/72/37/568937237.db2.gz YLOLWLLJLONXDZ-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(OCC)cc1 ZINC000004119643 568944468 /nfs/dbraw/zinc/94/44/68/568944468.db2.gz XVWGRZDCGXHLBR-GBXCKJPGSA-N 0 0 424.493 4.422 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000004119622 568944530 /nfs/dbraw/zinc/94/45/30/568944530.db2.gz YOVHEWKELBMXQL-REWPJTCUSA-N 0 0 410.466 4.032 50 30 HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 ZINC000004182730 568949430 /nfs/dbraw/zinc/94/94/30/568949430.db2.gz MSTZTORQVACHGQ-ISJGIBHGSA-N 0 0 423.509 4.103 50 30 HIEARN C=CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 ZINC000004567641 568963832 /nfs/dbraw/zinc/96/38/32/568963832.db2.gz TYQGSRXOGLFWAK-OQKWZONESA-N 0 0 419.550 4.352 50 30 HIEARN C=CCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O ZINC000004754506 568964280 /nfs/dbraw/zinc/96/42/80/568964280.db2.gz XHGWPOLMWZOGLD-OQKWZONESA-N 0 0 419.550 4.352 50 30 HIEARN C=CCN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000004813954 568964414 /nfs/dbraw/zinc/96/44/14/568964414.db2.gz RTECWRJKUGXFQO-NRFANRHFSA-N 0 0 414.299 4.059 50 30 HIEARN C=CCOc1ccccc1CN(C(=O)c1c(C)noc1C)c1ccc2c(c1)OCCO2 ZINC000008073081 568971827 /nfs/dbraw/zinc/97/18/27/568971827.db2.gz QZFUDSMIHQNVEV-UHFFFAOYSA-N 0 0 420.465 4.474 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3n[nH]c(-c4cccs4)n3)sc2C1 ZINC000008273982 568986698 /nfs/dbraw/zinc/98/66/98/568986698.db2.gz IOGQTJARGFOXOF-SNVBAGLBSA-N 0 0 415.569 4.322 50 30 HIEARN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H]1CCOC1=O ZINC000006079129 568994077 /nfs/dbraw/zinc/99/40/77/568994077.db2.gz RQODTOQPYWCBNJ-LJQANCHMSA-N 0 0 407.495 4.118 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000012379081 568994763 /nfs/dbraw/zinc/99/47/63/568994763.db2.gz QFDHDAJACPDBHG-XLNRJJMWSA-N 0 0 419.550 4.040 50 30 HIEARN CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 ZINC000012592540 568995196 /nfs/dbraw/zinc/99/51/96/568995196.db2.gz FNPOLYLRTAVKHJ-FQEVSTJZSA-N 0 0 421.562 4.266 50 30 HIEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000012718677 568996512 /nfs/dbraw/zinc/99/65/12/568996512.db2.gz FYJBLWYNYOBAIO-HXUWFJFHSA-N 0 0 409.913 4.198 50 30 HIEARN C=CCn1c(-c2ccccc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013739526 569000638 /nfs/dbraw/zinc/00/06/38/569000638.db2.gz ZZLSAKXDCIPGKQ-VHXPQNKSSA-N 0 0 402.523 4.433 50 30 HIEARN C=C(C)Cn1c2sc3c(c2c2nc(-c4cccs4)nn2c1=O)CC(C)(C)OC3 ZINC000013725786 569000825 /nfs/dbraw/zinc/00/08/25/569000825.db2.gz YHQKTXBZJKHTBL-UHFFFAOYSA-N 0 0 412.540 4.262 50 30 HIEARN C=CCOc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1OC ZINC000014527738 569003020 /nfs/dbraw/zinc/00/30/20/569003020.db2.gz GESMSSZWAUBTET-UHFFFAOYSA-N 0 0 401.532 4.201 50 30 HIEARN C=CCCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@H]1CCCO1 ZINC000014976189 569004268 /nfs/dbraw/zinc/00/42/68/569004268.db2.gz LQGCEJFKVCOMGO-JOCHJYFZSA-N 0 0 423.557 4.317 50 30 HIEARN COc1cc(/C=C/c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc(OC)c1OC ZINC000008469941 569004291 /nfs/dbraw/zinc/00/42/91/569004291.db2.gz UOYCPHOTJAAUHZ-RMKNXTFCSA-N 0 0 409.417 4.494 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nc2sc(-c3ccccc3)cc2c1=O ZINC000006111689 569004738 /nfs/dbraw/zinc/00/47/38/569004738.db2.gz LYJDBEKBKCVSSB-ZDUSSCGKSA-N 0 0 411.552 4.070 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc(C)c(C)c2c1=O ZINC000000784811 569006039 /nfs/dbraw/zinc/00/60/39/569006039.db2.gz XVGYRKIZXJUWAD-UHFFFAOYSA-N 0 0 400.525 4.244 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1F ZINC000001056858 569006249 /nfs/dbraw/zinc/00/62/49/569006249.db2.gz OGEKFURZJCVXHU-UHFFFAOYSA-N 0 0 400.454 4.449 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1)N(C(C)=O)c1ccccc1-2 ZINC000002113672 569007010 /nfs/dbraw/zinc/00/70/10/569007010.db2.gz OJJZMNYOXIBYAW-OAQYLSRUSA-N 0 0 420.494 4.269 50 30 HIEARN C=CCOc1cc(Br)c(/C=C2/SC(=O)N(CC=C)C2=O)cc1OC ZINC000002128258 569007043 /nfs/dbraw/zinc/00/70/43/569007043.db2.gz HVSIFGIDLJJFMO-OQLLNIDSSA-N 0 0 410.289 4.245 50 30 HIEARN C=CCn1c(Cc2csc(NC(=O)Cc3ccc(Cl)cc3)n2)n[nH]c1=S ZINC000012865094 569012083 /nfs/dbraw/zinc/01/20/83/569012083.db2.gz CZPIURJPZARDTG-UHFFFAOYSA-N 0 0 405.936 4.009 50 30 HIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000012871254 569013257 /nfs/dbraw/zinc/01/32/57/569013257.db2.gz VXEXRMPPXDSODG-SFHVURJKSA-N 0 0 404.491 4.232 50 30 HIEARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C#N)cc3)sc2c1 ZINC000015868211 569017036 /nfs/dbraw/zinc/01/70/36/569017036.db2.gz FQMQHEKQRGIQHV-MRXNPFEDSA-N 0 0 415.478 4.145 50 30 HIEARN C=CCN(CC=C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000019841188 569018510 /nfs/dbraw/zinc/01/85/10/569018510.db2.gz LKRHYHYGIFHIHC-UHFFFAOYSA-N 0 0 402.542 4.131 50 30 HIEARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1ccc(C#N)cc1 ZINC000012925665 569023713 /nfs/dbraw/zinc/02/37/13/569023713.db2.gz PBPYRKZUVDFNKH-UHFFFAOYSA-N 0 0 410.495 4.061 50 30 HIEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4F)CC3)c2c1 ZINC000064473863 569063575 /nfs/dbraw/zinc/06/35/75/569063575.db2.gz QLGWSWWBTZMICJ-UHFFFAOYSA-N 0 0 402.473 4.087 50 30 HIEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)NCc2ccccc2F)CC1 ZINC000064473777 569063876 /nfs/dbraw/zinc/06/38/76/569063876.db2.gz FXGPLVHSBRYXGQ-UHFFFAOYSA-N 0 0 422.891 4.432 50 30 HIEARN N#CCN(C(=O)CSc1nc(C(F)(F)F)nc2ccccc21)c1ccccc1 ZINC000006588995 569068176 /nfs/dbraw/zinc/06/81/76/569068176.db2.gz FWOZLQRZPAIBKF-UHFFFAOYSA-N 0 0 402.401 4.297 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000006622028 569074980 /nfs/dbraw/zinc/07/49/80/569074980.db2.gz UYZOJXOLJZXZTI-HXUWFJFHSA-N 0 0 404.422 4.083 50 30 HIEARN N#Cc1cccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)c1 ZINC000064747774 569089043 /nfs/dbraw/zinc/08/90/43/569089043.db2.gz IBGVCFFFTRRZER-UHFFFAOYSA-N 0 0 402.435 4.076 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006720292 569098133 /nfs/dbraw/zinc/09/81/33/569098133.db2.gz RTDQFEYYJHLSSJ-QHCPKHFHSA-N 0 0 417.509 4.395 50 30 HIEARN COc1ccc(OC)c([C@@H]2C3C(=O)CCCC3=Nc3nc(-c4cccc(C)c4)nn32)c1 ZINC000006732446 569103530 /nfs/dbraw/zinc/10/35/30/569103530.db2.gz CBEVUAINNMQHNB-JOCHJYFZSA-N 0 0 416.481 4.293 50 30 HIEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccc(O)cc4)nn32)cc1 ZINC000006732562 569103607 /nfs/dbraw/zinc/10/36/07/569103607.db2.gz JLZQMBWAQTURLU-NRFANRHFSA-N 0 0 416.481 4.317 50 30 HIEARN C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCOC)cc1 ZINC000006732796 569103825 /nfs/dbraw/zinc/10/38/25/569103825.db2.gz ZYVGWYXDVVCLQX-QFIPXVFZSA-N 0 0 419.477 4.166 50 30 HIEARN CCOc1ccc(CNC(=O)CCCn2nc(CC)n3c4ccoc4cc3c2=O)cc1 ZINC000006750355 569109207 /nfs/dbraw/zinc/10/92/07/569109207.db2.gz MPKKXEJKTPAYAP-UHFFFAOYSA-N 0 0 422.485 4.140 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1n[nH]c(-c3ccccc3)n1)CCCCC2 ZINC000006788534 569122573 /nfs/dbraw/zinc/12/25/73/569122573.db2.gz VIKGMZTWMLFMPZ-UHFFFAOYSA-N 0 0 409.540 4.405 50 30 HIEARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006879706 569165284 /nfs/dbraw/zinc/16/52/84/569165284.db2.gz FGTHDGKWUPPFPL-KRWDZBQOSA-N 0 0 411.461 4.368 50 30 HIEARN CCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000006881950 569168143 /nfs/dbraw/zinc/16/81/43/569168143.db2.gz VVGVHFSSLRZZLT-UHFFFAOYSA-N 0 0 419.312 4.154 50 30 HIEARN S=C(NCc1ccccc1)N/N=C/c1ccc(OCCOc2ccccc2)cc1 ZINC000006927390 569183638 /nfs/dbraw/zinc/18/36/38/569183638.db2.gz CRSNXISKHSIFMT-XIEYBQDHSA-N 0 0 405.523 4.143 50 30 HIEARN COc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1N1CCCCC1 ZINC000006994197 569197010 /nfs/dbraw/zinc/19/70/10/569197010.db2.gz ZVTZUBVMYDAKCN-UHFFFAOYSA-N 0 0 405.527 4.430 50 30 HIEARN CC(C)(C)N=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000065260085 569211019 /nfs/dbraw/zinc/21/10/19/569211019.db2.gz USAKMYBFKNHZMO-DEOSSOPVSA-N 0 0 401.514 4.077 50 30 HIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1cccc(OC(F)(F)F)c1 ZINC000170179033 569227158 /nfs/dbraw/zinc/22/71/58/569227158.db2.gz ZLFIUDWXOSKQLK-UHFFFAOYSA-N 0 0 417.412 4.425 50 30 HIEARN N#CCC[C@H](C#N)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000007203547 569228640 /nfs/dbraw/zinc/22/86/40/569228640.db2.gz OCRKQGYKIKCBIF-CQSZACIVSA-N 0 0 406.536 4.472 50 30 HIEARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1sccc1C#N ZINC000007362264 569235292 /nfs/dbraw/zinc/23/52/92/569235292.db2.gz RUGIJUCESUXFSG-ZDUSSCGKSA-N 0 0 409.540 4.256 50 30 HIEARN COc1ccc(C=C2CCCC3=C2NC(NC#N)=N[C@H]3c2ccc(OC)cc2)cc1 ZINC000013301366 569254721 /nfs/dbraw/zinc/25/47/21/569254721.db2.gz KFPAWLRUFMXVSU-RRXSNJIPSA-N 0 0 400.482 4.296 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(F)c2)c1 ZINC000017057396 569272628 /nfs/dbraw/zinc/27/26/28/569272628.db2.gz DFFHRVRUDYFYDG-HXUWFJFHSA-N 0 0 404.397 4.012 50 30 HIEARN CCOc1ccc(Br)cc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000000936900 569276839 /nfs/dbraw/zinc/27/68/39/569276839.db2.gz OOGLOENQRAUVGN-QGZVFWFLSA-N 0 0 417.307 4.097 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccco1 ZINC000002334926 569282609 /nfs/dbraw/zinc/28/26/09/569282609.db2.gz ZRRFZMZSFJJWIK-UHFFFAOYSA-N 0 0 419.304 4.217 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1cccs1 ZINC000002399142 569282754 /nfs/dbraw/zinc/28/27/54/569282754.db2.gz ZQGQCCBZMXPVPL-UHFFFAOYSA-N 0 0 400.529 4.322 50 30 HIEARN O=S(=O)(c1ccc(N=Cc2ccc(Br)s2)cc1)N1CCCCC1 ZINC000252462823 569286991 /nfs/dbraw/zinc/28/69/91/569286991.db2.gz WPNGYBIYNFNRNA-UHFFFAOYSA-N 0 0 413.362 4.436 50 30 HIEARN O=C1[C@@H](ON=Cc2ccccc2OC(F)F)CCN1c1ccc(C(F)(F)F)cc1 ZINC000252504352 569291230 /nfs/dbraw/zinc/29/12/30/569291230.db2.gz ADILLRWJNQEFPP-INIZCTEOSA-N 0 0 414.330 4.463 50 30 HIEARN CCc1ccc(N=C2S/C(=C\c3ccc(OCC#N)c(OC)c3)C(=O)N2C)cc1 ZINC000252599736 569296826 /nfs/dbraw/zinc/29/68/26/569296826.db2.gz DKUQMUKDSQFKFR-OMSSWJLUSA-N 0 0 407.495 4.394 50 30 HIEARN CCOC(=O)c1c2c(sc1NC(=O)CON=C(C)c1cccs1)CCCC2 ZINC000252601000 569296915 /nfs/dbraw/zinc/29/69/15/569296915.db2.gz DWTYWWILISEYGW-UHFFFAOYSA-N 0 0 406.529 4.244 50 30 HIEARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2C#N)s1 ZINC000007735729 569304758 /nfs/dbraw/zinc/30/47/58/569304758.db2.gz YHEUSJYTUNHXNW-UHFFFAOYSA-N 0 0 411.512 4.283 50 30 HIEARN C=CCOC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002219050 569312118 /nfs/dbraw/zinc/31/21/18/569312118.db2.gz KUFGKUAKKGBAER-UHFFFAOYSA-N 0 0 408.845 4.161 50 30 HIEARN CCCCCNC(=O)c1c(N)n(/N=C/c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000002256550 569326452 /nfs/dbraw/zinc/32/64/52/569326452.db2.gz GIOXEZHISCCLLP-JFLMPSFJSA-N 0 0 414.513 4.277 50 30 HIEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000048547079 569358716 /nfs/dbraw/zinc/35/87/16/569358716.db2.gz OREFKOOOKDLHJU-VSNBDRDPSA-N 0 0 416.558 4.234 50 30 HIEARN CCOc1ccc(N(C(C)=O)C2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000027570437 569374132 /nfs/dbraw/zinc/37/41/32/569374132.db2.gz QLXMXJQJMDHXIQ-UHFFFAOYSA-N 0 0 418.493 4.215 50 30 HIEARN COc1ccc(NC(=O)CSc2nc(-c3cccc(OC)c3)ccc2C#N)cc1 ZINC000000662135 569384119 /nfs/dbraw/zinc/38/41/19/569384119.db2.gz DSQOQMIOKONMTR-UHFFFAOYSA-N 0 0 405.479 4.368 50 30 HIEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(Br)cn3)cc2)cc1 ZINC000000703883 569384196 /nfs/dbraw/zinc/38/41/96/569384196.db2.gz PCGSHAWUKHKLEJ-UHFFFAOYSA-N 0 0 408.255 4.400 50 30 HIEARN COc1ccc(C(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)cc1OC ZINC000002372334 569389146 /nfs/dbraw/zinc/38/91/46/569389146.db2.gz SQXSWFADIRHGLK-UHFFFAOYSA-N 0 0 405.479 4.316 50 30 HIEARN Cc1cccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(C)CC2)c1 ZINC000002424362 569398379 /nfs/dbraw/zinc/39/83/79/569398379.db2.gz HEARFAFSSLIGJE-OAQYLSRUSA-N 0 0 420.538 4.213 50 30 HIEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2ccc(C(C)C)cc2)c1=O ZINC000002434864 569399502 /nfs/dbraw/zinc/39/95/02/569399502.db2.gz CJVMMRHJBDAIEE-MZJWZYIUSA-N 0 0 422.492 4.486 50 30 HIEARN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)s1 ZINC000012786432 569403358 /nfs/dbraw/zinc/40/33/58/569403358.db2.gz IAXGZQRAEWVQRB-UHFFFAOYSA-N 0 0 412.740 4.496 50 30 HIEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1 ZINC000012893893 569404666 /nfs/dbraw/zinc/40/46/66/569404666.db2.gz LHYIPIMNUSQWMF-JJFYIABZSA-N 0 0 416.385 4.259 50 30 HIEARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1ccc(C#N)cc1 ZINC000013141761 569409754 /nfs/dbraw/zinc/40/97/54/569409754.db2.gz QTERIYXNTJLXJB-UHFFFAOYSA-N 0 0 413.227 4.171 50 30 HIEARN Cc1ccccc1-c1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1 ZINC000018254747 569414038 /nfs/dbraw/zinc/41/40/38/569414038.db2.gz RRGANGIPNIAZHF-UHFFFAOYSA-N 0 0 409.540 4.323 50 30 HIEARN C[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 ZINC000328592465 569415439 /nfs/dbraw/zinc/41/54/39/569415439.db2.gz RXQQZWNEWBXJIQ-KKSFZXQISA-N 0 0 420.440 4.442 50 30 HIEARN COc1ccccc1NC1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000079059063 569426146 /nfs/dbraw/zinc/42/61/46/569426146.db2.gz GIHKRBVXVHGTIY-UHFFFAOYSA-N 0 0 420.557 4.135 50 30 HIEARN C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)c4ccccc4)sc3C)cc21 ZINC000019820225 569430729 /nfs/dbraw/zinc/43/07/29/569430729.db2.gz WZYQLPYSXGYFCT-UHFFFAOYSA-N 0 0 405.479 4.282 50 30 HIEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000008687177 571101674 /nfs/dbraw/zinc/10/16/74/571101674.db2.gz WMVWANYBUHFNCK-MJHJUBQXSA-N 0 0 411.527 4.338 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 ZINC000008845238 571125462 /nfs/dbraw/zinc/12/54/62/571125462.db2.gz OTGQWGNUVQDSLN-SZNDQCEHSA-N 0 0 419.433 4.283 50 30 HIEARN Cc1cc(Cl)nc(Cl)c1S(=O)(=O)N/N=C\c1c(Cl)cccc1Cl ZINC000008854854 571127631 /nfs/dbraw/zinc/12/76/31/571127631.db2.gz OHAZCOCPYMKOGE-FXBPXSCXSA-N 0 0 413.113 4.316 50 30 HIEARN N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000040129911 571175809 /nfs/dbraw/zinc/17/58/09/571175809.db2.gz ULZNKJRALQWXFQ-UHFFFAOYSA-N 0 0 409.492 4.282 50 30 HIEARN COc1ccccc1CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000008992015 571207517 /nfs/dbraw/zinc/20/75/17/571207517.db2.gz IRAASZWFKPSSFW-UHFFFAOYSA-N 0 0 411.914 4.184 50 30 HIEARN Cc1ccc2[nH]c3c([nH]c(=O)n(N=C[C@@H](C)Cc4ccc(C(C)(C)C)cc4)c3=O)c2c1 ZINC000009320129 571247977 /nfs/dbraw/zinc/24/79/77/571247977.db2.gz FMGIUPWCRCVTIE-HEOQCTJZSA-N 0 0 416.525 4.490 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(Cl)cc3)C2)cc1 ZINC000009331615 571248819 /nfs/dbraw/zinc/24/88/19/571248819.db2.gz XVXKRKVTOPHLQJ-YCRPNKLZSA-N 0 0 406.873 4.356 50 30 HIEARN N#Cc1ccsc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009714845 571281602 /nfs/dbraw/zinc/28/16/02/571281602.db2.gz YASXRQJJLFWIDI-UHFFFAOYSA-N 0 0 417.899 4.326 50 30 HIEARN Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1 ZINC000005072619 845080409 /nfs/dbraw/zinc/08/04/09/845080409.db2.gz XTMZLDMTKCINDM-XIGQRACRSA-N 0 0 414.490 4.357 50 30 HIEARN COc1cc(Br)c(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1O ZINC000005231556 845093702 /nfs/dbraw/zinc/09/37/02/845093702.db2.gz JKLDECTZQKPVLY-RMKNXTFCSA-N 0 0 416.271 4.186 50 30 HIEARN CCOc1cc(/C=C2\CSc3c(F)cccc3C2=O)ccc1OCC(=O)N(C)C ZINC000014244872 845933061 /nfs/dbraw/zinc/93/30/61/845933061.db2.gz JJRICEQMHXXYBC-XNTDXEJSSA-N 0 0 415.486 4.063 50 30 HIEARN C=CCC(=O)NCc1nc(-c2ccccc2NC(=O)CCOc2ccccc2)oc1C ZINC000014987301 845997104 /nfs/dbraw/zinc/99/71/04/845997104.db2.gz ALTJUSGTTRUZQF-UHFFFAOYSA-N 0 0 419.481 4.250 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2cccnc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000022478765 846577254 /nfs/dbraw/zinc/57/72/54/846577254.db2.gz IMZLKTKTAAKGDW-QFIPXVFZSA-N 0 0 417.509 4.333 50 30 HIEARN NC(=NOCc1cc(Cl)c2c(c1)OCCCO2)c1cc(Br)cs1 ZINC000084335274 852544641 /nfs/dbraw/zinc/54/46/41/852544641.db2.gz SBAGOXKICBJBEN-UHFFFAOYSA-N 0 0 417.712 4.162 50 30 HIEARN C=CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S ZINC000096663134 852553778 /nfs/dbraw/zinc/55/37/78/852553778.db2.gz LQXMVMCLAWDPPC-OQLLNIDSSA-N 0 0 419.528 4.354 50 30 HIEARN O=C(C=CNc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1)C(F)(F)F ZINC000105808053 852729232 /nfs/dbraw/zinc/72/92/32/852729232.db2.gz LCRRRJGZCOYZCG-KHPPLWFESA-N 0 0 417.343 4.151 50 30 HIEARN Cc1cc(C)c(NC(=O)C=NOCC(=O)N[C@@H](C)CCc2ccccc2)c(Cl)c1 ZINC000254406762 854211051 /nfs/dbraw/zinc/21/10/51/854211051.db2.gz PMFVDNUZSVSSRZ-KRWDZBQOSA-N 0 0 415.921 4.035 50 30 HIEARN O[C@]1(c2ccc(OC(F)F)cc2)CSC(=Nc2cccnc2)N1Cc1ccco1 ZINC000254583058 854212611 /nfs/dbraw/zinc/21/26/11/854212611.db2.gz LBDHNFPYMBLBSB-FQEVSTJZSA-N 0 0 417.437 4.358 50 30 HIEARN COc1ccc(-c2nn(-c3ccccc3)cc2C=Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000254816642 854215131 /nfs/dbraw/zinc/21/51/31/854215131.db2.gz OITLHURIIPIBFU-UHFFFAOYSA-N 0 0 409.449 4.468 50 30 HIEARN CN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccccc1[N+](=O)[O-] ZINC000254799918 854215283 /nfs/dbraw/zinc/21/52/83/854215283.db2.gz AGTJZFMJBSBSNX-UHFFFAOYSA-N 0 0 404.398 4.139 50 30 HIEARN CCOc1ccc(S(=O)(=O)NN=C(C)c2ccc(N3CCCCCC3)cc2)cc1 ZINC000254899083 854215692 /nfs/dbraw/zinc/21/56/92/854215692.db2.gz VQOVTPJYYIHJBX-UHFFFAOYSA-N 0 0 415.559 4.168 50 30 HIEARN Cc1ccc(C(=O)N2CCSC2=Nc2cccc(Cl)c2C)cc1S(C)(=O)=O ZINC000254872818 854216000 /nfs/dbraw/zinc/21/60/00/854216000.db2.gz VQVPKDXRIBMXTH-UHFFFAOYSA-N 0 0 422.959 4.237 50 30 HIEARN Oc1ccc(Br)cc1C=NN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000254877516 854216351 /nfs/dbraw/zinc/21/63/51/854216351.db2.gz DEPNLGZHDYFRHI-UHFFFAOYSA-N 0 0 424.342 4.460 50 30 HIEARN N#Cc1c(Cl)cccc1N1CCC(C(=O)NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000001024058 132235089 /nfs/dbraw/zinc/23/50/89/132235089.db2.gz LHHFICASJUSTQI-UHFFFAOYSA-N 0 0 417.296 4.430 50 30 HIEARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(c1cccc(C#N)c1)C(=O)C2 ZINC000006742748 132314430 /nfs/dbraw/zinc/31/44/30/132314430.db2.gz CKCVFHRWXPTGPQ-XMMPIXPASA-N 0 0 402.425 4.393 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(OC)cc2OC)cc1 ZINC000040268078 518327510 /nfs/dbraw/zinc/32/75/10/518327510.db2.gz ZVBUMAQVNHLFOE-SFHVURJKSA-N 0 0 403.438 4.025 50 30 HIEARN C=C(C)CSc1nnc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)s1 ZINC000013009952 518626894 /nfs/dbraw/zinc/62/68/94/518626894.db2.gz ZCTMTKCFWUDTNG-UHFFFAOYSA-N 0 0 422.626 4.447 50 30 HIEARN C=CCN(C(=O)c1cccs1)[C@@H](C)C(=O)c1c(C)c(C(=O)OCC)n(CC)c1C ZINC000036005001 518740666 /nfs/dbraw/zinc/74/06/66/518740666.db2.gz MEHJOYYWFWHHGH-INIZCTEOSA-N 0 0 416.543 4.263 50 30 HIEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)NCCCC ZINC000035809429 518744307 /nfs/dbraw/zinc/74/43/07/518744307.db2.gz LLRLPMGKGDSAKG-UHFFFAOYSA-N 0 0 411.546 4.157 50 30 HIEARN C=CCN1C(=O)/C(=C\C=C\C=C\N(C(C)=O)c2ccc(OC)cc2)SC1=S ZINC000025757932 518830226 /nfs/dbraw/zinc/83/02/26/518830226.db2.gz BWNKJPPJEXACJU-MJIGFFOZSA-N 0 0 400.525 4.048 50 30 HIEARN C=CCN1C(=O)N[C@H](c2c(Cl)cccc2Cl)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010354339 518841404 /nfs/dbraw/zinc/84/14/04/518841404.db2.gz JKPBGMSMYXRVQR-KRWDZBQOSA-N 0 0 421.284 4.455 50 30 HIEARN C=CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NCc1ccc(Cl)cc1 ZINC000021865640 518849755 /nfs/dbraw/zinc/84/97/55/518849755.db2.gz WQRZBGBBBORKIO-HSZRJFAPSA-N 0 0 423.900 4.118 50 30 HIEARN C=CCN1c2ccc(C(=O)Nc3ccc(F)cc3)cc2-c2ccccc2S1(=O)=O ZINC000033271916 518875787 /nfs/dbraw/zinc/87/57/87/518875787.db2.gz PRRNCNJDYBRURM-UHFFFAOYSA-N 0 0 408.454 4.440 50 30 HIEARN C=CCOc1cccc2c1cc(C(=O)N1CCC[C@@H](C(=O)OCC)C1)n2C/C=C\C ZINC000035927731 519061602 /nfs/dbraw/zinc/06/16/02/519061602.db2.gz ZAFHVDMQXMGFLF-NCRRVARUSA-N 0 0 410.514 4.198 50 30 HIEARN C=CCOc1cccc2c1cc(C(=O)N1CCC(C(=O)OCC)CC1)n2C/C=C\C ZINC000035927726 519062729 /nfs/dbraw/zinc/06/27/29/519062729.db2.gz MJYVKAOPCHCTLF-DAXSKMNVSA-N 0 0 410.514 4.198 50 30 HIEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(CC)CC1)n2Cc1ccc(C)cc1 ZINC000035927704 519063740 /nfs/dbraw/zinc/06/37/40/519063740.db2.gz KMEBHWXEWNXNDR-UHFFFAOYSA-N 0 0 417.553 4.341 50 30 HIEARN C=CCSc1nc2ccccc2n1CN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000023508158 519083598 /nfs/dbraw/zinc/08/35/98/519083598.db2.gz GXLJCKZCYYXKNK-UHFFFAOYSA-N 0 0 406.555 4.297 50 30 HIEARN C=CCc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1OCC ZINC000032109668 519125618 /nfs/dbraw/zinc/12/56/18/519125618.db2.gz HVNCVQKTADGNEL-QFEZKATASA-N 0 0 408.502 4.380 50 30 HIEARN C=CCc1cc(CN=Nc2nc(C)cc(COC)c2C#N)cc(OCC)c1OCC ZINC000033958405 519125811 /nfs/dbraw/zinc/12/58/11/519125811.db2.gz HVNCVQKTADGNEL-AFUMVMLFSA-N 0 0 408.502 4.380 50 30 HIEARN CC(=O)Nc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984124 519721445 /nfs/dbraw/zinc/72/14/45/519721445.db2.gz RTJDDJGAQIRHRJ-UHFFFAOYSA-N 0 0 418.474 4.295 50 30 HIEARN CCCCCCCC1CCC(C(=O)N[C@@H](C(=O)NCC(=O)OCC)[C@H](C)CC)CC1 ZINC000097995705 519970127 /nfs/dbraw/zinc/97/01/27/519970127.db2.gz JCJDRNGOGNQUKC-FYYGKBSSSA-N 0 0 424.626 4.364 50 30 HIEARN CCCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032828864 520189919 /nfs/dbraw/zinc/18/99/19/520189919.db2.gz IINQLKYOTPZVJP-KRWDZBQOSA-N 0 0 400.891 4.144 50 30 HIEARN CCCCCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032828653 520229464 /nfs/dbraw/zinc/22/94/64/520229464.db2.gz FRDRRYWOBDUAPG-IBGZPJMESA-N 0 0 412.490 4.410 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C)cc1 ZINC000027533203 520530883 /nfs/dbraw/zinc/53/08/83/520530883.db2.gz PAKUCNMIPVLQEX-NQIIRXRSSA-N 0 0 403.478 4.243 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cc3cccc(OC)c3o2)C1=O ZINC000039996369 520536519 /nfs/dbraw/zinc/53/65/19/520536519.db2.gz AMFLMBNKIOCFOL-QGOAFFKASA-N 0 0 405.406 4.268 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cccc(OC)c2O)C1=O ZINC000036257983 520540855 /nfs/dbraw/zinc/54/08/55/520540855.db2.gz XPBYIMOIHOQDSY-LFIBNONCSA-N 0 0 415.442 4.084 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc(OC)cc2O)C1=O ZINC000036257998 520541108 /nfs/dbraw/zinc/54/11/08/520541108.db2.gz XWFBAJLXELFTBE-LICLKQGHSA-N 0 0 415.442 4.084 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001062915 520817176 /nfs/dbraw/zinc/81/71/76/520817176.db2.gz REFXNPCYFLRUJG-CVDCTZTESA-N 0 0 402.494 4.395 50 30 HIEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000009420551 521216709 /nfs/dbraw/zinc/21/67/09/521216709.db2.gz OFTQNSWGUWDSAE-XACIZNRCSA-N 0 0 417.255 4.396 50 30 HIEARN CCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O ZINC000009052187 521292186 /nfs/dbraw/zinc/29/21/86/521292186.db2.gz ZLZMMVCRWHOSHP-IDUWFGFVSA-N 0 0 403.228 4.331 50 30 HIEARN CCOC(=O)[C@](C)(F)OC(F)(F)[C@@](C)(F)OC(F)(F)C(F)(F)C(F)(F)F ZINC000100523284 521324198 /nfs/dbraw/zinc/32/41/98/521324198.db2.gz QCMMOZMMCFWTBJ-RQJHMYQMSA-N 0 0 416.183 4.337 50 30 HIEARN COc1cc(/C=C2/CN(Cc3ccccc3)C(=O)C2=O)ccc1OCc1ccccc1 ZINC000096035413 521949894 /nfs/dbraw/zinc/94/98/94/521949894.db2.gz AKDSFEAFPCPYDA-HMAPJEAMSA-N 0 0 413.473 4.269 50 30 HIEARN CN(C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1)c1cccs1 ZINC000020573513 522008436 /nfs/dbraw/zinc/00/84/36/522008436.db2.gz OLZJHYLHYYAMEX-OXJNMPFZSA-N 0 0 422.506 4.222 50 30 HIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(NC(C)=O)c3)c2)c1 ZINC000032905881 522190311 /nfs/dbraw/zinc/19/03/11/522190311.db2.gz ULAONCXTMBILEI-UHFFFAOYSA-N 0 0 412.445 4.084 50 30 HIEARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)ccc1O ZINC000253396207 522927084 /nfs/dbraw/zinc/92/70/84/522927084.db2.gz AWPHHJYETVUPEM-QREGZJMFSA-N 0 0 414.413 4.458 50 30 HIEARN CCn1cc(C(=O)Nc2nnc(C(F)(F)F)s2)c(=O)c2cc(Cl)ccc21 ZINC000032598230 523303043 /nfs/dbraw/zinc/30/30/43/523303043.db2.gz SBHHUYVUFRAWCP-UHFFFAOYSA-N 0 0 402.785 4.181 50 30 HIEARN COc1ccc(-n2ccnc2S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 ZINC000011395239 523336742 /nfs/dbraw/zinc/33/67/42/523336742.db2.gz ITOKENMIHBNWCW-KRWDZBQOSA-N 0 0 406.511 4.308 50 30 HIEARN COc1ccc(C(=O)/C=C/c2c(Cl)c3c(c(OC)c2Cl)OCC(=O)N3)cc1 ZINC000096336901 523539149 /nfs/dbraw/zinc/53/91/49/523539149.db2.gz MXBKBEXWQUUBAE-BQYQJAHWSA-N 0 0 408.237 4.238 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(F)c2)Nc2ccccc2OC)c1C ZINC000032972095 523639073 /nfs/dbraw/zinc/63/90/73/523639073.db2.gz HRWSWKWURDICLR-UHFFFAOYSA-N 0 0 423.492 4.066 50 30 HIEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(Br)cc1 ZINC000101662404 523723503 /nfs/dbraw/zinc/72/35/03/523723503.db2.gz KXEFEMMWMJDIHH-GALDBLJUSA-N 0 0 418.316 4.039 50 30 HIEARN COc1ccc(CN2C(=O)CS/C2=N\N=C(/C)c2ccc(OC(C)C)cc2)cc1 ZINC000001021658 524019770 /nfs/dbraw/zinc/01/97/70/524019770.db2.gz APNCGXUGASGTDJ-NGAXQJCKSA-N 0 0 411.527 4.338 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000027532598 524109868 /nfs/dbraw/zinc/10/98/68/524109868.db2.gz LOTZSJSTRPFCJF-JOCHJYFZSA-N 0 0 403.482 4.005 50 30 HIEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1 ZINC000024749441 524216823 /nfs/dbraw/zinc/21/68/23/524216823.db2.gz XQTDXVHCWQNQIX-UHFFFAOYSA-N 0 0 403.511 4.364 50 30 HIEARN Cc1cc(C)c(OCC(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(C)c1 ZINC000032945562 524308847 /nfs/dbraw/zinc/30/88/47/524308847.db2.gz JVHYWHBUNWSZMI-UHFFFAOYSA-N 0 0 408.498 4.098 50 30 HIEARN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)c1 ZINC000001266129 524800634 /nfs/dbraw/zinc/80/06/34/524800634.db2.gz AVADDCRMIZBMJY-MHWRWJLKSA-N 0 0 419.300 4.358 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2 ZINC000018067852 524803137 /nfs/dbraw/zinc/80/31/37/524803137.db2.gz JEYMVXTVOAKFMB-QFIPXVFZSA-N 0 0 403.482 4.005 50 30 HIEARN COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1O ZINC000100003696 525169441 /nfs/dbraw/zinc/16/94/41/525169441.db2.gz OHGUZBCLDFOJCT-HXUWFJFHSA-N 0 0 414.498 4.260 50 30 HIEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1O ZINC000021349486 525277303 /nfs/dbraw/zinc/27/73/03/525277303.db2.gz HJEDXGJZBIWUBJ-OYHNWAKOSA-N 0 0 418.449 4.361 50 30 HIEARN C[C@@H]1C[C@@H]1c1cc(NC(=O)C(=O)N2CCc3cc(F)ccc32)n(-c2ccccc2)n1 ZINC000328596536 525333496 /nfs/dbraw/zinc/33/34/96/525333496.db2.gz AUDWVXJLAGQHSV-KDOFPFPSSA-N 0 0 404.445 4.312 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N[C@@H](C)C(C)C)cc1 ZINC000032828933 525627323 /nfs/dbraw/zinc/62/73/23/525627323.db2.gz IRAUCLBUVJSYKU-OXJNMPFZSA-N 0 0 408.527 4.433 50 30 HIEARN Cc1c2c(cc3c1OCN(Cc1ccccn1)C3)C(=O)/C(=C\c1ccc(F)cc1)O2 ZINC000057176063 525933456 /nfs/dbraw/zinc/93/34/56/525933456.db2.gz IJPLESQQGDRUTA-UFFVCSGVSA-N 0 0 402.425 4.497 50 30 HIEARN Cc1ccc(C(=O)C2=CN(c3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1 ZINC000032984159 526032187 /nfs/dbraw/zinc/03/21/87/526032187.db2.gz ZWMZKTKHYGDATE-UHFFFAOYSA-N 0 0 419.458 4.373 50 30 HIEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000020617930 526389860 /nfs/dbraw/zinc/38/98/60/526389860.db2.gz FLFJTHDKVBPHSM-WSDLNYQXSA-N 0 0 406.467 4.370 50 30 HIEARN S=C1N=NCN1N=Cc1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000036611073 526391670 /nfs/dbraw/zinc/39/16/70/526391670.db2.gz WCVWTANMDRPJIH-NGYBGAFCSA-N 0 0 413.684 4.037 50 30 HIEARN N#C[C@@H](C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccn1 ZINC000032682208 526492597 /nfs/dbraw/zinc/49/25/97/526492597.db2.gz NCPLCZKQXIXGTD-GOSISDBHSA-N 0 0 411.870 4.026 50 30 HIEARN Cc1onc(-c2ccccc2)c1C(=O)On1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000001040793 526846674 /nfs/dbraw/zinc/84/66/74/526846674.db2.gz KCJXNCHVYQLMJX-UHFFFAOYSA-N 0 0 423.428 4.296 50 30 HIEARN O=C(COc1ccc(Br)cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000040049498 526947769 /nfs/dbraw/zinc/94/77/69/526947769.db2.gz XGOSJOSEZHNZDU-UHFFFAOYSA-N 0 0 407.267 4.261 50 30 HIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc2c(cc1Br)OCO2 ZINC000033293487 527042157 /nfs/dbraw/zinc/04/21/57/527042157.db2.gz XUUWMKJWTIEAMB-GIDUJCDVSA-N 0 0 421.247 4.209 50 30 HIEARN O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015134910 527043486 /nfs/dbraw/zinc/04/34/86/527043486.db2.gz ZEIKFOCAJLTVNQ-LOLMUVSESA-N 0 0 421.265 4.496 50 30 HIEARN O=S(=O)(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000032577645 527203128 /nfs/dbraw/zinc/20/31/28/527203128.db2.gz VUYJRVUTITVOHY-QRVIBDJDSA-N 0 0 418.877 4.371 50 30 HIEARN O=C(Nc1ccc(F)cc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(O)cc1 ZINC000064874131 527204985 /nfs/dbraw/zinc/20/49/85/527204985.db2.gz HNSQTKNYXLGAGR-NRFANRHFSA-N 0 0 418.428 4.002 50 30 HIEARN O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1cc(=O)c2ccccc2o1 ZINC000021681326 527474685 /nfs/dbraw/zinc/47/46/85/527474685.db2.gz XHQMKZUWUZEFPA-UHFFFAOYSA-N 0 0 417.490 4.444 50 30 HIEARN O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)c(F)c(F)c1F ZINC000040134433 527534235 /nfs/dbraw/zinc/53/42/35/527534235.db2.gz HEBZNEYEGZWYPD-UHFFFAOYSA-N 0 0 421.316 4.056 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(Cl)c1)Nc1ccc(C)cc1 ZINC000032973592 527622275 /nfs/dbraw/zinc/62/22/75/527622275.db2.gz YLRJBJSULBYREW-UHFFFAOYSA-N 0 0 423.948 4.439 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccccc1C ZINC000032973524 527622589 /nfs/dbraw/zinc/62/25/89/527622589.db2.gz BTMQVWQUICLUCQ-UHFFFAOYSA-N 0 0 417.557 4.403 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(C)c1)Nc1ccc(C)cc1C ZINC000032973565 527622835 /nfs/dbraw/zinc/62/28/35/527622835.db2.gz DNKZLEJZIAEXDI-UHFFFAOYSA-N 0 0 417.557 4.403 50 30 HIEARN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 ZINC000000672343 557050046 /nfs/dbraw/zinc/05/00/46/557050046.db2.gz SONMJESTCBEUTI-FYJGNVAPSA-N 0 0 421.906 4.419 50 30 HIEARN COc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000000681681 557055976 /nfs/dbraw/zinc/05/59/76/557055976.db2.gz DOEJNSFYOIWTIL-BUVRLJJBSA-N 0 0 419.506 4.011 50 30 HIEARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000685948 557058561 /nfs/dbraw/zinc/05/85/61/557058561.db2.gz XOBLETJKANKEKS-OAQYLSRUSA-N 0 0 405.523 4.410 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000000688398 557060041 /nfs/dbraw/zinc/06/00/41/557060041.db2.gz GNDSFUSIDQIWMB-JOCHJYFZSA-N 0 0 417.509 4.333 50 30 HIEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccccc2)s1 ZINC000000702443 557062474 /nfs/dbraw/zinc/06/24/74/557062474.db2.gz QSSHWUMBRYWKID-SFHVURJKSA-N 0 0 405.479 4.246 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1ccco1 ZINC000001074761 557172283 /nfs/dbraw/zinc/17/22/83/557172283.db2.gz OMGVMLPELGFZNJ-BXKMTCNYSA-N 0 0 420.509 4.270 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1Br ZINC000001130771 557198172 /nfs/dbraw/zinc/19/81/72/557198172.db2.gz QDYIKFYWVMKVIL-QGZVFWFLSA-N 0 0 410.267 4.191 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 ZINC000002055285 557302451 /nfs/dbraw/zinc/30/24/51/557302451.db2.gz BLHKIUDKPDLLFR-SFHVURJKSA-N 0 0 404.304 4.370 50 30 HIEARN CCOC(=O)C1=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C(=O)C1=O ZINC000002077692 557308530 /nfs/dbraw/zinc/30/85/30/557308530.db2.gz ICUXIVRRUNDRNH-UHFFFAOYSA-N 0 0 412.445 4.125 50 30 HIEARN CCc1ccc(N=C2NC(=O)C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N2)cc1 ZINC000002360530 557340442 /nfs/dbraw/zinc/34/04/42/557340442.db2.gz QXYKOHIQMRCVCF-INIZCTEOSA-N 0 0 404.392 4.212 50 30 HIEARN Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002525282 557354700 /nfs/dbraw/zinc/35/47/00/557354700.db2.gz JOEIRBYDVFVESF-UHFFFAOYSA-N 0 0 404.250 4.169 50 30 HIEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)NC2=C1C(=O)CCC2 ZINC000004062867 557508826 /nfs/dbraw/zinc/50/88/26/557508826.db2.gz JFMLUTCUTYQXSN-JOCHJYFZSA-N 0 0 413.514 4.023 50 30 HIEARN CCOC(=O)c1c(NC(=O)CO/N=C(/C)c2cccs2)sc2c1CCCC2 ZINC000004155023 557521030 /nfs/dbraw/zinc/52/10/30/557521030.db2.gz DWTYWWILISEYGW-MTJSOVHGSA-N 0 0 406.529 4.244 50 30 HIEARN CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)c1 ZINC000004189605 557527009 /nfs/dbraw/zinc/52/70/09/557527009.db2.gz LGTHLNMURRWVPX-XDCJIHQESA-N 0 0 406.482 4.316 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3ccncc3)C12 ZINC000004194209 557527387 /nfs/dbraw/zinc/52/73/87/557527387.db2.gz OXCDERFQKHAXTH-IBGZPJMESA-N 0 0 407.474 4.127 50 30 HIEARN CSc1nn(-c2ccccc2)cc1C(=N)NOC(=O)Nc1ccc(Cl)cc1 ZINC000004362482 557546771 /nfs/dbraw/zinc/54/67/71/557546771.db2.gz SBSFZADORYEHSK-UHFFFAOYSA-N 0 0 401.879 4.117 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1cccc(C(C)=O)c1 ZINC000004576624 557569482 /nfs/dbraw/zinc/56/94/82/557569482.db2.gz KQIILKGENGBZTL-LRVSTDGRSA-N 0 0 423.538 4.486 50 30 HIEARN Brc1ccc(CN=Nc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000004611441 557572182 /nfs/dbraw/zinc/57/21/82/557572182.db2.gz KDYHZNKSGGEUMH-AUEPDCJTSA-N 0 0 407.275 4.083 50 30 HIEARN CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000004661076 557577902 /nfs/dbraw/zinc/57/79/02/557577902.db2.gz UFQPFUUVYXYCTG-XGHAMVSDSA-N 0 0 409.511 4.163 50 30 HIEARN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccccc1Br ZINC000004690312 557581596 /nfs/dbraw/zinc/58/15/96/557581596.db2.gz YNRXJRKXDYHGSG-UHFFFAOYSA-N 0 0 402.075 4.428 50 30 HIEARN CCOc1cc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000004776960 557596942 /nfs/dbraw/zinc/59/69/42/557596942.db2.gz MLBFWSBVVNJZDO-HXOBKFHXSA-N 0 0 416.481 4.107 50 30 HIEARN CC(C)c1cc(C(C)C)n(C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000022649453 557606812 /nfs/dbraw/zinc/60/68/12/557606812.db2.gz UJXXVTONAUAEFW-UHFFFAOYSA-N 0 0 400.548 4.027 50 30 HIEARN CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000004914191 557613222 /nfs/dbraw/zinc/61/32/22/557613222.db2.gz YCVFPGYTNBGJNI-BEFAXECRSA-N 0 0 421.493 4.107 50 30 HIEARN CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc1 ZINC000004914256 557613423 /nfs/dbraw/zinc/61/34/23/557613423.db2.gz GJUBKBKBIFERIF-FXAWDEMLSA-N 0 0 405.494 4.271 50 30 HIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)c1 ZINC000004986788 557621036 /nfs/dbraw/zinc/62/10/36/557621036.db2.gz LAYGDKMSJVCSPN-KSSFIOAISA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 ZINC000004997220 557622771 /nfs/dbraw/zinc/62/27/71/557622771.db2.gz VRZBRNHMYANORQ-BUVRLJJBSA-N 0 0 421.480 4.199 50 30 HIEARN N#CCCn1cc(/C=C2\N=C(c3ccccc3)OC2=O)c(-c2ccc(Cl)cc2)n1 ZINC000005050700 557630511 /nfs/dbraw/zinc/63/05/11/557630511.db2.gz QTLYUKICTPNSAV-UYRXBGFRSA-N 0 0 402.841 4.462 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)O[C@@]1(O)CC(C)(C)CC(=O)[C@H]1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000005062845 557633018 /nfs/dbraw/zinc/63/30/18/557633018.db2.gz GORMMYWRNUWTJI-LEDOBFOHSA-N 0 0 413.470 4.046 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000005130493 557637580 /nfs/dbraw/zinc/63/75/80/557637580.db2.gz GNDSFUSIDQIWMB-QFIPXVFZSA-N 0 0 417.509 4.333 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000005595912 557664048 /nfs/dbraw/zinc/66/40/48/557664048.db2.gz NAEGYESWQJRDPV-DKSSEZFCSA-N 0 0 401.890 4.081 50 30 HIEARN O=S(=O)(N=C(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F)c1ccccc1 ZINC000006013542 557684098 /nfs/dbraw/zinc/68/40/98/557684098.db2.gz WTRHOKRIJYZKGK-UHFFFAOYSA-N 0 0 412.311 4.347 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccn1)c1ccccc1 ZINC000006445928 557702800 /nfs/dbraw/zinc/70/28/00/557702800.db2.gz KGWCWIFRWNGFDG-QHCPKHFHSA-N 0 0 423.472 4.384 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000006720039 557717121 /nfs/dbraw/zinc/71/71/21/557717121.db2.gz BRPYMQXBKFKNIF-AZUAARDMSA-N 0 0 411.885 4.406 50 30 HIEARN O=S(=O)(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 ZINC000002796127 557765294 /nfs/dbraw/zinc/76/52/94/557765294.db2.gz JEGBPEIXZBJWFY-XDHOZWIPSA-N 0 0 405.273 4.022 50 30 HIEARN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)N1CCCC1 ZINC000002886863 557768132 /nfs/dbraw/zinc/76/81/32/557768132.db2.gz WIAQMSKCJLRDTR-UHFFFAOYSA-N 0 0 417.581 4.087 50 30 HIEARN COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1I ZINC000008427012 557788140 /nfs/dbraw/zinc/78/81/40/557788140.db2.gz UJGBJOGZFDAFQN-LVZFUZTISA-N 0 0 421.234 4.197 50 30 HIEARN Cc1nnc(/N=C(\n2cnnc2)N2N=C(C)S[C@H]2c2cccc3ccccc32)s1 ZINC000008448144 557790484 /nfs/dbraw/zinc/79/04/84/557790484.db2.gz HTMMAZQUERQUQU-XENKUQMPSA-N 0 0 420.527 4.208 50 30 HIEARN COc1c(Br)csc1C(=O)ONC(=N)c1ccc(C(F)(F)F)cc1 ZINC000008618115 557797211 /nfs/dbraw/zinc/79/72/11/557797211.db2.gz FULNORCGUMDWPZ-UHFFFAOYSA-N 0 0 423.210 4.015 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008715663 557801321 /nfs/dbraw/zinc/80/13/21/557801321.db2.gz OBGANYMUPTWEDK-IIBYNOLFSA-N 0 0 407.510 4.252 50 30 HIEARN O=C1c2cccc3cccc(c32)C(=O)N1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000008834399 557811423 /nfs/dbraw/zinc/81/14/23/557811423.db2.gz KFOQYRWUHKNGTQ-UHFFFAOYSA-N 0 0 422.245 4.063 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009109962 557824018 /nfs/dbraw/zinc/82/40/18/557824018.db2.gz XPCONGHRZRRYIA-FQEVSTJZSA-N 0 0 400.390 4.378 50 30 HIEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000009311424 557836144 /nfs/dbraw/zinc/83/61/44/557836144.db2.gz JKEFQHNXIUOGOX-SRZZPIQSSA-N 0 0 409.358 4.145 50 30 HIEARN CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCc1ccccn1 ZINC000009483267 557843973 /nfs/dbraw/zinc/84/39/73/557843973.db2.gz PDVUHOCAVWZWAL-HXUWFJFHSA-N 0 0 418.541 4.052 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(F)F)cc1 ZINC000019732206 558259779 /nfs/dbraw/zinc/25/97/79/558259779.db2.gz LELQFIMBBPOOMK-SFHVURJKSA-N 0 0 405.441 4.455 50 30 HIEARN COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019791086 558282474 /nfs/dbraw/zinc/28/24/74/558282474.db2.gz YSYFGXZNQBAJQP-UHFFFAOYSA-N 0 0 407.510 4.446 50 30 HIEARN CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000019798437 558284846 /nfs/dbraw/zinc/28/48/46/558284846.db2.gz VWAJHVBNHSKGTF-PRWKNARSSA-N 0 0 417.889 4.378 50 30 HIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1c[nH]c2ccccc21 ZINC000012385022 558393925 /nfs/dbraw/zinc/39/39/25/558393925.db2.gz ONOKTFYAQLOIIC-DLQQFWPKSA-N 0 0 401.466 4.399 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1 ZINC000013162032 558524457 /nfs/dbraw/zinc/52/44/57/558524457.db2.gz NXLUGOAKYFPKCE-NRFANRHFSA-N 0 0 416.433 4.018 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000013286628 558529410 /nfs/dbraw/zinc/52/94/10/558529410.db2.gz BXKSOVBLTKPYSC-DVECYGJZSA-N 0 0 416.521 4.287 50 30 HIEARN CN(C)S(=O)(=O)c1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000013597442 558547572 /nfs/dbraw/zinc/54/75/72/558547572.db2.gz ZWLQBPGUCGUNSE-RGVLZGJSSA-N 0 0 420.947 4.160 50 30 HIEARN C[C@H](c1nnc(Sc2ccc(C#N)cn2)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000024830747 558614675 /nfs/dbraw/zinc/61/46/75/558614675.db2.gz AXWUHYNQANDBBH-OAHLLOKOSA-N 0 0 408.506 4.371 50 30 HIEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000004538176 558661295 /nfs/dbraw/zinc/66/12/95/558661295.db2.gz GCGXEURJFYTODY-OAQYLSRUSA-N 0 0 418.449 4.242 50 30 HIEARN COc1ccc([N+](=O)[O-])cc1/C=C1\S/C(=N/c2cccc(Cl)c2C)NC1=O ZINC000015016573 558702314 /nfs/dbraw/zinc/70/23/14/558702314.db2.gz IYEKVAHYYLLVMS-SXGWCWSVSA-N 0 0 403.847 4.457 50 30 HIEARN CN(Cc1ccccc1Br)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029696200 558719004 /nfs/dbraw/zinc/71/90/04/558719004.db2.gz RNSXOUDUOQGBAQ-INIZCTEOSA-N 0 0 421.298 4.118 50 30 HIEARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(C#N)c1C ZINC000004570307 558735350 /nfs/dbraw/zinc/73/53/50/558735350.db2.gz PUBWQFTWWWVIMW-ZDUSSCGKSA-N 0 0 417.556 4.052 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000001215582 558776315 /nfs/dbraw/zinc/77/63/15/558776315.db2.gz RQJKMHQEQGTWJX-RGVLZGJSSA-N 0 0 419.846 4.129 50 30 HIEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)NC(C)(C)C ZINC000004588080 558786921 /nfs/dbraw/zinc/78/69/21/558786921.db2.gz XIRDHHTYVFDIGR-UHFFFAOYSA-N 0 0 411.546 4.155 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CC1 ZINC000004589399 558789021 /nfs/dbraw/zinc/78/90/21/558789021.db2.gz UBOUUHHCTMNJTE-UHFFFAOYSA-N 0 0 400.519 4.149 50 30 HIEARN Cc1c(C)c(C)c(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(F)cc2)c(C)c1C ZINC000017089919 558818448 /nfs/dbraw/zinc/81/84/48/558818448.db2.gz UXXNSGYILQVMGM-MYKKPKGFSA-N 0 0 414.506 4.070 50 30 HIEARN O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(F)cc2)C1=C(O)C=Cc1ccccc1 ZINC000018157705 558832435 /nfs/dbraw/zinc/83/24/35/558832435.db2.gz RSXFATOVQYUTDO-UBLKFNIESA-N 0 0 400.409 4.403 50 30 HIEARN CC(C)Oc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1 ZINC000018208985 558833568 /nfs/dbraw/zinc/83/35/68/558833568.db2.gz HNRIEQAHNAHDKU-FNLSEGDXSA-N 0 0 401.919 4.291 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1c1cc(C)on1 ZINC000013570843 558844560 /nfs/dbraw/zinc/84/45/60/558844560.db2.gz HTTPHXPKRWGCPV-HXUWFJFHSA-N 0 0 404.422 4.083 50 30 HIEARN CCCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000033088360 558870188 /nfs/dbraw/zinc/87/01/88/558870188.db2.gz YPVWUYHCNXVFFT-UHFFFAOYSA-N 0 0 415.497 4.145 50 30 HIEARN N#Cc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033122812 558879322 /nfs/dbraw/zinc/87/93/22/558879322.db2.gz WSGDAXXAXUQRJJ-UHFFFAOYSA-N 0 0 402.435 4.076 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000004682469 558894515 /nfs/dbraw/zinc/89/45/15/558894515.db2.gz LDQLEPPUXQNBJO-KHUIZHDGSA-N 0 0 409.555 4.004 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000019624801 558947071 /nfs/dbraw/zinc/94/70/71/558947071.db2.gz HCSHYXMJDOYAPH-AUSIDOKSSA-N 0 0 402.494 4.396 50 30 HIEARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)Cn1cc(C#N)c(=O)c2ccccc21 ZINC000060381862 558948069 /nfs/dbraw/zinc/94/80/69/558948069.db2.gz DCCATGQWLVDUBM-UHFFFAOYSA-N 0 0 415.537 4.146 50 30 HIEARN CCC(CC)C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1nc(C)cc(C)n1 ZINC000065166419 558970351 /nfs/dbraw/zinc/97/03/51/558970351.db2.gz HAUHEIUZQNQZCZ-UHFFFAOYSA-N 0 0 406.534 4.138 50 30 HIEARN O=[N+]([O-])c1cc(CN=Nc2nnc(Cl)c3ccccc32)ccc1Br ZINC000004811471 559069231 /nfs/dbraw/zinc/06/92/31/559069231.db2.gz RHKLYJNDQMWYRL-QGMBQPNBSA-N 0 0 406.627 4.400 50 30 HIEARN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)c1ccc(F)cc1 ZINC000004814645 559077414 /nfs/dbraw/zinc/07/74/14/559077414.db2.gz OEUWBVJFLWBEDM-UHFFFAOYSA-N 0 0 413.474 4.166 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000095170311 559079416 /nfs/dbraw/zinc/07/94/16/559079416.db2.gz GZDKAOSNUQSMQD-QFIPXVFZSA-N 0 0 415.493 4.169 50 30 HIEARN CCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)S/C1=N/c1ccc(OC)cc1 ZINC000096515407 559111136 /nfs/dbraw/zinc/11/11/36/559111136.db2.gz QSRVGYZZPKHDJC-UYSHNFGTSA-N 0 0 412.467 4.056 50 30 HIEARN COc1cccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c1O ZINC000100006874 559128541 /nfs/dbraw/zinc/12/85/41/559128541.db2.gz PDBBQNRBKGCFKI-LJQANCHMSA-N 0 0 414.498 4.260 50 30 HIEARN C=CC[C@@]1(C#N)C(=S)NC(c2ccccc2)=C(C(=O)OCC)[C@H]1c1cccnc1 ZINC000100100853 559129796 /nfs/dbraw/zinc/12/97/96/559129796.db2.gz JARYIWRELCNLKV-XXBNENTESA-N 0 0 403.507 4.156 50 30 HIEARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(I)c(C)c1 ZINC000100149982 559130761 /nfs/dbraw/zinc/13/07/61/559130761.db2.gz AYBDFTZKCJQOPF-MBTVCVBTSA-N 0 0 417.250 4.341 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100553615 559136386 /nfs/dbraw/zinc/13/63/86/559136386.db2.gz BNGIKVUABZUKQY-XMSQKQJNSA-N 0 0 409.526 4.321 50 30 HIEARN COc1ccccc1NC1=CC(=NS(=O)(=O)c2ccccc2)c2ccccc2C1=O ZINC000100822127 559141188 /nfs/dbraw/zinc/14/11/88/559141188.db2.gz GTFZYECFHWDORG-QQTULTPQSA-N 0 0 418.474 4.066 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000103459482 559155902 /nfs/dbraw/zinc/15/59/02/559155902.db2.gz XXIAUQLGBJCRQD-IHIJCHFRSA-N 0 0 405.882 4.459 50 30 HIEARN COc1cc(/C=C2\CN(Cc3ccccc3)C(=O)C2=O)ccc1OCc1ccccc1 ZINC000072312324 559163624 /nfs/dbraw/zinc/16/36/24/559163624.db2.gz AKDSFEAFPCPYDA-HYARGMPZSA-N 0 0 413.473 4.269 50 30 HIEARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCc2ccccc2)C1 ZINC000004837327 559166427 /nfs/dbraw/zinc/16/64/27/559166427.db2.gz KZKWECNOANXDFR-QWFCFKBJSA-N 0 0 413.525 4.036 50 30 HIEARN Cc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1Cl ZINC000100262645 559190836 /nfs/dbraw/zinc/19/08/36/559190836.db2.gz ZPFSKYJGZBSNSR-IHIJCHFRSA-N 0 0 405.882 4.378 50 30 HIEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(Cl)c3)S2)cc1 ZINC000100361244 559197613 /nfs/dbraw/zinc/19/76/13/559197613.db2.gz FDHVPWGXQWGQEY-OLRQPGBRSA-N 0 0 417.918 4.247 50 30 HIEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(OC)cc2)CC1=O ZINC000004910647 559202304 /nfs/dbraw/zinc/20/23/04/559202304.db2.gz KWILWBJJESKSGW-LJQANCHMSA-N 0 0 419.525 4.406 50 30 HIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(OC)cc2)CC1=O ZINC000004910653 559202430 /nfs/dbraw/zinc/20/24/30/559202430.db2.gz KWILWBJJESKSGW-IBGZPJMESA-N 0 0 419.525 4.406 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1OC ZINC000004919295 559204698 /nfs/dbraw/zinc/20/46/98/559204698.db2.gz FFSVXIKTDLQMPE-KNQAVFIVSA-N 0 0 410.466 4.032 50 30 HIEARN CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OCC ZINC000004993027 559225304 /nfs/dbraw/zinc/22/53/04/559225304.db2.gz DBDRKGMNPBBFAU-OAQYLSRUSA-N 0 0 419.477 4.225 50 30 HIEARN C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1C ZINC000005044532 559236436 /nfs/dbraw/zinc/23/64/36/559236436.db2.gz CVSCQQGMBPUZKT-UHFFFAOYSA-N 0 0 405.498 4.192 50 30 HIEARN C[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OCc2ccccc2)C1 ZINC000005094149 559244387 /nfs/dbraw/zinc/24/43/87/559244387.db2.gz OVHBEHWVZLGXJN-IEBWSBKVSA-N 0 0 400.482 4.217 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(C)(C)CC1=O ZINC000100668945 559251379 /nfs/dbraw/zinc/25/13/79/559251379.db2.gz LKGQHKVFPKGOTN-UHFFFAOYSA-N 0 0 412.526 4.494 50 30 HIEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c([N+](=O)[O-])cc1OC ZINC000005186534 559290830 /nfs/dbraw/zinc/29/08/30/559290830.db2.gz VKJBOLUGGTZEQI-NVMNQCDNSA-N 0 0 413.455 4.120 50 30 HIEARN CO/N=C/NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000005209447 560538821 /nfs/dbraw/zinc/53/88/21/560538821.db2.gz LIQFDYXDGORKSA-NRFANRHFSA-N 0 0 406.869 4.409 50 30 HIEARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)OCc1ccc(C#N)cc1 ZINC000005233250 560547937 /nfs/dbraw/zinc/54/79/37/560547937.db2.gz CKXCUPCXLPDLMD-DEOSSOPVSA-N 0 0 400.478 4.138 50 30 HIEARN C[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000005309641 560563835 /nfs/dbraw/zinc/56/38/35/560563835.db2.gz OFPJBCCYVIPWCM-QGZVFWFLSA-N 0 0 408.523 4.408 50 30 HIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4Cl)nc3c2[C@@H]1c1ccco1 ZINC000005346117 560570227 /nfs/dbraw/zinc/57/02/27/560570227.db2.gz VTGCGEHKVNTOIE-QGZVFWFLSA-N 0 0 406.829 4.425 50 30 HIEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)o2)c1 ZINC000005408615 560583682 /nfs/dbraw/zinc/58/36/82/560583682.db2.gz WXHPVVUITAQWMI-OAQYLSRUSA-N 0 0 418.449 4.160 50 30 HIEARN N#Cc1ccccc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000003232921 560590241 /nfs/dbraw/zinc/59/02/41/560590241.db2.gz ALDXMAASZZEWCS-LDADJPATSA-N 0 0 406.438 4.481 50 30 HIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccc2c(c1)OCCO2 ZINC000005456929 560591591 /nfs/dbraw/zinc/59/15/91/560591591.db2.gz KOPPFTBJPYVAPG-VULFUBBASA-N 0 0 411.465 4.447 50 30 HIEARN COc1cccc(CN/C=C2\Nc3ccc(Br)c(Cl)c3C2=O)c1OC ZINC000100833041 560759632 /nfs/dbraw/zinc/75/96/32/560759632.db2.gz ZMEQHBKZRTUOJN-LCYFTJDESA-N 0 0 423.694 4.359 50 30 HIEARN N#Cc1cc(NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)c(=O)n2ccccc12 ZINC000100913442 560762681 /nfs/dbraw/zinc/76/26/81/560762681.db2.gz HAMJIBYYOWBLIX-UHFFFAOYSA-N 0 0 419.440 4.233 50 30 HIEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000046668056 560772267 /nfs/dbraw/zinc/77/22/67/560772267.db2.gz CXHBUPFGBAXNEE-QVKFZJNVSA-N 0 0 401.422 4.221 50 30 HIEARN COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC#N ZINC000005675519 560775636 /nfs/dbraw/zinc/77/56/36/560775636.db2.gz CDXMNCUSFKOGNV-YVLHZVERSA-N 0 0 400.843 4.492 50 30 HIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000018152780 560780093 /nfs/dbraw/zinc/78/00/93/560780093.db2.gz UYFPUEKZSIKQNM-FQEVSTJZSA-N 0 0 413.514 4.261 50 30 HIEARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1 ZINC000018196517 560782696 /nfs/dbraw/zinc/78/26/96/560782696.db2.gz KBYRMWBAAZOGDG-VOJFVSQTSA-N 0 0 423.494 4.152 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(Cl)c3)C2)cc1 ZINC000018219425 560784532 /nfs/dbraw/zinc/78/45/32/560784532.db2.gz SGRHVPCUQMXMHC-QVKFZJNVSA-N 0 0 406.873 4.356 50 30 HIEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294417 560791009 /nfs/dbraw/zinc/79/10/09/560791009.db2.gz VDIQEHSIIDPWCC-MRJHHRETSA-N 0 0 416.433 4.174 50 30 HIEARN COC(=O)/C=C1/S/C(=N/c2ccccc2)N(CCc2c[nH]c3ccc(C)cc23)C1=O ZINC000101379909 560793768 /nfs/dbraw/zinc/79/37/68/560793768.db2.gz QGCGXFOSZVGOBW-OYPKHVMMSA-N 0 0 419.506 4.339 50 30 HIEARN CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102401944 560810652 /nfs/dbraw/zinc/81/06/52/560810652.db2.gz CWLIPUQOONQPCG-VJGQLIPXSA-N 0 0 411.523 4.472 50 30 HIEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000102648876 560818980 /nfs/dbraw/zinc/81/89/80/560818980.db2.gz MKVUPVUNAWDYCP-JBCNATCCSA-N 0 0 418.449 4.085 50 30 HIEARN C[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)C1 ZINC000102724740 560821666 /nfs/dbraw/zinc/82/16/66/560821666.db2.gz OVHBEHWVZLGXJN-HKUYNNGSSA-N 0 0 400.482 4.217 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 ZINC000102735397 560822874 /nfs/dbraw/zinc/82/28/74/560822874.db2.gz MRLZDWLIWGYDFI-NYSCORLISA-N 0 0 415.445 4.225 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000102805013 560827007 /nfs/dbraw/zinc/82/70/07/560827007.db2.gz WTLLHFZYLIIGMO-HOGKFDNTSA-N 0 0 414.461 4.102 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1O ZINC000102802738 560828850 /nfs/dbraw/zinc/82/88/50/560828850.db2.gz DDZHBSPLAIIGSD-MOBKVPTQSA-N 0 0 415.445 4.336 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2)cc1 ZINC000102879249 560833527 /nfs/dbraw/zinc/83/35/27/560833527.db2.gz KJFCJVYYWDGMHK-WOOAAIBNSA-N 0 0 420.490 4.395 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000102881351 560833829 /nfs/dbraw/zinc/83/38/29/560833829.db2.gz XSXUBWFVAGHDNT-JBCNATCCSA-N 0 0 414.417 4.217 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccccc2)cc1 ZINC000102926742 560834471 /nfs/dbraw/zinc/83/44/71/560834471.db2.gz XUZZUBPTMXZNPS-SELCWUDQSA-N 0 0 406.463 4.168 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000102927189 560834498 /nfs/dbraw/zinc/83/44/98/560834498.db2.gz JRRJXPMTOONDJW-NHFXJNLRSA-N 0 0 418.405 4.118 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000102934625 560835698 /nfs/dbraw/zinc/83/56/98/560835698.db2.gz SGSLKOUXOJGDOZ-HOGKFDNTSA-N 0 0 414.461 4.497 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2ccsc2c1=O ZINC000104101836 560848139 /nfs/dbraw/zinc/84/81/39/560848139.db2.gz GVNQLVYAUYCRRJ-BYNSBNAKSA-N 0 0 405.589 4.066 50 30 HIEARN CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(O)cc1 ZINC000044973512 560898314 /nfs/dbraw/zinc/89/83/14/560898314.db2.gz AKPQKEKCLIHQRW-MRXNPFEDSA-N 0 0 410.543 4.467 50 30 HIEARN CC(=O)Nc1cccc(C(=O)N=C(NCc2ccncc2)Nc2cc(C)cc(C)c2)c1 ZINC000045940679 568422007 /nfs/dbraw/zinc/42/20/07/568422007.db2.gz MKVNNWCZKFAQAH-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)cc1)NCc1ccccn1 ZINC000046125578 568428484 /nfs/dbraw/zinc/42/84/84/568428484.db2.gz QNAKOUSQIJHGOO-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cc(Cl)ccc2OC)c1 ZINC000046125595 568428553 /nfs/dbraw/zinc/42/85/53/568428553.db2.gz HTMVARQMKVMMDI-UHFFFAOYSA-N 0 0 424.888 4.150 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1cccc(Cl)c1)NCc1ccccn1 ZINC000046126506 568428695 /nfs/dbraw/zinc/42/86/95/568428695.db2.gz DYZCURUTWKYJSS-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cc(C)ccc2C)cc1OC ZINC000046127527 568428800 /nfs/dbraw/zinc/42/88/00/568428800.db2.gz JELCVZHCRMUJGQ-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2cccnc2)Nc2cc(C)ccc2C)c1 ZINC000046127561 568428803 /nfs/dbraw/zinc/42/88/03/568428803.db2.gz HGEVXRKUMOHPMY-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN O=C(N=C(NC[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000046133072 568430279 /nfs/dbraw/zinc/43/02/79/568430279.db2.gz ZQFJDYNTZKSJSJ-KRWDZBQOSA-N 0 0 409.383 4.221 50 30 HIEARN N#CN=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000113480563 568450975 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N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003362431 568857529 /nfs/dbraw/zinc/85/75/29/568857529.db2.gz FZKKABQPUWKRBW-UHFFFAOYSA-N 0 0 413.433 4.001 50 30 HIEARN C=C(C)CSc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 ZINC000012562687 568858923 /nfs/dbraw/zinc/85/89/23/568858923.db2.gz KIUNXTKSGQCFKB-UHFFFAOYSA-N 0 0 423.589 4.030 50 30 HIEARN N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1Cl ZINC000012569198 568861339 /nfs/dbraw/zinc/86/13/39/568861339.db2.gz ZBCBQJTWAFTWLR-GFCCVEGCSA-N 0 0 407.779 4.222 50 30 HIEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000003219455 568863158 /nfs/dbraw/zinc/86/31/58/568863158.db2.gz ZVEWXXNOLDFZKT-UHFFFAOYSA-N 0 0 407.253 4.204 50 30 HIEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl ZINC000003640211 568865375 /nfs/dbraw/zinc/86/53/75/568865375.db2.gz LDGXOBJNOFGEBQ-MRXNPFEDSA-N 0 0 411.310 4.373 50 30 HIEARN C=CCOc1c(Cl)cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000003667745 568867309 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N#Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)cc1Cl ZINC000003405901 568897116 /nfs/dbraw/zinc/89/71/16/568897116.db2.gz BFIJYJKFPPVXIL-UHFFFAOYSA-N 0 0 418.884 4.192 50 30 HIEARN C=CCc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccc(OC)cc43)c(=O)oc21 ZINC000001424339 568938851 /nfs/dbraw/zinc/93/88/51/568938851.db2.gz RJRUPDPJWLIIIA-UHFFFAOYSA-N 0 0 416.477 4.292 50 30 HIEARN N#CCCN(C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccccc1 ZINC000004221025 568952476 /nfs/dbraw/zinc/95/24/76/568952476.db2.gz SUDFUCTUABNHEF-UHFFFAOYSA-N 0 0 400.434 4.163 50 30 HIEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000004275175 568958010 /nfs/dbraw/zinc/95/80/10/568958010.db2.gz INHZWIMHBAWUMK-UHFFFAOYSA-N 0 0 401.491 4.444 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)sc1C ZINC000004312248 568961107 /nfs/dbraw/zinc/96/11/07/568961107.db2.gz KZYIBXVQDRBFRB-MRXNPFEDSA-N 0 0 412.492 4.310 50 30 HIEARN C=CCc1cccc2cc(C(=O)N3CCN(c4ccccc4CC)CC3)c(=O)oc21 ZINC000004745206 568964271 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/nfs/dbraw/zinc/00/12/08/569001208.db2.gz ZOLIXSHIFHPEQO-UHFFFAOYSA-N 0 0 422.535 4.191 50 30 HIEARN O=C(NCC#Cc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000014198572 569002011 /nfs/dbraw/zinc/00/20/11/569002011.db2.gz OBBLNAYUPZHFCI-UHFFFAOYSA-N 0 0 402.519 4.033 50 30 HIEARN C=C(Cl)CSc1nnc([C@H](Cc2ccccc2)NC(=O)c2cccs2)n1C ZINC000014995504 569003948 /nfs/dbraw/zinc/00/39/48/569003948.db2.gz MGJKKOSBQOWALT-HNNXBMFYSA-N 0 0 418.975 4.435 50 30 HIEARN C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC ZINC000016702579 569005388 /nfs/dbraw/zinc/00/53/88/569005388.db2.gz HDVDFZOMLWVHOJ-LBPRGKRZSA-N 0 0 407.825 4.237 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2sc(CC)cc2c1=O ZINC000000909623 569006161 /nfs/dbraw/zinc/00/61/61/569006161.db2.gz KJEBGDKQNQTFMI-UHFFFAOYSA-N 0 0 400.525 4.190 50 30 HIEARN C=CCOc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000001821956 569006791 /nfs/dbraw/zinc/00/67/91/569006791.db2.gz MDFMHRVVHAVTQC-HKWRFOASSA-N 0 0 417.534 4.228 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)N(C(C)=O)c1ccccc1-2 ZINC000002113617 569006970 /nfs/dbraw/zinc/00/69/70/569006970.db2.gz CGPAWSQWLCQJTQ-NRFANRHFSA-N 0 0 420.494 4.269 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1cccc(C)c1 ZINC000002445852 569007370 /nfs/dbraw/zinc/00/73/70/569007370.db2.gz ODJZUFVUXIWJER-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN COc1ccccc1NC1=C(Cl)C(=O)C(Nc2ccccc2OC)=C(Cl)C1=O ZINC000001605166 569012609 /nfs/dbraw/zinc/01/26/09/569012609.db2.gz FMMAUQCYFYYBOR-UHFFFAOYSA-N 0 0 419.264 4.280 50 30 HIEARN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2ccc(Cl)cc2F)nc1C ZINC000012874100 569013456 /nfs/dbraw/zinc/01/34/56/569013456.db2.gz XYYNLHNNJQECDY-UHFFFAOYSA-N 0 0 409.899 4.230 50 30 HIEARN CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N ZINC000012874542 569013504 /nfs/dbraw/zinc/01/35/04/569013504.db2.gz PUKVXHWGQLRSGR-VFNWGFHPSA-N 0 0 423.900 4.352 50 30 HIEARN C=CCn1c(SCC(=O)NC2CC2)nnc1[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000017092553 569016905 /nfs/dbraw/zinc/01/69/05/569016905.db2.gz VPQYMABUSWYDOF-AWEZNQCLSA-N 0 0 420.966 4.245 50 30 HIEARN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000012898100 569020429 /nfs/dbraw/zinc/02/04/29/569020429.db2.gz WZXDCGVUSJYVPM-HXUWFJFHSA-N 0 0 407.420 4.247 50 30 HIEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000012898104 569020436 /nfs/dbraw/zinc/02/04/36/569020436.db2.gz WZXDCGVUSJYVPM-FQEVSTJZSA-N 0 0 407.420 4.247 50 30 HIEARN C=CCN1C(=O)[C@@H](C(=O)Nc2ccccc2)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 ZINC000016041460 569028142 /nfs/dbraw/zinc/02/81/42/569028142.db2.gz HCKWLIFVKPDIEV-KUQPJALBSA-N 0 0 402.494 4.332 50 30 HIEARN CCOc1cc(-c2nnc(NC(=O)c3ccc(C#N)cc3)o2)cc(OCC)c1OCC ZINC000016047586 569028397 /nfs/dbraw/zinc/02/83/97/569028397.db2.gz CTZBLEMWHYMNRX-UHFFFAOYSA-N 0 0 422.441 4.057 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006265791 569036107 /nfs/dbraw/zinc/03/61/07/569036107.db2.gz RDKQEVFOKHOGDK-NRFANRHFSA-N 0 0 418.449 4.337 50 30 HIEARN C[C@@H](OC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000006346464 569044552 /nfs/dbraw/zinc/04/45/52/569044552.db2.gz CVCDKPTXDRANSA-QGZVFWFLSA-N 0 0 400.434 4.321 50 30 HIEARN Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000006401571 569046781 /nfs/dbraw/zinc/04/67/81/569046781.db2.gz WLNSCHAXEGKWKN-FQEVSTJZSA-N 0 0 402.450 4.078 50 30 HIEARN COc1ccc(CN2C(N)=C(C#N)[C@@]3(c4ccccc4NC3=O)C3=C2CCCC3)cc1 ZINC000224107880 569052163 /nfs/dbraw/zinc/05/21/63/569052163.db2.gz UETHKOOPLSSYMI-NBGIEHNGSA-N 0 0 412.493 4.346 50 30 HIEARN C=CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 ZINC000001801465 569053371 /nfs/dbraw/zinc/05/33/71/569053371.db2.gz FNWGVZWIROZCMH-HEHNFIMWSA-N 0 0 405.523 4.044 50 30 HIEARN COc1ccc(Br)cc1C=NN1CCN(c2ccc(Cl)cc2)CC1 ZINC000244866649 569055197 /nfs/dbraw/zinc/05/51/97/569055197.db2.gz VZXXPDWJPVRQDR-UHFFFAOYSA-N 0 0 408.727 4.267 50 30 HIEARN CCc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)c2c1 ZINC000064473969 569063618 /nfs/dbraw/zinc/06/36/18/569063618.db2.gz ODWIHAXZXREJHH-UHFFFAOYSA-N 0 0 424.548 4.470 50 30 HIEARN N#Cc1c2c(sc1NC(=O)COC(=O)/C=C/c1ccc3ccccc3n1)CCCC2 ZINC000006558276 569065200 /nfs/dbraw/zinc/06/52/00/569065200.db2.gz CWARARFHISSKNA-VAWYXSNFSA-N 0 0 417.490 4.242 50 30 HIEARN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000035910998 569065947 /nfs/dbraw/zinc/06/59/47/569065947.db2.gz LCOLKJKVFUJXIO-UHFFFAOYSA-N 0 0 414.446 4.458 50 30 HIEARN CCSC1(SCC)NC(=N)[C@]2(C#N)[C@@H](c3ccccc3)NC3=C(CCC3)[C@@]12C#N ZINC000006576956 569066764 /nfs/dbraw/zinc/06/67/64/569066764.db2.gz HQVCKHDUVHSNFC-HLAWJBBLSA-N 0 0 423.611 4.320 50 30 aggregator HIEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SC[C@@H]1COc2ccccc2O1 ZINC000006602807 569070276 /nfs/dbraw/zinc/07/02/76/569070276.db2.gz ZOLHCXQDEKGIRL-AWEZNQCLSA-N 0 0 412.536 4.454 50 30 HIEARN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000005883963 569072098 /nfs/dbraw/zinc/07/20/98/569072098.db2.gz PZFDABDHQPPAJB-SFHVURJKSA-N 0 0 405.479 4.246 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccccc1Cl ZINC000006662065 569085467 /nfs/dbraw/zinc/08/54/67/569085467.db2.gz MGIINRVQHAWPAC-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)Cc1ccc(C(F)(F)F)cc1 ZINC000006662647 569085701 /nfs/dbraw/zinc/08/57/01/569085701.db2.gz KZVHICBGPDNUKJ-UNOMPAQXSA-N 0 0 403.400 4.165 50 30 HIEARN CCN1c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2Sc2ncccc2C1=O ZINC000064759548 569091039 /nfs/dbraw/zinc/09/10/39/569091039.db2.gz IMGDZYULOKXCBW-UHFFFAOYSA-N 0 0 400.463 4.337 50 30 HIEARN CCc1ccccc1NC(=S)N/N=C1\C(=O)Nc2ccc(N3CCC(C)CC3)cc21 ZINC000006711588 569096736 /nfs/dbraw/zinc/09/67/36/569096736.db2.gz KIWBWEOAKBZAOI-UHFFFAOYSA-N 0 0 421.570 4.128 50 30 HIEARN Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000006715306 569097577 /nfs/dbraw/zinc/09/75/77/569097577.db2.gz UYNKKWPYQYDBJP-DAFNUICNSA-N 0 0 400.507 4.233 50 30 HIEARN CCSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1C(=O)CCCC1=N2 ZINC000006738215 569106496 /nfs/dbraw/zinc/10/64/96/569106496.db2.gz OQLPCFNJVGUFGE-HNNXBMFYSA-N 0 0 405.321 4.175 50 30 HIEARN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc(OC)cc3)c(C)c12 ZINC000006756126 569112515 /nfs/dbraw/zinc/11/25/15/569112515.db2.gz XBGVGOYCWTUHGX-UHFFFAOYSA-N 0 0 421.493 4.232 50 30 HIEARN Cc1cccc(-n2nnnc2SCC(=O)c2cn(CCC#N)c3ccccc23)c1C ZINC000006821502 569140492 /nfs/dbraw/zinc/14/04/92/569140492.db2.gz VYPMGOVEGDWFDT-UHFFFAOYSA-N 0 0 416.510 4.123 50 30 HIEARN N#CCCN(CCC#N)C(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000006972780 569191984 /nfs/dbraw/zinc/19/19/84/569191984.db2.gz WIWXJYXWOIDBDK-UHFFFAOYSA-N 0 0 415.522 4.287 50 30 HIEARN CCN(CC)S(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2C#N)ccc1C ZINC000007141133 569225586 /nfs/dbraw/zinc/22/55/86/569225586.db2.gz OWPFNWQUYPFHCS-UHFFFAOYSA-N 0 0 420.922 4.195 50 30 HIEARN C=C(C)CSc1nnc(SCc2c(C#N)c(N)sc2C(=O)OCC)s1 ZINC000007230657 569229569 /nfs/dbraw/zinc/22/95/69/569229569.db2.gz PTWHWIKIAVUPJL-UHFFFAOYSA-N 0 0 412.587 4.191 50 30 HIEARN N#Cc1c2c(sc1NC(=O)Cc1csc(-c3ncccn3)n1)CCCCCC2 ZINC000065507126 569232953 /nfs/dbraw/zinc/23/29/53/569232953.db2.gz APQAYDOLXUCAMZ-UHFFFAOYSA-N 0 0 409.540 4.373 50 30 HIEARN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C#N)Cc1ccccc1 ZINC000089608840 569261061 /nfs/dbraw/zinc/26/10/61/569261061.db2.gz NEFQFHUUNJZGSK-GOSISDBHSA-N 0 0 407.470 4.313 50 30 HIEARN CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(C#N)cc1 ZINC000016890400 569266766 /nfs/dbraw/zinc/26/67/66/569266766.db2.gz NNRDFSHBVFUVTO-CLCOLTQESA-N 0 0 400.221 4.120 50 30 HIEARN COc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C#N)c4)nccn3n2)cc1 ZINC000016954715 569268307 /nfs/dbraw/zinc/26/83/07/569268307.db2.gz NSOJRIZOYKTCMB-UHFFFAOYSA-N 0 0 415.478 4.007 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000017113000 569274921 /nfs/dbraw/zinc/27/49/21/569274921.db2.gz PVWXDVYDYAKGIA-SFHVURJKSA-N 0 0 405.841 4.221 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nnnn4[C@H]3c3ccc(C(C)C)cc3)C2)cc1 ZINC000009660448 569285064 /nfs/dbraw/zinc/28/50/64/569285064.db2.gz RXMCLRYAOYCCAH-MBSDFSHPSA-N 0 0 415.497 4.221 50 30 HIEARN CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000002193817 569293883 /nfs/dbraw/zinc/29/38/83/569293883.db2.gz WMVWANYBUHFNCK-IIGRLWHBSA-N 0 0 411.527 4.338 50 30 HIEARN C=CCN(C(=O)CSc1nnc(C)n1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000007617703 569296140 /nfs/dbraw/zinc/29/61/40/569296140.db2.gz PTZGXSFLDCXLOM-UHFFFAOYSA-N 0 0 411.556 4.356 50 30 HIEARN Cc1nnc(N=C(n2cnnc2)N2N=C(C)S[C@@H]2c2cccc3ccccc32)s1 ZINC000252609506 569298161 /nfs/dbraw/zinc/29/81/61/569298161.db2.gz HTMMAZQUERQUQU-QGZVFWFLSA-N 0 0 420.527 4.208 50 30 HIEARN COc1ccc(N=C2S/C(=C3\Sc4ccc(OC)cc4N3C)C(=O)N2C)cc1 ZINC000252619075 569302624 /nfs/dbraw/zinc/30/26/24/569302624.db2.gz LLXKLWLCUHKREX-AZTPYQPHSA-N 0 0 413.524 4.308 50 30 HIEARN C[C@H](NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC000007781208 569309957 /nfs/dbraw/zinc/30/99/57/569309957.db2.gz QVDHSUKWCDLPLZ-INIZCTEOSA-N 0 0 416.506 4.175 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3ccccc3OC)C(=O)N2CC)cc1 ZINC000252628372 569311320 /nfs/dbraw/zinc/31/13/20/569311320.db2.gz SOMPOGAGBTWHLV-VUARGGTQSA-N 0 0 410.495 4.496 50 30 HIEARN CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2c3ccccc3cc3ccccc32)cc1 ZINC000252630317 569311670 /nfs/dbraw/zinc/31/16/70/569311670.db2.gz UZHAHAHHRZBZOJ-UHFFFAOYSA-N 0 0 417.490 4.264 50 30 HIEARN C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000007853854 569314735 /nfs/dbraw/zinc/31/47/35/569314735.db2.gz SHVAQWQZYZLFCR-JTQLQIEISA-N 0 0 419.601 4.434 50 30 HIEARN O=C(Oc1ccc(C=NNc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000252635745 569317137 /nfs/dbraw/zinc/31/71/37/569317137.db2.gz XAJREJNDJQJEPO-UHFFFAOYSA-N 0 0 406.354 4.168 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CN1CCC[C@@H]1c1nc3ccccc3s1)CCC2 ZINC000007910332 569321578 /nfs/dbraw/zinc/32/15/78/569321578.db2.gz XSOFWCOLJHGXMU-MRXNPFEDSA-N 0 0 408.552 4.494 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)o1 ZINC000102718045 569327221 /nfs/dbraw/zinc/32/72/21/569327221.db2.gz MTTMZPLFDHMQFZ-QGZVFWFLSA-N 0 0 408.292 4.209 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 ZINC000002299140 569369544 /nfs/dbraw/zinc/36/95/44/569369544.db2.gz TYQGSRXOGLFWAK-XLNRJJMWSA-N 0 0 419.550 4.352 50 30 HIEARN C=CCn1c(SCC(=O)N(CCC)CCC)nc2sc3c(c2c1=O)CCCC3 ZINC000002340510 569376316 /nfs/dbraw/zinc/37/63/16/569376316.db2.gz LAGFPDHDBCPARM-UHFFFAOYSA-N 0 0 419.616 4.264 50 30 HIEARN CC(=O)[C@@H]1[C@H]([C@H](C#N)C(N)=S)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253505031 569382334 /nfs/dbraw/zinc/38/23/34/569382334.db2.gz HKTPWOIJKNNTFE-XQXBWCIJSA-N 0 0 414.615 4.167 50 30 HIEARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(C)cc(C)c1C#N)CCC2 ZINC000000663276 569384042 /nfs/dbraw/zinc/38/40/42/569384042.db2.gz VFTVXOHXGHVPKG-UHFFFAOYSA-N 0 0 415.540 4.028 50 30 HIEARN C=C(C)COc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC ZINC000002399590 569394817 /nfs/dbraw/zinc/39/48/17/569394817.db2.gz GGZURGHIZXJFCS-SDQWYYNMSA-N 0 0 404.510 4.287 50 30 HIEARN CCOC(=O)c1cc(C#N)c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc1C ZINC000012981782 569405914 /nfs/dbraw/zinc/40/59/14/569405914.db2.gz SIXYAHJBOZCDMB-HXUWFJFHSA-N 0 0 423.538 4.284 50 30 HIEARN CCOc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc32)CC1 ZINC000038653253 571052536 /nfs/dbraw/zinc/05/25/36/571052536.db2.gz VSZSKPYZIVWZIO-UHFFFAOYSA-N 0 0 418.472 4.499 50 30 HIEARN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000008844478 571124894 /nfs/dbraw/zinc/12/48/94/571124894.db2.gz JLWYTQNQVXGWOK-UHFFFAOYSA-N 0 0 417.252 4.075 50 30 HIEARN C=CCNC(=O)c1ccccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000039555552 571133185 /nfs/dbraw/zinc/13/31/85/571133185.db2.gz WLPSPEKXUFFYHK-UHFFFAOYSA-N 0 0 406.511 4.354 50 30 HIEARN O=C(Nc1ccccn1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000068576077 571134082 /nfs/dbraw/zinc/13/40/82/571134082.db2.gz LORIXHKZCGMACT-ZETCQYMHSA-N 0 0 406.151 4.055 50 30 HIEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000040089614 571159623 /nfs/dbraw/zinc/15/96/23/571159623.db2.gz ISZDQCXYHIKIJT-IFMALSPDSA-N 0 0 422.488 4.311 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1ccccc1 ZINC000009128518 571227188 /nfs/dbraw/zinc/22/71/88/571227188.db2.gz LZAAACDPBIGICI-OAHLLOKOSA-N 0 0 424.526 4.226 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009217426 571237633 /nfs/dbraw/zinc/23/76/33/571237633.db2.gz DGXBUMZQWPHTHH-HSZRJFAPSA-N 0 0 417.538 4.352 50 30 HIEARN N#Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1Cl ZINC000009283346 571244891 /nfs/dbraw/zinc/24/48/91/571244891.db2.gz JYLKAVTWMMJYCJ-UHFFFAOYSA-N 0 0 418.836 4.238 50 30 HIEARN N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2C[C@H]1CCCO1 ZINC000009339127 571249666 /nfs/dbraw/zinc/24/96/66/571249666.db2.gz IYLAZNGDGGARHL-NWSMCOELSA-N 0 0 401.510 4.465 50 30 HIEARN COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)c1 ZINC000009423625 571257577 /nfs/dbraw/zinc/25/75/77/571257577.db2.gz UUPBAYSVSDRKIV-UUYOSTAYSA-N 0 0 400.434 4.059 50 30 HIEARN COC(=O)N1CCc2c(C#N)c(NC(=O)c3cc(Cl)sc3Cl)sc2C1 ZINC000009446716 571259571 /nfs/dbraw/zinc/25/95/71/571259571.db2.gz FBZYKXVNLYVQQC-UHFFFAOYSA-N 0 0 416.311 4.365 50 30 HIEARN NC(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)/C(=N/c2cccc(Cl)c2)S1 ZINC000009763347 571284738 /nfs/dbraw/zinc/28/47/38/571284738.db2.gz HQMNCDJVVYRIBV-LTUQMTLXSA-N 0 0 422.337 4.043 50 30 HIEARN COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(CCc2ccccc2)C1=O ZINC000009846287 571288216 /nfs/dbraw/zinc/28/82/16/571288216.db2.gz ADGWMGWPPURAAF-FWBDJVAPSA-N 0 0 418.877 4.342 50 30 HIEARN COc1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC ZINC000018140904 571308850 /nfs/dbraw/zinc/30/88/50/571308850.db2.gz IBXKOIFVZYJQKG-SSDVNMTOSA-N 0 0 407.451 4.380 50 30 HIEARN COc1ccc(C(=O)NC(=S)C2=C(O)C(=Cc3ccc(F)cc3F)CC2)cc1 ZINC000005446711 845113814 /nfs/dbraw/zinc/11/38/14/845113814.db2.gz NSIWAGUYPRRWJV-IDKBZEPQSA-N 0 0 401.434 4.093 50 30 HIEARN C=CCSc1nnc(NC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)s1 ZINC000006510131 845205599 /nfs/dbraw/zinc/20/55/99/845205599.db2.gz WLVDNTFCPVNFTF-MDZDMXLPSA-N 0 0 415.519 4.410 50 30 HIEARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(O)cc3)cc2)cc1 ZINC000007505596 845348760 /nfs/dbraw/zinc/34/87/60/845348760.db2.gz ZGGAFISKWZHYLO-SYZQJQIISA-N 0 0 409.463 4.098 50 30 HIEARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(C#N)cc1Cl ZINC000007857752 845432676 /nfs/dbraw/zinc/43/26/76/845432676.db2.gz RZLHGQWBQYEVFS-UHFFFAOYSA-N 0 0 416.890 4.141 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000083817811 852543735 /nfs/dbraw/zinc/54/37/35/852543735.db2.gz CCEXAXGMVZISGX-JLPGSUDCSA-N 0 0 423.988 4.338 50 30 HIEARN CCOc1cc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)cc(Br)c1O ZINC000221866441 853876193 /nfs/dbraw/zinc/87/61/93/853876193.db2.gz BDYIHTWBEGJVDN-HJWRWDBZSA-N 0 0 414.259 4.030 50 30 HIEARN S=C(NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)NC1CCCCC1 ZINC000254369259 854210466 /nfs/dbraw/zinc/21/04/66/854210466.db2.gz UZSBQDMVGSHROA-OJHKRINGSA-N 0 0 424.614 4.233 50 30 HIEARN CC(C)c1ccc(C=Nn2c(-c3ccc(O)c(C(N)=O)c3)csc2=NC2CC2)cc1 ZINC000254513333 854211762 /nfs/dbraw/zinc/21/17/62/854211762.db2.gz AJCBUPHAEPPBGH-UHFFFAOYSA-N 0 0 420.538 4.090 50 30 HIEARN COCCN=c1scc(-c2ccco2)n1N=Cc1ccccc1Br ZINC000254479754 854211837 /nfs/dbraw/zinc/21/18/37/854211837.db2.gz XMBONNZYBRSOFS-UHFFFAOYSA-N 0 0 406.305 4.001 50 30 HIEARN CC(=O)c1cccc(N2Cc3ccccc3C2=NC(=O)COc2ccc(C#N)cc2)c1 ZINC000254626536 854213620 /nfs/dbraw/zinc/21/36/20/854213620.db2.gz GKOYKWARGWACHT-UHFFFAOYSA-N 0 0 409.445 4.133 50 30 HIEARN COC(=O)c1ccc(C=CC(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)cc1 ZINC000328593936 855423028 /nfs/dbraw/zinc/42/30/28/855423028.db2.gz BTLHTJNGYSILII-RUDMXATFSA-N 0 0 404.369 4.302 50 30 HIEARN N#Cc1ncc(C(F)(F)F)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003047603 132262228 /nfs/dbraw/zinc/26/22/28/132262228.db2.gz AQNZMRWZGGRKBR-UHFFFAOYSA-N 0 0 400.326 4.317 50 30 HIEARN Cc1sc2ncnc(N3CCC(C(=O)OCc4ccc(C#N)cc4)CC3)c2c1C ZINC000003368226 132265370 /nfs/dbraw/zinc/26/53/70/132265370.db2.gz BSTKUDUUSXPGRO-UHFFFAOYSA-N 0 0 406.511 4.140 50 30 HIEARN C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)c2cccc(C)c21 ZINC000032092180 518266893 /nfs/dbraw/zinc/26/68/93/518266893.db2.gz XTPGFLXFTVTEIG-VWLOTQADSA-N 0 0 410.477 4.055 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(OC)cc2)cc1OC ZINC000036359071 518328582 /nfs/dbraw/zinc/32/85/82/518328582.db2.gz GYANAOYSZRMUTR-SFHVURJKSA-N 0 0 403.438 4.025 50 30 HIEARN C=CCN(C(=O)c1ccccc1)[C@H](C)C(=O)c1c(C)c(C(=O)OCC)n(CC)c1C ZINC000036005008 518740822 /nfs/dbraw/zinc/74/08/22/518740822.db2.gz QZPDBCYUYWQBIG-GOSISDBHSA-N 0 0 410.514 4.201 50 30 HIEARN C=CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccccc3)on1)CCCC2 ZINC000027989830 518932118 /nfs/dbraw/zinc/93/21/18/518932118.db2.gz YUODYMHTSNFXMF-UHFFFAOYSA-N 0 0 407.495 4.450 50 30 HIEARN C=CCOc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)OC3)cc1 ZINC000035143174 519042741 /nfs/dbraw/zinc/04/27/41/519042741.db2.gz PWUXBVYOLLQAJU-INIZCTEOSA-N 0 0 413.832 4.375 50 30 HIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 ZINC000033810311 519081629 /nfs/dbraw/zinc/08/16/29/519081629.db2.gz BYBQUGDXZDENFY-KRWDZBQOSA-N 0 0 423.538 4.257 50 30 HIEARN C=CCSc1nnc(NC(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2C)s1 ZINC000033502289 519085675 /nfs/dbraw/zinc/08/56/75/519085675.db2.gz WLVDNTFCPVNFTF-KTKRTIGZSA-N 0 0 415.519 4.410 50 30 HIEARN C=CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1OC ZINC000024613794 519128101 /nfs/dbraw/zinc/12/81/01/519128101.db2.gz RQLCCWOEVBLWOK-UHFFFAOYSA-N 0 0 422.506 4.477 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccc(C)cc1 ZINC000009479614 519219345 /nfs/dbraw/zinc/21/93/45/519219345.db2.gz WREYRGILKSOZQX-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN C=CCn1c(SCC(=O)Nc2nc3c(cccc3C)s2)nnc1-c1cccnc1 ZINC000035655238 519227836 /nfs/dbraw/zinc/22/78/36/519227836.db2.gz IGHWIMPOHLZQDK-UHFFFAOYSA-N 0 0 422.539 4.175 50 30 HIEARN C=CCn1cnn(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1=S ZINC000022504016 519284320 /nfs/dbraw/zinc/28/43/20/519284320.db2.gz YZJDOWVPPQDPOA-JOCHJYFZSA-N 0 0 422.554 4.222 50 30 HIEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=N)S1 ZINC000033354103 519971869 /nfs/dbraw/zinc/97/18/69/519971869.db2.gz KIBYASJKHOFMMA-KFMVTFPESA-N 0 0 400.504 4.380 50 30 HIEARN CCCCCCCCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O ZINC000096019750 520050193 /nfs/dbraw/zinc/05/01/93/520050193.db2.gz TXYNSBYDWYQLKW-UHFFFAOYSA-N 0 0 423.561 4.026 50 30 HIEARN CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102799195 520076833 /nfs/dbraw/zinc/07/68/33/520076833.db2.gz CSRLOLDGDZTGPH-MRJHHRETSA-N 0 0 409.482 4.403 50 30 HIEARN CCNc1c2ccccc2oc(=O)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000028048983 520256455 /nfs/dbraw/zinc/25/64/55/520256455.db2.gz IRINIAUDDGMSFK-OAHLLOKOSA-N 0 0 405.454 4.174 50 30 HIEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000006783489 520467170 /nfs/dbraw/zinc/46/71/70/520467170.db2.gz DGVNAEFBPBECDD-OAQYLSRUSA-N 0 0 418.449 4.242 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COC)c1 ZINC000000648992 520495939 /nfs/dbraw/zinc/49/59/39/520495939.db2.gz DQFHPDDHFJTAKY-NRFANRHFSA-N 0 0 413.514 4.009 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2ccc(O)cc2OC)C1=O ZINC000036258479 520537149 /nfs/dbraw/zinc/53/71/49/520537149.db2.gz KKAWUJUNVGCJEE-RQZCQDPDSA-N 0 0 415.442 4.084 50 30 HIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccc(OC)cc13)O2 ZINC000028182433 520742363 /nfs/dbraw/zinc/74/23/63/520742363.db2.gz QQVUQYJDNJZNEV-JJFYIABZSA-N 0 0 406.482 4.351 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000000626610 520816739 /nfs/dbraw/zinc/81/67/39/520816739.db2.gz OFYBZKVLSMRMMT-SFHVURJKSA-N 0 0 404.304 4.369 50 30 HIEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 ZINC000019798062 520819851 /nfs/dbraw/zinc/81/98/51/520819851.db2.gz UVTXOCAYKFCUOR-NRFANRHFSA-N 0 0 410.470 4.439 50 30 HIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019772342 520824733 /nfs/dbraw/zinc/82/47/33/520824733.db2.gz MCZUECQATIWKAX-XOBRGWDASA-N 0 0 401.528 4.074 50 30 HIEARN CCOc1ccc(Br)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000100164409 520863543 /nfs/dbraw/zinc/86/35/43/520863543.db2.gz LORPYMGUTOXFLD-LPYMAVHISA-N 0 0 414.303 4.396 50 30 HIEARN CCOc1ccc(C(=O)C(=NNc2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 ZINC000017027579 520871479 /nfs/dbraw/zinc/87/14/79/520871479.db2.gz FYVYKXNIMMKQOF-SGWCAAJKSA-N 0 0 412.449 4.433 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102517514 521233737 /nfs/dbraw/zinc/23/37/37/521233737.db2.gz QKINOYXVMQXBHZ-HOGKFDNTSA-N 0 0 414.461 4.102 50 30 HIEARN CCN1C/C(=C\c2cccc(OC)c2OC)C(=O)/C(=C\c2cccc(OC)c2OC)C1 ZINC000012648656 521541495 /nfs/dbraw/zinc/54/14/95/521541495.db2.gz RFNXRLVGGAQWGE-LRVMPXQBSA-N 0 0 423.509 4.093 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccc(OC)cc2)Nc2ccccc2)c(C)n1 ZINC000032972760 521650672 /nfs/dbraw/zinc/65/06/72/521650672.db2.gz BZGHYYXYWKQSSS-UHFFFAOYSA-N 0 0 405.502 4.008 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1ccccc1F)NCc1c(C)nn(C)c1C ZINC000032972425 521850556 /nfs/dbraw/zinc/85/05/56/521850556.db2.gz ALSIAUNRASSCNC-UHFFFAOYSA-N 0 0 407.493 4.137 50 30 HIEARN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000019798438 522235946 /nfs/dbraw/zinc/23/59/46/522235946.db2.gz VWAJHVBNHSKGTF-GIPWTMENSA-N 0 0 417.889 4.378 50 30 HIEARN COC(=O)/C=C1\S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2ccccc2)C1=O ZINC000101661952 522744991 /nfs/dbraw/zinc/74/49/91/522744991.db2.gz LEMPDBVLUFFGSY-FXQZNOIPSA-N 0 0 404.850 4.299 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1 ZINC000019907416 522880974 /nfs/dbraw/zinc/88/09/74/522880974.db2.gz GBLXGHIVLSYURK-FDDCHVKYSA-N 0 0 403.478 4.230 50 30 HIEARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 ZINC000001408943 523351196 /nfs/dbraw/zinc/35/11/96/523351196.db2.gz GOFJBOUUEAIDFE-UHFFFAOYSA-N 0 0 401.401 4.001 50 30 HIEARN COc1ccc(C(=O)C2=CN(c3ccc(OC)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984190 523571383 /nfs/dbraw/zinc/57/13/83/523571383.db2.gz SBXRQPVGTWLVNB-UHFFFAOYSA-N 0 0 421.474 4.354 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl ZINC000002055133 523968841 /nfs/dbraw/zinc/96/88/41/523968841.db2.gz XNXYLFXHFDUXNG-QGZVFWFLSA-N 0 0 410.297 4.151 50 30 HIEARN COc1ccccc1NC(=NCCc1c[nH]c2ccccc12)NC(=O)c1cccs1 ZINC000032943101 524329035 /nfs/dbraw/zinc/32/90/35/524329035.db2.gz PLMMEHRZZXHQSH-UHFFFAOYSA-N 0 0 418.522 4.488 50 30 HIEARN Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@](C)(C#N)C(C)C)n2n1 ZINC000021722533 524340862 /nfs/dbraw/zinc/34/08/62/524340862.db2.gz GLIRXEZUBSCVCI-JOCHJYFZSA-N 0 0 407.543 4.160 50 30 HIEARN COc1ccccc1NC(=NC(=O)c1cc(C)cc(C)c1)NCc1c(C)nn(C)c1C ZINC000032972562 524531156 /nfs/dbraw/zinc/53/11/56/524531156.db2.gz CTXOIIHLTWPLHW-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN C[C@@H]1CCO[P@@](=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000036372541 524547270 /nfs/dbraw/zinc/54/72/70/524547270.db2.gz FQVNDEYXCYMBGZ-MGEMXXMPSA-N 0 0 423.638 4.107 50 30 HIEARN COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C/c2cccs2)C3=O)cc1 ZINC000068736430 525091263 /nfs/dbraw/zinc/09/12/63/525091263.db2.gz AEARSJZYKJGODO-XDHOZWIPSA-N 0 0 414.460 4.141 50 30 HIEARN Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc3ccccc3n2CCC#N)c(C)c1 ZINC000024834674 525151269 /nfs/dbraw/zinc/15/12/69/525151269.db2.gz GYNYCBYPAJEEMH-MRXNPFEDSA-N 0 0 421.526 4.396 50 30 HIEARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000040286809 525268491 /nfs/dbraw/zinc/26/84/91/525268491.db2.gz TZBITADCRBXVEH-VLIAUNLRSA-N 0 0 406.417 4.197 50 30 HIEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1O ZINC000033321226 525438621 /nfs/dbraw/zinc/43/86/21/525438621.db2.gz VJHVMYJCFDPMKZ-FPTDNZKUSA-N 0 0 418.449 4.361 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NC2CCCC2)cc1 ZINC000032828815 525628069 /nfs/dbraw/zinc/62/80/69/525628069.db2.gz VJNMYJPLGVKCOQ-HXUWFJFHSA-N 0 0 406.511 4.331 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cccs2)cc1F ZINC000026532862 526028643 /nfs/dbraw/zinc/02/86/43/526028643.db2.gz PULKZMIRYMFDPS-IBGZPJMESA-N 0 0 408.454 4.369 50 30 HIEARN CSc1cccc(NC(=NC(=O)c2ccccc2C)NCc2c(C)nn(C)c2C)c1 ZINC000032972678 526105507 /nfs/dbraw/zinc/10/55/07/526105507.db2.gz CIYGMPACJRFJPZ-UHFFFAOYSA-N 0 0 421.570 4.465 50 30 HIEARN N#CN=C(Nc1ccccc1Cl)S[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O ZINC000113482133 526428139 /nfs/dbraw/zinc/42/81/39/526428139.db2.gz FCGSUMSDJMCHMY-OAHLLOKOSA-N 0 0 419.293 4.308 50 30 HIEARN N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2C[C@@H]1CCCO1 ZINC000009339126 526438419 /nfs/dbraw/zinc/43/84/19/526438419.db2.gz IYLAZNGDGGARHL-LXKSKSEUSA-N 0 0 401.510 4.465 50 30 HIEARN N#Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032829908 526577176 /nfs/dbraw/zinc/57/71/76/526577176.db2.gz YQGKMKTWJBODCS-UHFFFAOYSA-N 0 0 423.473 4.051 50 30 HIEARN O=C(Nc1ccccn1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000068576079 527439680 /nfs/dbraw/zinc/43/96/80/527439680.db2.gz LORIXHKZCGMACT-SSDOTTSWSA-N 0 0 406.151 4.055 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1cccc(C)c1 ZINC000032972349 527629406 /nfs/dbraw/zinc/62/94/06/527629406.db2.gz VAWBPRQEAYKECA-UHFFFAOYSA-N 0 0 409.921 4.397 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(C)c1)Nc1cccc(C)c1C ZINC000032972480 527629462 /nfs/dbraw/zinc/62/94/62/527629462.db2.gz YOGFMTHCGOPBRP-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN Cc1ccccc1NC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 ZINC000000716182 557067871 /nfs/dbraw/zinc/06/78/71/557067871.db2.gz ZYMKWULJAZHKBF-UHFFFAOYSA-N 0 0 404.491 4.293 50 30 aggregator HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@H]1c1ccc(C)o1 ZINC000000815799 557090122 /nfs/dbraw/zinc/09/01/22/557090122.db2.gz HUNZAGODPWZEQB-MWTRTKDXSA-N 0 0 407.466 4.131 50 30 HIEARN Cc1c(/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C ZINC000000872922 557107700 /nfs/dbraw/zinc/10/77/00/557107700.db2.gz OTIXITMLKWHBFE-OEAKJJBVSA-N 0 0 402.410 4.403 50 30 HIEARN Cc1nn(-c2ccccc2)c(C)c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 ZINC000001162217 557219106 /nfs/dbraw/zinc/21/91/06/557219106.db2.gz TZEHNPPXDLKCGV-WYMPLXKRSA-N 0 0 403.511 4.022 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F ZINC000001204429 557240353 /nfs/dbraw/zinc/24/03/53/557240353.db2.gz XCMJYVYIWWZJRQ-WAIKUNEKSA-N 0 0 421.468 4.369 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000001221172 557248398 /nfs/dbraw/zinc/24/83/98/557248398.db2.gz LDQQBJIDDDYHHM-PPAWOMOGSA-N 0 0 408.310 4.166 50 30 HIEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1OC ZINC000001473658 557269527 /nfs/dbraw/zinc/26/95/27/557269527.db2.gz XKSPHWBJOVYQFM-UKWGHVSLSA-N 0 0 409.298 4.440 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000002063595 557305035 /nfs/dbraw/zinc/30/50/35/557305035.db2.gz FVRSFIMETMJNLJ-NRFANRHFSA-N 0 0 413.514 4.261 50 30 HIEARN CC(=O)c1cccc(NC(=O)C(F)(F)[C@]2(F)OC(F)(F)C(F)(F)C2(F)F)c1 ZINC000002312780 557336455 /nfs/dbraw/zinc/33/64/55/557336455.db2.gz VHVHTCWCCSIRMZ-ZDUSSCGKSA-N 0 0 409.204 4.022 50 30 HIEARN CCCCCCCCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002313182 557336478 /nfs/dbraw/zinc/33/64/78/557336478.db2.gz OTROYJAYTZQXMN-UHFFFAOYSA-N 0 0 414.575 4.385 50 30 HIEARN CCNC(=S)N/N=C/c1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc21 ZINC000002542910 557355449 /nfs/dbraw/zinc/35/54/49/557355449.db2.gz JTJFFHAYNYHHAJ-MFKUBSTISA-N 0 0 421.522 4.276 50 30 HIEARN O=S(=O)(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000002573266 557357414 /nfs/dbraw/zinc/35/74/14/557357414.db2.gz PLRIJWKJMWASRP-HYARGMPZSA-N 0 0 400.887 4.231 50 30 HIEARN COc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 ZINC000002597743 557359192 /nfs/dbraw/zinc/35/91/92/557359192.db2.gz BBSJEQUIMPISPI-ZVHZXABRSA-N 0 0 423.469 4.374 50 30 HIEARN CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000002775712 557385277 /nfs/dbraw/zinc/38/52/77/557385277.db2.gz GINKYSZMLNMTBI-NRFANRHFSA-N 0 0 415.505 4.400 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000002844217 557402076 /nfs/dbraw/zinc/40/20/76/557402076.db2.gz IAPCWILQLNQMGA-OPAMFIHVSA-N 0 0 407.441 4.066 50 30 HIEARN CCCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004060434 557508372 /nfs/dbraw/zinc/50/83/72/557508372.db2.gz MLLJUIBYSLKTGY-NRFANRHFSA-N 0 0 413.514 4.261 50 30 HIEARN CCCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)NC2=C1C(=O)CCC2 ZINC000004062862 557508834 /nfs/dbraw/zinc/50/88/34/557508834.db2.gz JFMLUTCUTYQXSN-QFIPXVFZSA-N 0 0 413.514 4.023 50 30 HIEARN COc1ccc(C(=O)Oc2ccc(C=NNc3ccccc3)cc2OC)cc1OC ZINC000004113855 557515175 /nfs/dbraw/zinc/51/51/75/557515175.db2.gz JPTUFZFKUKUANC-BUVRLJJBSA-N 0 0 406.438 4.378 50 30 HIEARN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc21 ZINC000004116305 557515592 /nfs/dbraw/zinc/51/55/92/557515592.db2.gz ONOKTFYAQLOIIC-YIKPVDIZSA-N 0 0 401.466 4.399 50 30 HIEARN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)c1 ZINC000004664403 557578268 /nfs/dbraw/zinc/57/82/68/557578268.db2.gz MDGXKQZIWWKYPL-XGHAMVSDSA-N 0 0 410.495 4.496 50 30 HIEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccccc23)NC(=O)c2cccs2)n1 ZINC000004740399 557590467 /nfs/dbraw/zinc/59/04/67/557590467.db2.gz BKWZFVKYVGHBRE-UHFFFAOYSA-N 0 0 418.526 4.077 50 30 HIEARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000004776957 557596997 /nfs/dbraw/zinc/59/69/97/557596997.db2.gz MLBFWSBVVNJZDO-GAJHUEQPSA-N 0 0 416.481 4.107 50 30 HIEARN CC(C)Oc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(Cl)cc2)S1 ZINC000004819795 557602324 /nfs/dbraw/zinc/60/23/24/557602324.db2.gz HNRIEQAHNAHDKU-YPKZHZFPSA-N 0 0 401.919 4.291 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1[C@@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000004913539 557613252 /nfs/dbraw/zinc/61/32/52/557613252.db2.gz NAEGYESWQJRDPV-LJHODMEESA-N 0 0 401.890 4.081 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)cc1OC ZINC000004915258 557613757 /nfs/dbraw/zinc/61/37/57/557613757.db2.gz YJSMGHZINMFUJA-HOCLYGCPSA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)c1 ZINC000004916399 557614048 /nfs/dbraw/zinc/61/40/48/557614048.db2.gz YEUYCNSFDGJIQW-GUYCJALGSA-N 0 0 411.885 4.362 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000005027540 557627354 /nfs/dbraw/zinc/62/73/54/557627354.db2.gz OEEOWVHBBQDKLJ-YCRPNKLZSA-N 0 0 415.555 4.383 50 30 HIEARN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2cc(Cl)ccc2Cl)S1 ZINC000005047110 557629510 /nfs/dbraw/zinc/62/95/10/557629510.db2.gz XQFQTFARWRCVCJ-CTJICSLTSA-N 0 0 408.310 4.166 50 30 HIEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000005607724 557664973 /nfs/dbraw/zinc/66/49/73/557664973.db2.gz NCRZJAZEOVYPSY-HSZRJFAPSA-N 0 0 419.500 4.498 50 30 HIEARN O=C(C=CNc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000006078011 557686458 /nfs/dbraw/zinc/68/64/58/557686458.db2.gz UJTQTIBMTJKERB-OUKQBFOZSA-N 0 0 422.462 4.025 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CCC2 ZINC000006720725 557717295 /nfs/dbraw/zinc/71/72/95/557717295.db2.gz OQOQCIZLLODRGB-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000006819463 557725018 /nfs/dbraw/zinc/72/50/18/557725018.db2.gz ZOXKBZXTHZDKGZ-SJLPKXTDSA-N 0 0 421.493 4.107 50 30 HIEARN COc1ccc(C=Nn2cn[nH]c2=S)cc1COc1cccc(Br)c1 ZINC000002790130 557759796 /nfs/dbraw/zinc/75/97/96/557759796.db2.gz FMJZHGPDNNHPCS-AWQFTUOYSA-N 0 0 419.304 4.173 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008715671 557801280 /nfs/dbraw/zinc/80/12/80/557801280.db2.gz VPWVSDNNPXMRHO-KZULUSFZSA-N 0 0 420.292 4.261 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCOC)cc1 ZINC000008743973 557804411 /nfs/dbraw/zinc/80/44/11/557804411.db2.gz RCXGDABQLQLWAE-JOCHJYFZSA-N 0 0 423.509 4.181 50 30 HIEARN N#Cc1ccc(CN2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000022770875 557818285 /nfs/dbraw/zinc/81/82/85/557818285.db2.gz MWAKQQSAAIDFNH-UHFFFAOYSA-N 0 0 413.550 4.252 50 30 HIEARN CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(N(C)C)cc1 ZINC000004331416 558263145 /nfs/dbraw/zinc/26/31/45/558263145.db2.gz MNVYKJWUJQZGTA-KRWDZBQOSA-N 0 0 423.586 4.437 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(O)c1 ZINC000019770440 558279426 /nfs/dbraw/zinc/27/94/26/558279426.db2.gz BHFJGTSHHZWYLB-JPYJTQIMSA-N 0 0 403.478 4.317 50 30 HIEARN COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 ZINC000019772577 558280390 /nfs/dbraw/zinc/28/03/90/558280390.db2.gz DFTXUMHPBHOBGD-QFIPXVFZSA-N 0 0 409.507 4.468 50 30 HIEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000019805185 558285816 /nfs/dbraw/zinc/28/58/16/558285816.db2.gz VPCJGBRTUJFZQI-QFIPXVFZSA-N 0 0 409.482 4.259 50 30 HIEARN CCN1C/C(=C\c2ccc(OC)c(OC)c2)C(=O)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000020115550 558336477 /nfs/dbraw/zinc/33/64/77/558336477.db2.gz SYNCWLVIOGZJCG-AYKLPDECSA-N 0 0 423.509 4.093 50 30 HIEARN CCN1C/C(=C\c2ccc(OC)cc2OC)C(=O)/C(=C/c2ccc(OC)cc2OC)C1 ZINC000020115481 558336506 /nfs/dbraw/zinc/33/65/06/558336506.db2.gz IUJKRDRRWFRAHG-AYKLPDECSA-N 0 0 423.509 4.093 50 30 HIEARN CC(C)N1C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C1 ZINC000020470080 558374218 /nfs/dbraw/zinc/37/42/18/558374218.db2.gz FZIGLPSWWQODBI-GDAWTGGTSA-N 0 0 407.426 4.263 50 30 HIEARN COc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)cc1 ZINC000012342845 558386185 /nfs/dbraw/zinc/38/61/85/558386185.db2.gz PFJDADSLLGBQOU-MHBHXDGASA-N 0 0 421.444 4.268 50 30 HIEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nncn3C)sc2C1 ZINC000010800092 558454254 /nfs/dbraw/zinc/45/42/54/558454254.db2.gz UCRNLRUUYOZBSD-GFCCVEGCSA-N 0 0 403.577 4.020 50 30 HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccc(OC)cc3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000013151477 558523798 /nfs/dbraw/zinc/52/37/98/558523798.db2.gz MSTZTORQVACHGQ-SDHOMARFSA-N 0 0 423.509 4.103 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccco3)ccc2O1 ZINC000013161750 558524578 /nfs/dbraw/zinc/52/45/78/558524578.db2.gz IRUYSMYHMVMAGR-OYHNWAKOSA-N 0 0 415.445 4.382 50 30 HIEARN C=CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C)c(C)c1 ZINC000013371497 558530929 /nfs/dbraw/zinc/53/09/29/558530929.db2.gz BKPXPVFEMJGJDV-ZVHZXABRSA-N 0 0 417.962 4.399 50 30 HIEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)ccc1O ZINC000013682479 558567422 /nfs/dbraw/zinc/56/74/22/558567422.db2.gz XHIVTOGNOCFBAD-NYHFZMIOSA-N 0 0 418.449 4.361 50 30 HIEARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000014121733 558622482 /nfs/dbraw/zinc/62/24/82/558622482.db2.gz PGCCSVJDJQRIOA-KBPBESRZSA-N 0 0 409.939 4.381 50 30 HIEARN CCCCCCOc1ccc(OCCOc2cccc(/C=N/NC(N)=S)c2)cc1 ZINC000004512506 558627653 /nfs/dbraw/zinc/62/76/53/558627653.db2.gz DCENETFGHOTPGV-JJIBRWJFSA-N 0 0 415.559 4.271 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C(=O)CC(C)C ZINC000004526526 558653578 /nfs/dbraw/zinc/65/35/78/558653578.db2.gz RAZXWTBCLMOROC-UHFFFAOYSA-N 0 0 400.494 4.317 50 30 HIEARN C#Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 ZINC000072281280 558706957 /nfs/dbraw/zinc/70/69/57/558706957.db2.gz CEWDGVSFKOMNCD-YWZLYKJASA-N 0 0 415.896 4.044 50 30 HIEARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(C#N)c1C ZINC000004570293 558735108 /nfs/dbraw/zinc/73/51/08/558735108.db2.gz DIFOXHADXTWBKB-UHFFFAOYSA-N 0 0 417.556 4.054 50 30 HIEARN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2ccccc2)ccc1O ZINC000015769360 558752303 /nfs/dbraw/zinc/75/23/03/558752303.db2.gz INFVASQBBBGCDD-OAQYLSRUSA-N 0 0 419.408 4.323 50 30 HIEARN O=[N+]([O-])c1cccc(C(=NS(=O)(=O)c2ccc(Cl)cc2)Nc2ccccc2)c1 ZINC000015777276 558752601 /nfs/dbraw/zinc/75/26/01/558752601.db2.gz LAGVPIRWCIGJEE-UHFFFAOYSA-N 0 0 415.858 4.496 50 30 HIEARN COc1ccc(Br)cc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000015906532 558761729 /nfs/dbraw/zinc/76/17/29/558761729.db2.gz PWNRXLPGTMNZKW-LPYMAVHISA-N 0 0 422.754 4.263 50 30 HIEARN COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@@](C)(O)[C@@H]2C(C)=O)cc1OC ZINC000004952141 558781306 /nfs/dbraw/zinc/78/13/06/558781306.db2.gz UKYUDHVJWJPQCG-UBFVSLLYSA-N 0 0 423.509 4.103 50 30 HIEARN COc1cc(Cl)c(C(=O)C(=C(Nc2ccccc2)SC)[N+](=O)[O-])cc1OC ZINC000016310810 558785339 /nfs/dbraw/zinc/78/53/39/558785339.db2.gz NXSLHIFJUSOXEL-VLGSPTGOSA-N 0 0 408.863 4.461 50 30 HIEARN O=[N+]([O-])c1ccc(NC(=NS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000016319402 558786009 /nfs/dbraw/zinc/78/60/09/558786009.db2.gz IVZLWJUDOSWREK-UHFFFAOYSA-N 0 0 415.858 4.496 50 30 HIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1 ZINC000016732443 558802422 /nfs/dbraw/zinc/80/24/22/558802422.db2.gz QFOYKUIBJIQMIW-UNMCSNQZSA-N 0 0 419.477 4.009 50 30 HIEARN CCN=C(Nc1ccccc1OC)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000018164360 558832490 /nfs/dbraw/zinc/83/24/90/558832490.db2.gz CMMZVUGQOLOMBW-KRWDZBQOSA-N 0 0 417.918 4.011 50 30 HIEARN CC(=O)c1ccc(N2CSc3nc(-c4ccc(Cl)cc4)c(C#N)c(=O)n3C2)cc1 ZINC000013718869 558858479 /nfs/dbraw/zinc/85/84/79/558858479.db2.gz FJCVFMDFUQODJP-UHFFFAOYSA-N 0 0 422.897 4.165 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1F ZINC000013719672 558859473 /nfs/dbraw/zinc/85/94/73/558859473.db2.gz JZASITOVKGAPJB-IBGZPJMESA-N 0 0 424.453 4.069 50 30 HIEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)s1 ZINC000013728249 558860923 /nfs/dbraw/zinc/86/09/23/558860923.db2.gz AUVFKFPQLRDARQ-SFHVURJKSA-N 0 0 423.469 4.073 50 30 HIEARN CCCCCCCOC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc21 ZINC000097952944 558864865 /nfs/dbraw/zinc/86/48/65/558864865.db2.gz ACROZDUMOYOBBE-INIZCTEOSA-N 0 0 410.518 4.473 50 30 HIEARN CCOc1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1Br ZINC000013892870 558891254 /nfs/dbraw/zinc/89/12/54/558891254.db2.gz PUUUXOJIPSIUFS-UHFFFAOYSA-N 0 0 423.288 4.128 50 30 HIEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019535620 558913752 /nfs/dbraw/zinc/91/37/52/558913752.db2.gz XNGHNRIBAPIHCW-JOCHJYFZSA-N 0 0 423.509 4.317 50 30 HIEARN Cn1c(CCC(=O)OCc2ccc(-c3ccccc3C#N)cc2)nc(=O)c2ccccc21 ZINC000022415905 558990615 /nfs/dbraw/zinc/99/06/15/558990615.db2.gz ITZLQMVZODGUQC-UHFFFAOYSA-N 0 0 423.472 4.148 50 30 HIEARN Cc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000100020479 559128615 /nfs/dbraw/zinc/12/86/15/559128615.db2.gz HGQMZKKSBJDYMF-JCMHNJIXSA-N 0 0 404.491 4.481 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ccc([N+](=O)[O-])cc1[C@@H]2C1C(=O)CC(C)(C)CC1=O ZINC000100150161 559130752 /nfs/dbraw/zinc/13/07/52/559130752.db2.gz HPRTZYUKPYEWFQ-LJQANCHMSA-N 0 0 411.454 4.288 50 30 HIEARN O=C1c2ccccc2N/C1=C1\Sc2ccc3c(c2C1=O)C(=O)c1ccccc1C3=O ZINC000100368022 559134493 /nfs/dbraw/zinc/13/44/93/559134493.db2.gz MICHMZLWLWRNGG-CLCOLTQESA-N 0 0 409.422 4.270 50 30 HIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)c2cc(Cl)ccc2N)c1C#N ZINC000011673104 559171669 /nfs/dbraw/zinc/17/16/69/559171669.db2.gz MFIXFMGOGRCKKC-UHFFFAOYSA-N 0 0 414.893 4.123 50 30 HIEARN COc1ccc(C=NNc2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC ZINC000004856865 559192682 /nfs/dbraw/zinc/19/26/82/559192682.db2.gz IBXKOIFVZYJQKG-UHFFFAOYSA-N 0 0 407.451 4.380 50 30 HIEARN Cc1cc(N=NCc2cc(Br)ccc2O)nc(NCc2ccccc2)n1 ZINC000004856639 559192683 /nfs/dbraw/zinc/19/26/83/559192683.db2.gz ZRJWHKXJNTWQDA-WSDLNYQXSA-N 0 0 412.291 4.311 50 30 HIEARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000004899109 559199033 /nfs/dbraw/zinc/19/90/33/559199033.db2.gz BICVTMMKLQUWNP-ZVHZXABRSA-N 0 0 414.421 4.074 50 30 HIEARN N#Cc1nc(=O)n(-c2ccccc2)c(N)c1N=Cc1cccc(Oc2ccccc2)c1 ZINC000100419887 559199339 /nfs/dbraw/zinc/19/93/39/559199339.db2.gz DFCRQSDERJBNNK-ZIAJMNKWSA-N 0 0 407.433 4.060 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004944055 559214624 /nfs/dbraw/zinc/21/46/24/559214624.db2.gz DYXACLZYMOZSGQ-UHFFFAOYSA-N 0 0 422.598 4.232 50 30 HIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000004996896 559226055 /nfs/dbraw/zinc/22/60/55/559226055.db2.gz UUNZZQDVXLRECN-COPMAWBXSA-N 0 0 411.527 4.292 50 30 HIEARN CCN1C(=O)/C(=C/c2ccccc2F)S/C1=N\S(=O)(=O)c1ccc(Cl)cc1 ZINC000011859792 559263438 /nfs/dbraw/zinc/26/34/38/559263438.db2.gz ZPSXKGFETCHTHW-HWYZMAPZSA-N 0 0 424.906 4.160 50 30 HIEARN C=CCOc1c(Br)cc(CNCc2nc3ccccc3[nH]2)cc1OC ZINC000247868388 559274898 /nfs/dbraw/zinc/27/48/98/559274898.db2.gz CCEYPSCTTPBCGI-UHFFFAOYSA-N 0 0 402.292 4.189 50 30 HIEARN COc1cc2c(cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)oc1ccccc12 ZINC000005165136 559278439 /nfs/dbraw/zinc/27/84/39/559278439.db2.gz KLOLRKBTFMNGHQ-UHFFFAOYSA-N 0 0 415.449 4.343 50 30 HIEARN CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)CCCC1=O ZINC000100140308 560053409 /nfs/dbraw/zinc/05/34/09/560053409.db2.gz IJLCQLHEYNFARK-UHFFFAOYSA-N 0 0 408.420 4.493 50 30 biogenic,in-vitro HIEARN N#Cc1ccccc1NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000005305494 560563476 /nfs/dbraw/zinc/56/34/76/560563476.db2.gz SYGISZPDICKUIJ-UHFFFAOYSA-N 0 0 414.852 4.222 50 30 HIEARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000005354030 560569379 /nfs/dbraw/zinc/56/93/79/560569379.db2.gz WXWGKGFHPDKFNC-UHFFFAOYSA-N 0 0 417.421 4.354 50 30 HIEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C)o2)c1 ZINC000005408620 560583624 /nfs/dbraw/zinc/58/36/24/560583624.db2.gz SIJDUNLONLPTSA-OAQYLSRUSA-N 0 0 418.449 4.160 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000002621427 560586107 /nfs/dbraw/zinc/58/61/07/560586107.db2.gz KOVUCAFCZGNYJC-JOCHJYFZSA-N 0 0 423.517 4.220 50 30 HIEARN CCCCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 ZINC000005429159 560586415 /nfs/dbraw/zinc/58/64/15/560586415.db2.gz HFVWKGIHYSVSGS-KWJZBXMYSA-N 0 0 410.499 4.102 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccccc3OC(F)F)sc2C1 ZINC000003366887 560593121 /nfs/dbraw/zinc/59/31/21/560593121.db2.gz YQLRLYPCOFPTTO-LLVKDONJSA-N 0 0 420.437 4.141 50 30 HIEARN COc1ccc(C(=O)O/N=C(\c2ccccn2)[C@H]2C[C@H]2c2ccc(OC)cc2)cc1 ZINC000005527069 560605063 /nfs/dbraw/zinc/60/50/63/560605063.db2.gz DQHSSEBQPVXARH-GTQRJEEMSA-N 0 0 402.450 4.464 50 30 HIEARN COc1cc(NC(=O)c2cccc(C#N)c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000005617398 560631350 /nfs/dbraw/zinc/63/13/50/560631350.db2.gz NYURHZDFJINHHM-UHFFFAOYSA-N 0 0 401.422 4.080 50 30 HIEARN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N/O)[C@H](Sc1ccccc1)CC2 ZINC000017903303 560730049 /nfs/dbraw/zinc/73/00/49/560730049.db2.gz IOEXOESFPUIGLA-HDOZFUISSA-N 0 0 404.513 4.169 50 30 HIEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1cc2ccccc2oc1=O ZINC000100909722 560762549 /nfs/dbraw/zinc/76/25/49/560762549.db2.gz ZYUCNOVWIRLGBN-FCQUAONHSA-N 0 0 406.463 4.135 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100973842 560764644 /nfs/dbraw/zinc/76/46/44/560764644.db2.gz SEHXXVQOCORGOJ-WGGXDPCSSA-N 0 0 424.956 4.249 50 30 HIEARN CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C\NCCc2c[nH]c3ccccc23)C1=O ZINC000101031572 560766864 /nfs/dbraw/zinc/76/68/64/560766864.db2.gz NVPXLMDKHTZXFG-NBVRZTHBSA-N 0 0 414.461 4.188 50 30 HIEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 ZINC000018119479 560776918 /nfs/dbraw/zinc/77/69/18/560776918.db2.gz ZECVLFSFNCSXGV-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2ccccc2)cc1OC ZINC000018197681 560783443 /nfs/dbraw/zinc/78/34/43/560783443.db2.gz WGTYVOTYSDMBQK-YWZLYKJASA-N 0 0 417.465 4.091 50 30 HIEARN COc1ccc([C@H]2c3c(C)[nH]nc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1O ZINC000018198337 560783525 /nfs/dbraw/zinc/78/35/25/560783525.db2.gz IOPGHBKHZCAHAI-RBZFPXEDSA-N 0 0 407.495 4.452 50 30 HIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)[C@H](C)Oc2ccccc2)c1C#N ZINC000014776698 560784587 /nfs/dbraw/zinc/78/45/87/560784587.db2.gz WDTARIXTONYDRH-KRWDZBQOSA-N 0 0 409.486 4.041 50 30 HIEARN CCCCc1ccc(N2/C(=N\C(=O)C(CC)CC)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101459526 560794918 /nfs/dbraw/zinc/79/49/18/560794918.db2.gz MFVPAAJCWBLOPQ-QZDOXPCSSA-N 0 0 422.616 4.067 50 30 HIEARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000101628641 560797425 /nfs/dbraw/zinc/79/74/25/560797425.db2.gz QNIHYYNAKYDDOU-VXLYETTFSA-N 0 0 411.330 4.426 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C\c1cnc2ccccc2n1 ZINC000102272232 560809514 /nfs/dbraw/zinc/80/95/14/560809514.db2.gz SJAIZHKWZYFOJC-NVADRVSOSA-N 0 0 413.477 4.067 50 30 HIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)c1 ZINC000102799141 560828173 /nfs/dbraw/zinc/82/81/73/560828173.db2.gz HCJFWSSUSURGJI-JBCNATCCSA-N 0 0 403.409 4.461 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102802667 560828858 /nfs/dbraw/zinc/82/88/58/560828858.db2.gz QYZXACNRGFYVIE-MRJHHRETSA-N 0 0 403.409 4.461 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102802666 560828898 /nfs/dbraw/zinc/82/88/98/560828898.db2.gz QYZXACNRGFYVIE-JBCNATCCSA-N 0 0 403.409 4.461 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000102861947 560832064 /nfs/dbraw/zinc/83/20/64/560832064.db2.gz LMXMEZMBNVWMQZ-SQUHQTGPSA-N 0 0 403.887 4.002 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102864592 560832527 /nfs/dbraw/zinc/83/25/27/560832527.db2.gz JAUFVBUHVILHTN-MRJHHRETSA-N 0 0 418.449 4.180 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102877605 560833391 /nfs/dbraw/zinc/83/33/91/560833391.db2.gz CDQZVYOQDAXVJR-MRJHHRETSA-N 0 0 407.510 4.361 50 30 HIEARN O=C1[C@@H](c2ccccc2)S/C(=N\S(=O)(=O)c2cccs2)N1c1ccccc1 ZINC000102922751 560834184 /nfs/dbraw/zinc/83/41/84/560834184.db2.gz MAGWHHLITARTQY-FTHOYRMOSA-N 0 0 414.533 4.314 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102929597 560835429 /nfs/dbraw/zinc/83/54/29/560835429.db2.gz PGQFWJPXDANGEO-NHFXJNLRSA-N 0 0 418.405 4.118 50 30 HIEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000104187103 560849276 /nfs/dbraw/zinc/84/92/76/560849276.db2.gz LYFKVDWSUUBYPB-SELCWUDQSA-N 0 0 419.506 4.462 50 30 HIEARN O=C(N/C(=N/c1cccc(C(F)(F)F)c1)NCc1ccncc1)c1cccc(F)c1 ZINC000045940449 568421847 /nfs/dbraw/zinc/42/18/47/568421847.db2.gz WKGGGKBQWBFKHQ-UHFFFAOYSA-N 0 0 416.378 4.447 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000046132165 568428242 /nfs/dbraw/zinc/42/82/42/568428242.db2.gz GTUUUAWGWJAWQU-QGZVFWFLSA-N 0 0 401.894 4.034 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2ccc(OC)c(OC)c2)NCc2ccccn2)c1 ZINC000046125938 568428498 /nfs/dbraw/zinc/42/84/98/568428498.db2.gz LSMAYLCQIUHQGC-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCc2ccccn2)cc1Cl ZINC000046126197 568428613 /nfs/dbraw/zinc/42/86/13/568428613.db2.gz BJCSCCMWGZKKQY-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(Cl)c2C)c1 ZINC000046127486 568428831 /nfs/dbraw/zinc/42/88/31/568428831.db2.gz RNWNSCPCOUKIES-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1cccnc1 ZINC000046128317 568429038 /nfs/dbraw/zinc/42/90/38/568429038.db2.gz OENWVDJLQJDVOT-UHFFFAOYSA-N 0 0 402.498 4.414 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000046129069 568429115 /nfs/dbraw/zinc/42/91/15/568429115.db2.gz RAOVZCCVNIFXGH-KRWDZBQOSA-N 0 0 401.894 4.116 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)c(Cl)c2)cc1 ZINC000046129383 568429116 /nfs/dbraw/zinc/42/91/16/568429116.db2.gz CYBWEAZEVPNVAL-IBGZPJMESA-N 0 0 415.921 4.424 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCCO1 ZINC000046129815 568429186 /nfs/dbraw/zinc/42/91/86/568429186.db2.gz VYWUKKDVJPZTGZ-AWEZNQCLSA-N 0 0 423.847 4.004 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(Cl)c2C)c1 ZINC000046129970 568429230 /nfs/dbraw/zinc/42/92/30/568429230.db2.gz RQMXSWCFPVORSH-KRWDZBQOSA-N 0 0 401.894 4.034 50 30 HIEARN CC(=O)Nc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C(C)C)cc2)cc1 ZINC000046130632 568429290 /nfs/dbraw/zinc/42/92/90/568429290.db2.gz CBZRFIFCBQNWIK-JOCHJYFZSA-N 0 0 422.529 4.145 50 30 HIEARN CC(=O)Nc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C(C)C)cc2)cc1 ZINC000046130627 568429322 /nfs/dbraw/zinc/42/93/22/568429322.db2.gz CBZRFIFCBQNWIK-QFIPXVFZSA-N 0 0 422.529 4.145 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(Cl)cc2C)cc1 ZINC000046132935 568430316 /nfs/dbraw/zinc/43/03/16/568430316.db2.gz GFQIOUZJLQJFTR-IBGZPJMESA-N 0 0 415.921 4.424 50 30 HIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@H]1CCCO1 ZINC000046132857 568430321 /nfs/dbraw/zinc/43/03/21/568430321.db2.gz HVRMQVNYKXKGND-OAHLLOKOSA-N 0 0 407.848 4.304 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(Cl)cc2C)cc1 ZINC000046132939 568430330 /nfs/dbraw/zinc/43/03/30/568430330.db2.gz GFQIOUZJLQJFTR-LJQANCHMSA-N 0 0 415.921 4.424 50 30 HIEARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2O)cc1COc1ccc(C#N)cc1 ZINC000000653917 568459816 /nfs/dbraw/zinc/45/98/16/568459816.db2.gz LJSQGUKVETYLAX-QFIPXVFZSA-N 0 0 401.422 4.102 50 30 HIEARN CCc1nc(SCC(=O)NCc2ccc(OC)cc2)c(C#N)c(C(F)(F)F)c1C ZINC000000663928 568460377 /nfs/dbraw/zinc/46/03/77/568460377.db2.gz RETOJOGQOKJEGG-UHFFFAOYSA-N 0 0 423.460 4.260 50 30 HIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c(OC)c1 ZINC000012322909 568471159 /nfs/dbraw/zinc/47/11/59/568471159.db2.gz MIPUWJARNBMVMA-NSPYISDASA-N 0 0 424.482 4.128 50 30 HIEARN COc1ccc(CCNc2oc(COc3ccc(Cl)cc3)nc2C#N)cc1OC ZINC000000794749 568481019 /nfs/dbraw/zinc/48/10/19/568481019.db2.gz MATZPXQXDZLBIB-UHFFFAOYSA-N 0 0 413.861 4.450 50 30 HIEARN C=CCOc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000012347940 568495939 /nfs/dbraw/zinc/49/59/39/568495939.db2.gz MZSQHWYAKRTQPR-NRFANRHFSA-N 0 0 413.477 4.295 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc(Br)c1OC ZINC000008322748 568497884 /nfs/dbraw/zinc/49/78/84/568497884.db2.gz ABFGVGOHIXOLOP-FNORWQNLSA-N 0 0 407.260 4.467 50 30 HIEARN C=CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000005776455 568505469 /nfs/dbraw/zinc/50/54/69/568505469.db2.gz MYJRAZSUWNIBJX-TZMCWYRMSA-N 0 0 404.605 4.310 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(OC)cc1 ZINC000002849273 568509482 /nfs/dbraw/zinc/50/94/82/568509482.db2.gz BTHPUOFJLFBPKR-UHFFFAOYSA-N 0 0 408.527 4.433 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1CC ZINC000002849275 568509588 /nfs/dbraw/zinc/50/95/88/568509588.db2.gz ROCMXMMAZKTSPW-UHFFFAOYSA-N 0 0 408.527 4.336 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000225512231 568645259 /nfs/dbraw/zinc/64/52/59/568645259.db2.gz LHWPBYYMQDCYJN-GGAORHGYSA-N 0 0 410.466 4.032 50 30 HIEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCCCn4ccnc4)o3)o2)c1 ZINC000020891061 568647708 /nfs/dbraw/zinc/64/77/08/568647708.db2.gz LOKKBVMLPRCORV-UHFFFAOYSA-N 0 0 403.442 4.392 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1ccco1 ZINC000000859155 568711704 /nfs/dbraw/zinc/71/17/04/568711704.db2.gz BWLBGNRSXFSEMA-KRWDZBQOSA-N 0 0 406.467 4.274 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)NCCN1Cc2ccccc2C1=O ZINC000000867253 568713601 /nfs/dbraw/zinc/71/36/01/568713601.db2.gz OHGRSXGPYWJCJW-UHFFFAOYSA-N 0 0 413.502 4.095 50 30 HIEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2o1 ZINC000096279517 568717409 /nfs/dbraw/zinc/71/74/09/568717409.db2.gz ZIQDXCGQQCYVJX-UHFFFAOYSA-N 0 0 421.390 4.042 50 30 HIEARN Cc1ccccc1C(=O)N1CCN(c2oc(-c3ccccc3Cl)nc2C#N)CC1 ZINC000012418317 568718719 /nfs/dbraw/zinc/71/87/19/568718719.db2.gz SANPQUKQIMIRCQ-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nccn1-c1cc(C)ccc1C ZINC000021649418 568728368 /nfs/dbraw/zinc/72/83/68/568728368.db2.gz AZEGXVXDTVXRGO-UHFFFAOYSA-N 0 0 412.540 4.474 50 30 HIEARN C=CCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3C)CC2)=NC1=O ZINC000005784728 568733055 /nfs/dbraw/zinc/73/30/55/568733055.db2.gz QREKHRUICBPWOQ-OQKWZONESA-N 0 0 419.550 4.352 50 30 HIEARN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 ZINC000005799610 568735038 /nfs/dbraw/zinc/73/50/38/568735038.db2.gz PSIPQUUSJXBIPC-QFIPXVFZSA-N 0 0 414.461 4.259 50 30 HIEARN COc1ccc(N2CCN(c3oc([C@@H]4C[C@@H]4c4ccccc4)nc3C#N)CC2)cc1 ZINC000096346443 568737672 /nfs/dbraw/zinc/73/76/72/568737672.db2.gz CMHGXSCJMDQPOY-NHCUHLMSSA-N 0 0 400.482 4.153 50 30 HIEARN COc1ccc(N2CCN(c3oc([C@H]4C[C@@H]4c4ccccc4)nc3C#N)CC2)cc1 ZINC000096346444 568737681 /nfs/dbraw/zinc/73/76/81/568737681.db2.gz CMHGXSCJMDQPOY-RTWAWAEBSA-N 0 0 400.482 4.153 50 30 HIEARN Cc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 ZINC000001009876 568762794 /nfs/dbraw/zinc/76/27/94/568762794.db2.gz BPYADTFERZJERM-FQEVSTJZSA-N 0 0 405.523 4.345 50 30 HIEARN CCOC(=O)N1C/C(=C/c2ccc(OC)cc2)C(=O)/C(=C\c2ccc(OC)cc2)C1 ZINC000096766673 568764588 /nfs/dbraw/zinc/76/45/88/568764588.db2.gz LVBGFKBJTWSYKK-AXPXABNXSA-N 0 0 407.466 4.212 50 30 HIEARN COC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl ZINC000002476888 568774023 /nfs/dbraw/zinc/77/40/23/568774023.db2.gz AGUDZLZUMTUBSB-IFXJQAMLSA-N 0 0 409.869 4.198 50 30 HIEARN Cc1cc(C)cc(N(C)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000055899001 568784415 /nfs/dbraw/zinc/78/44/15/568784415.db2.gz FANILFBMILXPFY-UHFFFAOYSA-N 0 0 404.470 4.303 50 30 HIEARN C=CCn1c(C)cc(C(=O)COc2ncnc3sc(C(=O)OCC)c(C)c32)c1C ZINC000002634026 568791575 /nfs/dbraw/zinc/79/15/75/568791575.db2.gz VAKIVQONJIQFHS-UHFFFAOYSA-N 0 0 413.499 4.042 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(C(F)(F)F)cn1)CCCCC2 ZINC000215705886 568792847 /nfs/dbraw/zinc/79/28/47/568792847.db2.gz GWPWWUURFUMMHG-UHFFFAOYSA-N 0 0 406.433 4.367 50 30 HIEARN CC(C)c1c2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2nc(N)c1C#N ZINC000215709310 568792871 /nfs/dbraw/zinc/79/28/71/568792871.db2.gz RCZSBCIEJAIMPV-UHFFFAOYSA-N 0 0 420.420 4.122 50 30 HIEARN C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccc(Cl)cc1 ZINC000002645231 568794766 /nfs/dbraw/zinc/79/47/66/568794766.db2.gz FSWIZLAPJQOQFD-UHFFFAOYSA-N 0 0 424.913 4.173 50 30 HIEARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000002692914 568801096 /nfs/dbraw/zinc/80/10/96/568801096.db2.gz IHGMMMFUBGLSIT-UHFFFAOYSA-N 0 0 411.508 4.087 50 30 HIEARN CCn1cc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C(N)=O)n1 ZINC000002732491 568805148 /nfs/dbraw/zinc/80/51/48/568805148.db2.gz QFIMQTWRRSYDMG-OPEKNORGSA-N 0 0 405.889 4.409 50 30 HIEARN C=CCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O ZINC000002768627 568807720 /nfs/dbraw/zinc/80/77/20/568807720.db2.gz DBGSKOMEUCCSNO-FQEVSTJZSA-N 0 0 407.539 4.074 50 30 HIEARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002794526 568809419 /nfs/dbraw/zinc/80/94/19/568809419.db2.gz KABRRIKBOYCVIK-UHFFFAOYSA-N 0 0 421.482 4.212 50 30 HIEARN Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccccc1 ZINC000002848454 568812961 /nfs/dbraw/zinc/81/29/61/568812961.db2.gz RQEHNPSQQMKHBA-UHFFFAOYSA-N 0 0 409.540 4.025 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@H]4CC[C@](C)(OC(C)=O)[C@]4(C)CC[C@@H]32)C1 ZINC000257358558 568818205 /nfs/dbraw/zinc/81/82/05/568818205.db2.gz VDMRSWDDYYBJOQ-JRDOGUOFSA-N 0 0 402.531 4.382 50 30 HIEARN C=CCN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)NC1=S ZINC000001199257 568823204 /nfs/dbraw/zinc/82/32/04/568823204.db2.gz SCTAJSLLQREWAF-UKTHLTGXSA-N 0 0 417.830 4.161 50 30 HIEARN COc1ccc2nc(Cl)c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)cc2c1 ZINC000001214229 568832562 /nfs/dbraw/zinc/83/25/62/568832562.db2.gz LKPAPEFBLLXZPB-ZMOGYAJESA-N 0 0 406.873 4.445 50 30 HIEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000005967399 568832865 /nfs/dbraw/zinc/83/28/65/568832865.db2.gz NDYSEYNLANNSGM-MFOYZWKCSA-N 0 0 403.228 4.007 50 30 HIEARN C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000005993547 568834584 /nfs/dbraw/zinc/83/45/84/568834584.db2.gz VVXAGYITRMJHTR-UHFFFAOYSA-N 0 0 407.539 4.211 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2 ZINC000006003391 568834915 /nfs/dbraw/zinc/83/49/15/568834915.db2.gz SEXPIJVLDMLQSS-SJKOYZFVSA-N 0 0 411.527 4.234 50 30 HIEARN C=CCNC(=S)N=NCc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000001969321 568841551 /nfs/dbraw/zinc/84/15/51/568841551.db2.gz LUAKQRQNOUCIKB-CIAFOILYSA-N 0 0 404.333 4.423 50 30 HIEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000003640216 568865398 /nfs/dbraw/zinc/86/53/98/568865398.db2.gz VBSGCXRSQWGMPT-MRXNPFEDSA-N 0 0 411.310 4.373 50 30 HIEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)cc1Cl ZINC000003640212 568865403 /nfs/dbraw/zinc/86/54/03/568865403.db2.gz LDGXOBJNOFGEBQ-INIZCTEOSA-N 0 0 411.310 4.373 50 30 HIEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000003640218 568865458 /nfs/dbraw/zinc/86/54/58/568865458.db2.gz VBSGCXRSQWGMPT-INIZCTEOSA-N 0 0 411.310 4.373 50 30 HIEARN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000003263216 568869455 /nfs/dbraw/zinc/86/94/55/568869455.db2.gz MRYOLKGZLXFXRW-UHFFFAOYSA-N 0 0 424.453 4.164 50 30 HIEARN COc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nccn2C)cc(OC)c1OC ZINC000012619667 568872523 /nfs/dbraw/zinc/87/25/23/568872523.db2.gz GZBWDYGSFWHOPI-WQRHYEAKSA-N 0 0 417.465 4.351 50 30 HIEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ncc(Cl)cc1Cl ZINC000003301746 568876802 /nfs/dbraw/zinc/87/68/02/568876802.db2.gz ILORRZWLHNEWFC-UHFFFAOYSA-N 0 0 421.309 4.015 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(O)cc2)CC(=O)O3)C1=O ZINC000263585491 568878517 /nfs/dbraw/zinc/87/85/17/568878517.db2.gz JGLIHGSIUBTIAW-UMUMUWHJSA-N 0 0 414.413 4.458 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccco3)CC(=O)O4)C2=O)cc1 ZINC000263585623 568878734 /nfs/dbraw/zinc/87/87/34/568878734.db2.gz KUNIPLHOIJFHHR-YLRSXTQRSA-N 0 0 416.385 4.123 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O ZINC000003317958 568879712 /nfs/dbraw/zinc/87/97/12/568879712.db2.gz VASHNTMCCQIDCM-WFASDCNBSA-N 0 0 405.589 4.048 50 30 HIEARN C=CCn1c(COc2ccccc2F)nnc1SCc1cn2c(cccc2C)n1 ZINC000058155882 568893048 /nfs/dbraw/zinc/89/30/48/568893048.db2.gz PCUVOOJVYGUARQ-UHFFFAOYSA-N 0 0 409.490 4.431 50 30 HIEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000003385076 568893168 /nfs/dbraw/zinc/89/31/68/568893168.db2.gz HHHKQIWMVNYZLR-UHFFFAOYSA-N 0 0 415.478 4.189 50 30 HIEARN CC[C@@H](c1nnc(SCc2cccc(C#N)c2)n1-c1ccc(OC)cc1)N(C)C ZINC000025756908 568913897 /nfs/dbraw/zinc/91/38/97/568913897.db2.gz FSJUEVABZCOMDI-FQEVSTJZSA-N 0 0 407.543 4.453 50 30 HIEARN Cc1cc(C)cc(NC(=NC(=O)c2cccc(N(C)C)c2)NCc2ccncc2)c1 ZINC000045939461 568920948 /nfs/dbraw/zinc/92/09/48/568920948.db2.gz LILIQRXRGKVZNO-UHFFFAOYSA-N 0 0 401.514 4.163 50 30 HIEARN CC(C)CC(=O)O/N=C1/c2cc([N+](=O)[O-])ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000004051736 568936580 /nfs/dbraw/zinc/93/65/80/568936580.db2.gz IOYFMRKLUNOGKT-QOCHGBHMSA-N 0 0 415.833 4.088 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1F ZINC000016729320 568937147 /nfs/dbraw/zinc/93/71/47/568937147.db2.gz YLOLWLLJLONXDZ-NRFANRHFSA-N 0 0 418.424 4.008 50 30 HIEARN CN(C)/C=N/c1sc2c(c1C#N)CCN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000004073509 568937949 /nfs/dbraw/zinc/93/79/49/568937949.db2.gz ZOXBHXLEQXUXRT-PGGKNCGUSA-N 0 0 413.856 4.471 50 30 HIEARN C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000012750479 568940341 /nfs/dbraw/zinc/94/03/41/568940341.db2.gz TZYXOXRKPDAJOU-HNNXBMFYSA-N 0 0 424.522 4.450 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C2C(=O)CCCC2=N3)cc1OC ZINC000004279848 568958462 /nfs/dbraw/zinc/95/84/62/568958462.db2.gz QGWJVHMAVZVIOU-QFIPXVFZSA-N 0 0 416.481 4.293 50 30 HIEARN COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2cccc(C)c2)C2C(=O)CCCC2=N3)c1 ZINC000004279850 568958495 /nfs/dbraw/zinc/95/84/95/568958495.db2.gz PPKWZSIAOXQGPA-QFIPXVFZSA-N 0 0 416.481 4.293 50 30 HIEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004998286 568964590 /nfs/dbraw/zinc/96/45/90/568964590.db2.gz REQHZCVWLLKNQK-UHFFFAOYSA-N 0 0 408.502 4.395 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(OC)c1 ZINC000005478303 568965391 /nfs/dbraw/zinc/96/53/91/568965391.db2.gz SFMAEDZKDJMQGG-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 ZINC000008397006 568978514 /nfs/dbraw/zinc/97/85/14/568978514.db2.gz YFYMBFMMDZBBQK-FQEVSTJZSA-N 0 0 423.885 4.080 50 30 HIEARN O=C(N=C(Nc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000015729152 568979640 /nfs/dbraw/zinc/97/96/40/568979640.db2.gz CGCHZCLQFXBPEH-UHFFFAOYSA-N 0 0 416.500 4.252 50 30 HIEARN C=CCn1c(SCCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccncc1 ZINC000010447804 568989162 /nfs/dbraw/zinc/98/91/62/568989162.db2.gz FRFPPIRRCNQKGB-UHFFFAOYSA-N 0 0 409.515 4.046 50 30 HIEARN C=CCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2C1=O ZINC000012816173 568989701 /nfs/dbraw/zinc/98/97/01/568989701.db2.gz CGDMJQAAWWCOTK-UHFFFAOYSA-N 0 0 423.881 4.498 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)CC(C)C ZINC000013689218 569000447 /nfs/dbraw/zinc/00/04/47/569000447.db2.gz ZNZXGXGDLNNQHS-UHFFFAOYSA-N 0 0 404.532 4.117 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccccc1F ZINC000001077829 569006272 /nfs/dbraw/zinc/00/62/72/569006272.db2.gz PJNITOIVFXZCNF-UHFFFAOYSA-N 0 0 412.490 4.400 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccco1 ZINC000002397733 569007197 /nfs/dbraw/zinc/00/71/97/569007197.db2.gz FSBGOMFFLHZTKB-UHFFFAOYSA-N 0 0 419.304 4.217 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1OC ZINC000002445968 569007376 /nfs/dbraw/zinc/00/73/76/569007376.db2.gz VTSSDQJWZJYVRU-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C2\C[C@H]3[C@@H](C[C@H]2OCc2ccccc2)C3(C)C)cc1 ZINC000071786519 569013066 /nfs/dbraw/zinc/01/30/66/569013066.db2.gz SDYZKGPUWBOQGU-TXJCRYKDSA-N 0 0 412.555 4.281 50 30 HIEARN CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C#N)cc2c1 ZINC000006134248 569014183 /nfs/dbraw/zinc/01/41/83/569014183.db2.gz KJLJLCJGMYDFCE-UHFFFAOYSA-N 0 0 422.466 4.453 50 30 HIEARN C=CCNC(=S)N=NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000006170142 569016179 /nfs/dbraw/zinc/01/61/79/569016179.db2.gz GSWVOSBLEPKCQC-FOKLQQMPSA-N 0 0 407.898 4.462 50 30 HIEARN CCN(CC)C(=S)Sc1nsc(SC(=S)N(CC)CC)c1C#N ZINC000001573977 569030580 /nfs/dbraw/zinc/03/05/80/569030580.db2.gz INIMBGNKJIGYPY-UHFFFAOYSA-N 0 0 404.677 4.452 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc2ccccc21 ZINC000006238834 569034346 /nfs/dbraw/zinc/03/43/46/569034346.db2.gz XKCWOWWFSMQCLJ-JOCHJYFZSA-N 0 0 401.462 4.455 50 30 HIEARN Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000006401567 569046773 /nfs/dbraw/zinc/04/67/73/569046773.db2.gz WLNSCHAXEGKWKN-HXUWFJFHSA-N 0 0 402.450 4.078 50 30 HIEARN CC(C)c1ccc([C@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCOCC2)cc1 ZINC000035672736 569048641 /nfs/dbraw/zinc/04/86/41/569048641.db2.gz HWVWLPMPMABMHV-QFIPXVFZSA-N 0 0 417.513 4.217 50 30 HIEARN C=CCn1c(-c2ccccc2)nn(CN(C)Cc2ccc(C(=O)OC)cc2)c1=S ZINC000013017613 569050956 /nfs/dbraw/zinc/05/09/56/569050956.db2.gz ZMHQICDXYVAEDK-UHFFFAOYSA-N 0 0 408.527 4.143 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000001771672 569052398 /nfs/dbraw/zinc/05/23/98/569052398.db2.gz VNFOILPMULUSKF-AQTBWJFISA-N 0 0 410.520 4.106 50 30 HIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1OC ZINC000238997218 569053937 /nfs/dbraw/zinc/05/39/37/569053937.db2.gz ABBIMKFXFFWGJT-UHFFFAOYSA-N 0 0 409.298 4.440 50 30 HIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000239119608 569053973 /nfs/dbraw/zinc/05/39/73/569053973.db2.gz IXDHPBXLAGCMAV-UHFFFAOYSA-N 0 0 409.298 4.440 50 30 HIEARN COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3ccncc3)nn21 ZINC000006508436 569061840 /nfs/dbraw/zinc/06/18/40/569061840.db2.gz NVWFSPMZDITINI-HXUWFJFHSA-N 0 0 401.470 4.007 50 30 HIEARN CCSC1(SCC)NC(=N)[C@]2(C#N)[C@H](c3ccccc3)NC(C)=C(C)[C@]12C#N ZINC000169295739 569065839 /nfs/dbraw/zinc/06/58/39/569065839.db2.gz LAPWMKGSGLMNJI-IHPCNDPISA-N 0 0 411.600 4.176 50 30 aggregator HIEARN Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1nc3ccccc3[nH]1)[C@@H]1CCCCN21 ZINC000006589981 569068212 /nfs/dbraw/zinc/06/82/12/569068212.db2.gz WLMYTEBZMUDKGB-WIOPSUGQSA-N 0 0 408.509 4.434 50 30 HIEARN COc1cccc(OC)c1C(=O)Oc1cc2c(c(C)c1)C(=O)/C(=C/c1cccnc1)O2 ZINC000006662688 569085717 /nfs/dbraw/zinc/08/57/17/569085717.db2.gz KBIXHVURNGIDBM-JAIQZWGSSA-N 0 0 417.417 4.243 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)cc1 ZINC000064797878 569096607 /nfs/dbraw/zinc/09/66/07/569096607.db2.gz FBLJNZHCKDXSCL-SFHVURJKSA-N 0 0 423.515 4.067 50 30 HIEARN CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000006711420 569096690 /nfs/dbraw/zinc/09/66/90/569096690.db2.gz VWJJTJDMWSWOHH-ROMGYVFFSA-N 0 0 414.534 4.487 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cc(Cl)ccc1OC ZINC000006719806 569098033 /nfs/dbraw/zinc/09/80/33/569098033.db2.gz RCQDKOQUOXMUQA-UHFFFAOYSA-N 0 0 413.861 4.236 50 30 HIEARN CCOc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(-c4ccc(OC)cc4)nn32)cc1 ZINC000006732481 569103485 /nfs/dbraw/zinc/10/34/85/569103485.db2.gz APUBIVOISVNDAF-QFIPXVFZSA-N 0 0 416.481 4.374 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccccc2)cc1 ZINC000006784010 569120575 /nfs/dbraw/zinc/12/05/75/569120575.db2.gz MHGUBNIZXBMTRT-GOSISDBHSA-N 0 0 406.463 4.325 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006784130 569121421 /nfs/dbraw/zinc/12/14/21/569121421.db2.gz FHCACVMMYAAVTJ-NRFANRHFSA-N 0 0 403.434 4.457 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000006813378 569136701 /nfs/dbraw/zinc/13/67/01/569136701.db2.gz HWDCQKFSYORCGX-IBGZPJMESA-N 0 0 406.463 4.243 50 30 HIEARN COC(=O)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 ZINC000006819516 569139192 /nfs/dbraw/zinc/13/91/92/569139192.db2.gz XCUAMRSWBNLVNZ-RDJZCZTQSA-N 0 0 409.869 4.131 50 30 HIEARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c3ccccc3n2)o1 ZINC000006886297 569169524 /nfs/dbraw/zinc/16/95/24/569169524.db2.gz RIRJQHSNRPUOCK-UHFFFAOYSA-N 0 0 411.417 4.470 50 30 HIEARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(C#N)c4)csc3n2)cc1OC ZINC000065079520 569171051 /nfs/dbraw/zinc/17/10/51/569171051.db2.gz MKBGLBBDFMTGAQ-UHFFFAOYSA-N 0 0 418.478 4.133 50 30 HIEARN N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000065085499 569173743 /nfs/dbraw/zinc/17/37/43/569173743.db2.gz JOWWSHZJRBHJTI-UHFFFAOYSA-N 0 0 402.884 4.358 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O ZINC000006899494 569175956 /nfs/dbraw/zinc/17/59/56/569175956.db2.gz MMURDXBMNQFPOY-CKEIUWERSA-N 0 0 419.978 4.269 50 30 HIEARN N#Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccc4F)n3)C2)cc1 ZINC000065148531 569184350 /nfs/dbraw/zinc/18/43/50/569184350.db2.gz KRVHPZMACUPVID-SFHVURJKSA-N 0 0 401.445 4.251 50 30 HIEARN N#Cc1ccc(C(=O)NCc2ccc(-c3nc(-c4cccs4)no3)s2)c(F)c1 ZINC000065196013 569194457 /nfs/dbraw/zinc/19/44/57/569194457.db2.gz URCPBVXRTIYZQY-UHFFFAOYSA-N 0 0 410.455 4.467 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1ccc2c(c1)OCO2)[C@@H](c1ccco1)CC(=O)O3 ZINC000524729889 569211886 /nfs/dbraw/zinc/21/18/86/569211886.db2.gz NFEJAYXVQDEZMF-NGMPYOPUSA-N 0 0 402.358 4.066 50 30 HIEARN COc1ccccc1-c1cc2c(SCC(=O)Nc3cccc(C#N)c3)nccn2n1 ZINC000016842076 569263818 /nfs/dbraw/zinc/26/38/18/569263818.db2.gz AECUIJYDUBSBKL-UHFFFAOYSA-N 0 0 415.478 4.007 50 30 HIEARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@H]12 ZINC000017082855 569273071 /nfs/dbraw/zinc/27/30/71/569273071.db2.gz NINLALHNOVUKLL-DDBVPJQNSA-N 0 0 404.469 4.303 50 30 HIEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000002075957 569277699 /nfs/dbraw/zinc/27/76/99/569277699.db2.gz CUVOUHXXDTVHJD-MHWRWJLKSA-N 0 0 404.388 4.073 50 30 HIEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000002130794 569287150 /nfs/dbraw/zinc/28/71/50/569287150.db2.gz RGAFQLCOTKJJQF-MFLNWZAWSA-N 0 0 406.434 4.341 50 30 biogenic HIEARN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000002522437 569288383 /nfs/dbraw/zinc/28/83/83/569288383.db2.gz ISRCBBMOIILRNB-UHFFFAOYSA-N 0 0 408.405 4.474 50 30 HIEARN CSc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(SC)n2)c(N)c1C#N ZINC000002182550 569293429 /nfs/dbraw/zinc/29/34/29/569293429.db2.gz OQBMBBRLUOPLAG-UHFFFAOYSA-N 0 0 418.935 4.314 50 30 HIEARN C=CCn1c(SCC(=O)NCCc2ccc(F)cc2)nnc1-c1cccc(C)c1 ZINC000007653791 569299096 /nfs/dbraw/zinc/29/90/96/569299096.db2.gz STRJQWAYEFRCAG-UHFFFAOYSA-N 0 0 410.518 4.030 50 30 HIEARN CCCOc1ccccc1C=Nn1cnnc1N=NCc1ccccc1OCCC ZINC000252614968 569301311 /nfs/dbraw/zinc/30/13/11/569301311.db2.gz JOGFORAEYZADBP-UHFFFAOYSA-N 0 0 406.490 4.184 50 30 HIEARN CCOc1ccc(N=C2S/C(=C\c3ccc(C(=O)OC)cc3)C(=O)N2CC)cc1 ZINC000252621581 569307646 /nfs/dbraw/zinc/30/76/46/569307646.db2.gz NBZOESCPMYMBRW-NPPZMEKISA-N 0 0 410.495 4.496 50 30 HIEARN C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cc(OC)c1O ZINC000252621831 569307739 /nfs/dbraw/zinc/30/77/39/569307739.db2.gz NHROIDQBWYZFLQ-GVFZAWILSA-N 0 0 424.522 4.380 50 30 HIEARN CCOc1cc(C=NNc2ccccc2)cc(I)c1OCC#N ZINC000252626363 569310630 /nfs/dbraw/zinc/31/06/30/569310630.db2.gz RAYGNEIGWDRTOC-UHFFFAOYSA-N 0 0 421.238 4.038 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cccc(OC)c1 ZINC000252635738 569317126 /nfs/dbraw/zinc/31/71/26/569317126.db2.gz XAFGEZAYJFWQIU-IBGZPJMESA-N 0 0 411.527 4.292 50 30 HIEARN Fc1ccc(Nc2nc(N=NCc3ccccc3F)nc(N3CCCCC3)n2)cc1 ZINC000252636692 569317274 /nfs/dbraw/zinc/31/72/74/569317274.db2.gz XKVIBBWUMYYFQN-UHFFFAOYSA-N 0 0 409.444 4.330 50 30 HIEARN Cc1onc(-c2ccccc2)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2 ZINC000002237185 569318936 /nfs/dbraw/zinc/31/89/36/569318936.db2.gz OETZIRPFQXQKQY-UHFFFAOYSA-N 0 0 408.508 4.199 50 30 HIEARN O=C(Oc1cccc(C=Nc2ccccc2O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000252643334 569318943 /nfs/dbraw/zinc/31/89/43/569318943.db2.gz ZUISKHXQPXOCSW-UHFFFAOYSA-N 0 0 407.338 4.178 50 30 HIEARN CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000007897680 569318965 /nfs/dbraw/zinc/31/89/65/569318965.db2.gz HUJUVRHAZLADNZ-UHFFFAOYSA-N 0 0 414.461 4.381 50 30 HIEARN O=C1[C@@H](c2ccccc2)S/C(=N/S(=O)(=O)c2cccs2)N1c1ccccc1 ZINC000002637936 569320525 /nfs/dbraw/zinc/32/05/25/569320525.db2.gz MAGWHHLITARTQY-NHKNDPDJSA-N 0 0 414.533 4.314 50 30 HIEARN CCN1C(C(=O)c2ccccc2)=C(N(C(C)C)C(C)C)c2ccccc2S1(=O)=O ZINC000002240760 569323596 /nfs/dbraw/zinc/32/35/96/569323596.db2.gz IBYJVQXMIJXZMI-UHFFFAOYSA-N 0 0 412.555 4.381 50 30 HIEARN CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C#N)nc1 ZINC000115645992 569363590 /nfs/dbraw/zinc/36/35/90/569363590.db2.gz PGIVGIFOWOVINL-GOSISDBHSA-N 0 0 400.360 4.106 50 30 in-vitro HIEARN CC(C)[C@](C)(C#N)NC(=O)CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000253427656 569368473 /nfs/dbraw/zinc/36/84/73/569368473.db2.gz GJILALGSHOJRGS-NRFANRHFSA-N 0 0 419.356 4.445 50 30 HIEARN CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000054090220 569369545 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C=CCSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1 ZINC000002358303 569385562 /nfs/dbraw/zinc/38/55/62/569385562.db2.gz PCIHOGCFWSQVLP-UHFFFAOYSA-N 0 0 420.275 4.268 50 30 HIEARN Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccccc1 ZINC000002373508 569389237 /nfs/dbraw/zinc/38/92/37/569389237.db2.gz SDOUYFFHCPTJRI-CVKSISIWSA-N 0 0 412.497 4.111 50 30 HIEARN Cc1ccccc1/C=N/n1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 ZINC000002387972 569392381 /nfs/dbraw/zinc/39/23/81/569392381.db2.gz HGWATCHBQPNBSV-MZJWZYIUSA-N 0 0 414.513 4.133 50 30 HIEARN CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc21 ZINC000002438418 569399994 /nfs/dbraw/zinc/39/99/94/569399994.db2.gz VABUXLZNIQBMOA-CVKSISIWSA-N 0 0 418.501 4.342 50 30 HIEARN Cc1c(C#N)c(NC(=O)CSc2nc3ccccc3[nH]2)[nH]c1Cc1ccccc1 ZINC000012372032 569400570 /nfs/dbraw/zinc/40/05/70/569400570.db2.gz XYCHWOHMZIIDOO-UHFFFAOYSA-N 0 0 401.495 4.393 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc2sc(C)c(C)c2c1=O ZINC000013140859 569409834 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Cn1c2ccc(Br)cc2c2nnc(N=NCc3c[nH]c4ccccc34)nc21 ZINC000008926182 571160347 /nfs/dbraw/zinc/16/03/47/571160347.db2.gz UPQPTWORTBJHMT-YVNNLAQVSA-N 0 0 420.274 4.206 50 30 HIEARN COc1cccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)c1 ZINC000008991761 571207210 /nfs/dbraw/zinc/20/72/10/571207210.db2.gz GYVBKXAQNYMGFJ-JJFYIABZSA-N 0 0 400.434 4.059 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc2c(c1)OCO2 ZINC000009290065 571245442 /nfs/dbraw/zinc/24/54/42/571245442.db2.gz JLFZKEMBUMHSFM-UHFFFAOYSA-N 0 0 422.510 4.207 50 30 HIEARN COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1OC ZINC000009304765 571246527 /nfs/dbraw/zinc/24/65/27/571246527.db2.gz IINYKVSXCLTUMI-UHFFFAOYSA-N 0 0 403.482 4.223 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2c1cccc(O)c1 ZINC000009332782 571248769 /nfs/dbraw/zinc/24/87/69/571248769.db2.gz JAIRQOSLYKKREF-HXUWFJFHSA-N 0 0 402.454 4.289 50 30 HIEARN COCc1cc(C)nc(N=NCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1C#N ZINC000009367636 571252343 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COc1cc(/C=C\C(=O)Nc2ccc(C)cc2Br)ccc1OCC#N ZINC000006683840 845218130 /nfs/dbraw/zinc/21/81/30/845218130.db2.gz QKTQXNZAJIHBTN-YVMONPNESA-N 0 0 401.260 4.320 50 30 HIEARN CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1OC ZINC000012632323 845881096 /nfs/dbraw/zinc/88/10/96/845881096.db2.gz UWGOUPYWZJXSQI-NTUHNPAUSA-N 0 0 422.525 4.097 50 30 HIEARN O=[N+]([O-])c1ccc(N=NC2c3ccccc3-c3nc4ccccc4nc32)c([N+](=O)[O-])c1 ZINC000013306893 845913881 /nfs/dbraw/zinc/91/38/81/845913881.db2.gz YZYBXUHFVNENFE-QQTULTPQSA-N 0 0 412.365 4.291 50 30 HIEARN COc1ccccc1/C=C\C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000033470048 848134113 /nfs/dbraw/zinc/13/41/13/848134113.db2.gz HNGNBJYKIJFJLR-QXMHVHEDSA-N 0 0 410.495 4.092 50 30 HIEARN N#Cc1ccc(CSc2nnc(NC(=O)/C=C\c3ccc4c(c3)OCO4)s2)cc1 ZINC000033828516 848139659 /nfs/dbraw/zinc/13/96/59/848139659.db2.gz LGVUOKBZPKMLBW-VURMDHGXSA-N 0 0 422.491 4.083 50 30 HIEARN Cc1ccc(-c2cnc(CON=C(N)c3cccc(OCc4cccnc4)c3)o2)cc1 ZINC000079065225 852540056 /nfs/dbraw/zinc/54/00/56/852540056.db2.gz LTKXSUCWDZFLIG-UHFFFAOYSA-N 0 0 414.465 4.461 50 30 HIEARN COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(I)cc1 ZINC000096551529 852550684 /nfs/dbraw/zinc/55/06/84/852550684.db2.gz WKUMQJHLVWDNDJ-TWGQIWQCSA-N 0 0 424.234 4.213 50 30 HIEARN Cc1nn2c(nccc2C(F)(F)F)c1/C=C\C(=O)c1cccc(N2CCCC2=O)c1 ZINC000096993407 852570294 /nfs/dbraw/zinc/57/02/94/852570294.db2.gz CTLVYQXHEODFEZ-FPLPWBNLSA-N 0 0 414.387 4.079 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2csc(-c3ccccn3)n2)C1=O ZINC000097152266 852586639 /nfs/dbraw/zinc/58/66/39/852586639.db2.gz OHAQYNRXRHDHQO-SFQUDFHCSA-N 0 0 419.462 4.032 50 30 HIEARN CCOC(=O)COc1ccc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)cc1 ZINC000098006945 852651099 /nfs/dbraw/zinc/65/10/99/852651099.db2.gz VCSCECRLLVWQGK-WDZFZDKYSA-N 0 0 421.371 4.025 50 30 HIEARN Cn1c(C(C#N)=C(NS(=O)(=O)c2ccccc2)c2ccccc2)nc2ccccc21 ZINC000103885197 852668124 /nfs/dbraw/zinc/66/81/24/852668124.db2.gz WLMYIFJNAZFHOH-JEOADQEBSA-N 0 0 414.490 4.059 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000104622623 852673856 /nfs/dbraw/zinc/67/38/56/852673856.db2.gz VTNSWHYSCHZPID-CQZHGDOHSA-N 0 0 406.438 4.032 50 30 HIEARN COc1cc(C=NC2=NN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC ZINC000254405808 854211317 /nfs/dbraw/zinc/21/13/17/854211317.db2.gz KHNAWZMNPUBGHI-UHFFFAOYSA-N 0 0 407.392 4.374 50 30 HIEARN CCCn1nc(C(=O)N2CCCSC2=Nc2ccccc2)c2ccccc2c1=O ZINC000254521630 854211830 /nfs/dbraw/zinc/21/18/30/854211830.db2.gz KSCDZHBIHLKHKY-UHFFFAOYSA-N 0 0 406.511 4.073 50 30 HIEARN NS(=O)(=O)c1ccc(N=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000254523644 854212489 /nfs/dbraw/zinc/21/24/89/854212489.db2.gz NHIFMIULPKKIPL-UHFFFAOYSA-N 0 0 405.273 4.107 50 30 HIEARN Cc1cccc(N=C2S[C@H](C)CN2C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c1 ZINC000254531932 854212510 /nfs/dbraw/zinc/21/25/10/854212510.db2.gz CPYAAWBVUNFUHU-CQSZACIVSA-N 0 0 408.527 4.168 50 30 HIEARN C=CCN1c2ccccc2C(=NN=Cc2c(C)nn(-c3ccc(F)cc3)c2Cl)C1=O ZINC000254617906 854213411 /nfs/dbraw/zinc/21/34/11/854213411.db2.gz XQZZSIBCBVIMIL-UHFFFAOYSA-N 0 0 421.863 4.329 50 30 HIEARN COc1ccc(C=NOCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1OCc1ccccc1 ZINC000254766001 854214099 /nfs/dbraw/zinc/21/40/99/854214099.db2.gz OSIAUXOIMZDKIN-KDURUIRLSA-N 0 0 410.514 4.414 50 30 HIEARN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NN1C(=O)c2ccccc2C1=O ZINC000254764084 854214353 /nfs/dbraw/zinc/21/43/53/854214353.db2.gz QWEPGLCREMHJFQ-UHFFFAOYSA-N 0 0 413.264 4.177 50 30 HIEARN Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000254823431 854214822 /nfs/dbraw/zinc/21/48/22/854214822.db2.gz RZPQPFOMXGKBQZ-UHFFFAOYSA-N 0 0 415.457 4.145 50 30 HIEARN COc1ccc(C(=O)N=C2N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 ZINC000254826741 854214856 /nfs/dbraw/zinc/21/48/56/854214856.db2.gz YRYXNDJQKVMVRV-UHFFFAOYSA-N 0 0 422.282 4.302 50 30 HIEARN COc1ccc(N2CCN(c3ccc(NC(=O)c4cccs4)cc3C#N)CC2)cc1 ZINC000002944719 132260365 /nfs/dbraw/zinc/26/03/65/132260365.db2.gz PNCZAQXVUDZDPY-UHFFFAOYSA-N 0 0 418.522 4.207 50 30 HIEARN N#Cc1c2nc3ccccc3n2c(N2CCN(c3ccccn3)CC2)cc1C(F)(F)F ZINC000009360612 132339049 /nfs/dbraw/zinc/33/90/49/132339049.db2.gz UPXGCDAVBBLAKG-UHFFFAOYSA-N 0 0 422.414 4.100 50 30 HIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cc(OC)ccc2OC)cc1 ZINC000040286493 518328280 /nfs/dbraw/zinc/32/82/80/518328280.db2.gz KVXQPNJAXPABBF-SFHVURJKSA-N 0 0 403.438 4.025 50 30 HIEARN C=C(C)CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000020729495 518607885 /nfs/dbraw/zinc/60/78/85/518607885.db2.gz CDFMHSFNYMVJAG-DEOSSOPVSA-N 0 0 419.525 4.066 50 30 HIEARN C=CCN(C(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1)c1ccccc1 ZINC000006834028 518730893 /nfs/dbraw/zinc/73/08/93/518730893.db2.gz BCASWUVXHQPIGP-UHFFFAOYSA-N 0 0 418.497 4.181 50 30 HIEARN C=CCN(C(=O)c1cccs1)[C@H](C)C(=O)c1c(C)c(C(=O)OCC)n(CC)c1C ZINC000036005000 518740594 /nfs/dbraw/zinc/74/05/94/518740594.db2.gz MEHJOYYWFWHHGH-MRXNPFEDSA-N 0 0 416.543 4.263 50 30 HIEARN C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)cc1)C(=O)C(C)C ZINC000036045008 518759057 /nfs/dbraw/zinc/75/90/57/518759057.db2.gz AOGVINQVYOSNEE-UHFFFAOYSA-N 0 0 416.525 4.457 50 30 HIEARN C=CCN(CC=C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000023339846 518770403 /nfs/dbraw/zinc/77/04/03/518770403.db2.gz FFPLEMFDPKHFCH-UHFFFAOYSA-N 0 0 420.944 4.360 50 30 HIEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl ZINC000032975562 518812063 /nfs/dbraw/zinc/81/20/63/518812063.db2.gz URCIINLYZGRESW-UHFFFAOYSA-N 0 0 422.909 4.096 50 30 HIEARN C=CCOc1ccc(CN(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000029973643 519032133 /nfs/dbraw/zinc/03/21/33/519032133.db2.gz KNMAUUAKBJWSBQ-UHFFFAOYSA-N 0 0 416.525 4.385 50 30 HIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 ZINC000100951137 519081382 /nfs/dbraw/zinc/08/13/82/519081382.db2.gz RHVVAXSNZDSJFK-QGZVFWFLSA-N 0 0 411.527 4.176 50 30 HIEARN C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCc2ccccc21 ZINC000044085687 519149772 /nfs/dbraw/zinc/14/97/72/519149772.db2.gz CRNXPSLRWLZQOH-UHFFFAOYSA-N 0 0 405.523 4.426 50 30 HIEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCC[S@](=O)c1ccccc1 ZINC000032933409 519154356 /nfs/dbraw/zinc/15/43/56/519154356.db2.gz VIGDPYSHKWBJLE-HHHXNRCGSA-N 0 0 416.593 4.421 50 30 HIEARN C=CCn1c(=S)n(CN(C2CC2)C2CCCC2)nc1[C@@H]1COc2ccccc2O1 ZINC000032923191 519165975 /nfs/dbraw/zinc/16/59/75/519165975.db2.gz UUFQCDSVFTVNTQ-FQEVSTJZSA-N 0 0 412.559 4.477 50 30 HIEARN C=CCn1c(S[C@H](C)c2nc(CCC)no2)nnc1[C@H]1COc2ccccc2O1 ZINC000012979058 519259218 /nfs/dbraw/zinc/25/92/18/519259218.db2.gz ZGBQEXBAFIRURG-CZUORRHYSA-N 0 0 413.503 4.165 50 30 HIEARN CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2ccccc2Cl)c2ccccc21 ZINC000001889264 519354122 /nfs/dbraw/zinc/35/41/22/519354122.db2.gz GVNUGOOIBGFQAN-HNENSFHCSA-N 0 0 424.884 4.172 50 30 HIEARN CC(C)c1cccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCc2ccncc2)c1 ZINC000035481076 519841523 /nfs/dbraw/zinc/84/15/23/519841523.db2.gz LABFEIVHWJEGHW-UHFFFAOYSA-N 0 0 416.481 4.332 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OC)cc1OC ZINC000101284995 520060468 /nfs/dbraw/zinc/06/04/68/520060468.db2.gz GEYTWIAGCMODLD-FQEVSTJZSA-N 0 0 414.506 4.098 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002055204 520229077 /nfs/dbraw/zinc/22/90/77/520229077.db2.gz KFSWIPOLTPWBCN-OAQYLSRUSA-N 0 0 411.498 4.175 50 30 HIEARN CCCCCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CCCC1=N2 ZINC000020091565 520273920 /nfs/dbraw/zinc/27/39/20/520273920.db2.gz LGHNMZNBWASIGR-GOSISDBHSA-N 0 0 413.503 4.491 50 30 HIEARN CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@H](C)C/C2=N\OC ZINC000033570959 520904346 /nfs/dbraw/zinc/90/43/46/520904346.db2.gz CXZJGLZFAKAXPG-NZZMRGDMSA-N 0 0 424.419 4.414 50 30 HIEARN CCN(CC)c1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032682599 520928363 /nfs/dbraw/zinc/92/83/63/520928363.db2.gz DAGVDJLGFSRTQO-SFHVURJKSA-N 0 0 414.918 4.168 50 30 HIEARN CCN=C(Nc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000027530936 521510299 /nfs/dbraw/zinc/51/02/99/521510299.db2.gz CJBULKDJBWMULE-QGZVFWFLSA-N 0 0 417.918 4.011 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccc(C)cc2)Nc2ccccc2OC)c(C)n1 ZINC000032972970 521650864 /nfs/dbraw/zinc/65/08/64/521650864.db2.gz LYHRAVKYIZIZEE-UHFFFAOYSA-N 0 0 419.529 4.317 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1cccc(F)c1)NCc1c(C)nn(C)c1C ZINC000032972591 521849825 /nfs/dbraw/zinc/84/98/25/521849825.db2.gz YBJZMHCVDVWBHN-UHFFFAOYSA-N 0 0 407.493 4.137 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1ccc(OC)cc1)NCc1c(C)nn(C)c1C ZINC000032972740 521850948 /nfs/dbraw/zinc/85/09/48/521850948.db2.gz XAAXHUDTBNVTRD-UHFFFAOYSA-N 0 0 419.529 4.006 50 30 HIEARN COc1c2c(cc3c1C=C(C(=O)c1ccc(Cl)cc1Cl)N(C)CC3)OCO2 ZINC000040310243 521886824 /nfs/dbraw/zinc/88/68/24/521886824.db2.gz NSYXKYNYGSRKRO-UHFFFAOYSA-N 0 0 406.265 4.442 50 30 HIEARN COc1cc(C=C(C(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc2)cc(OC)c1OC ZINC000027528485 521922282 /nfs/dbraw/zinc/92/22/82/521922282.db2.gz MSTZCYYVPUVERE-XDHOZWIPSA-N 0 0 419.477 4.441 50 30 HIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)c1 ZINC000040051030 522192168 /nfs/dbraw/zinc/19/21/68/522192168.db2.gz ZCODXDLASQRJEN-UHFFFAOYSA-N 0 0 414.417 4.342 50 30 HIEARN COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@H](c2ccc(C(C)C)cc2)N2N=NNC2=N1 ZINC000001417474 522863420 /nfs/dbraw/zinc/86/34/20/522863420.db2.gz GBCJJUWXIKOSJR-FQEVSTJZSA-N 0 0 417.469 4.027 50 30 HIEARN COC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc3c(c2)OCO3)C1=O ZINC000036257435 522894934 /nfs/dbraw/zinc/89/49/34/522894934.db2.gz JMRZLHSKNDKHLY-CXUHLZMHSA-N 0 0 415.854 4.222 50 30 HIEARN COc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000019851188 522916470 /nfs/dbraw/zinc/91/64/70/522916470.db2.gz GUGXAIGSBZNJAW-JOCHJYFZSA-N 0 0 422.456 4.147 50 30 HIEARN COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)C ZINC000020568845 522953364 /nfs/dbraw/zinc/95/33/64/522953364.db2.gz LRVZFGFURDUUSP-QFIPXVFZSA-N 0 0 413.514 4.402 50 30 HIEARN COc1ccc(-c2nc(CN3CCC[C@@]4(CCCCO4)[C@H]3C#N)cs2)c(OC)c1 ZINC000253432374 523203860 /nfs/dbraw/zinc/20/38/60/523203860.db2.gz JXMQBHYXSDOPBW-IRLDBZIGSA-N 0 0 413.543 4.255 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(F)cc2)Nc2ccccc2)c1C ZINC000032973129 523634760 /nfs/dbraw/zinc/63/47/60/523634760.db2.gz NPPZPZGKDQWRIZ-UHFFFAOYSA-N 0 0 407.493 4.100 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(F)cc2)Nc2ccc(C)cc2)c1C ZINC000032973259 523635666 /nfs/dbraw/zinc/63/56/66/523635666.db2.gz HPILNDBMCIZZQZ-UHFFFAOYSA-N 0 0 421.520 4.408 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(F)cc2)c1C ZINC000032971913 523638849 /nfs/dbraw/zinc/63/88/49/523638849.db2.gz AACCFLVTHYJXQX-UHFFFAOYSA-N 0 0 407.493 4.365 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006786343 523796459 /nfs/dbraw/zinc/79/64/59/523796459.db2.gz STQBMBIEDYWLLZ-KRWDZBQOSA-N 0 0 406.265 4.218 50 30 HIEARN COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000025761997 524169243 /nfs/dbraw/zinc/16/92/43/524169243.db2.gz UMPCUGOHQJRWNT-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000020973810 524200885 /nfs/dbraw/zinc/20/08/85/524200885.db2.gz PWBUNDWRRIFMQK-ZDUSSCGKSA-N 0 0 410.465 4.446 50 30 HIEARN COc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1c(C)nn(C)c1C ZINC000032972402 524530689 /nfs/dbraw/zinc/53/06/89/524530689.db2.gz OEVHSYJVSMRUES-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000040286806 525430908 /nfs/dbraw/zinc/43/09/08/525430908.db2.gz TZBITADCRBXVEH-VBKZILBWSA-N 0 0 406.417 4.197 50 30 HIEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)cc2)C3)cc1O ZINC000021349480 525438808 /nfs/dbraw/zinc/43/88/08/525438808.db2.gz HJEDXGJZBIWUBJ-NYHFZMIOSA-N 0 0 418.449 4.361 50 30 HIEARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 ZINC000009498757 525508497 /nfs/dbraw/zinc/50/84/97/525508497.db2.gz BZTXGTURPHIUPO-RUZDIDTESA-N 0 0 413.477 4.176 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(COc3cccc(Cl)c3)o2)cc1 ZINC000017083064 525514837 /nfs/dbraw/zinc/51/48/37/525514837.db2.gz MXLFMMUJPDWDLQ-CIAFOILYSA-N 0 0 404.875 4.133 50 30 HIEARN Cc1ccc(/N=C(/[C@@H](c2ccccc2)N2CCOCC2)n2nnc3ccccc32)cc1 ZINC000035616542 525966238 /nfs/dbraw/zinc/96/62/38/525966238.db2.gz OBUUYWWUWWEPIX-ZBPGLEGESA-N 0 0 411.509 4.392 50 30 HIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C ZINC000032827390 526276279 /nfs/dbraw/zinc/27/62/79/526276279.db2.gz NHQMATHFVZANCX-QGZVFWFLSA-N 0 0 418.545 4.026 50 30 HIEARN N#CCN(C(=O)COc1ccc(Br)cc1Br)c1ccccc1 ZINC000023418188 526469165 /nfs/dbraw/zinc/46/91/65/526469165.db2.gz IIBZQPLUBRLKKN-UHFFFAOYSA-N 0 0 424.092 4.147 50 30 HIEARN O=C1c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2O/C1=C\c1ccc(F)cc1 ZINC000009419632 527124686 /nfs/dbraw/zinc/12/46/86/527124686.db2.gz HOWVPSLOMVGJHU-JAIQZWGSSA-N 0 0 414.385 4.349 50 30 HIEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1CCc1ccccc1F ZINC000013655449 527135748 /nfs/dbraw/zinc/13/57/48/527135748.db2.gz UAYYSDFBVLIACQ-UHFFFAOYSA-N 0 0 413.905 4.357 50 30 HIEARN O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000001060107 527139174 /nfs/dbraw/zinc/13/91/74/527139174.db2.gz SVIRSPJEQHMQSZ-LQDNNDEMSA-N 0 0 413.860 4.090 50 30 HIEARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024507665 527208281 /nfs/dbraw/zinc/20/82/81/527208281.db2.gz RZCHPEWXKAJWDI-UHFFFAOYSA-N 0 0 423.818 4.231 50 30 HIEARN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)c1ccc(-c2ccccc2)cc1 ZINC000035392697 527369550 /nfs/dbraw/zinc/36/95/50/527369550.db2.gz GTFKBEIWJALABS-UHFFFAOYSA-N 0 0 419.506 4.077 50 30 HIEARN O=C(/C=C\c1ccccc1OCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000044013707 527658773 /nfs/dbraw/zinc/65/87/73/527658773.db2.gz NGHSFKWUENCAFG-XFXZXTDPSA-N 0 0 400.478 4.393 50 30 HIEARN COCc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)c(=O)c1C#N ZINC000008391686 536704849 /nfs/dbraw/zinc/70/48/49/536704849.db2.gz FFZGJEMGWHAAQX-UHFFFAOYSA-N 0 0 417.490 4.004 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl ZINC000000625999 557022510 /nfs/dbraw/zinc/02/25/10/557022510.db2.gz VWNQWGYOXPKGQV-MRXNPFEDSA-N 0 0 410.297 4.484 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)o1 ZINC000000815800 557090288 /nfs/dbraw/zinc/09/02/88/557090288.db2.gz HUNZAGODPWZEQB-QMHKHESXSA-N 0 0 407.466 4.131 50 30 HIEARN CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000000979661 557129890 /nfs/dbraw/zinc/12/98/90/557129890.db2.gz OHWSHAUEAHRSCS-LFVJCYFKSA-N 0 0 424.522 4.285 50 30 HIEARN CCOC(=O)c1ccc(N2CCOCC2)c(/N=C/c2c(O)ccc3ccccc32)c1 ZINC000001037233 557151046 /nfs/dbraw/zinc/15/10/46/557151046.db2.gz HEQRXXLBNJZCRT-PCLIKHOPSA-N 0 0 404.466 4.309 50 30 HIEARN COc1ccc(Br)c(C(=O)ONC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000001048675 557158114 /nfs/dbraw/zinc/15/81/14/557158114.db2.gz XNZQJMTVRKJOTK-UHFFFAOYSA-N 0 0 419.058 4.266 50 30 HIEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)cc1 ZINC000001061636 557164395 /nfs/dbraw/zinc/16/43/95/557164395.db2.gz FZLNYNMHBUPOHZ-UHFFFAOYSA-N 0 0 405.479 4.114 50 30 HIEARN CC(=O)Oc1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1[N+](=O)[O-] ZINC000001136470 557201462 /nfs/dbraw/zinc/20/14/62/557201462.db2.gz MARHMCJJUDKOGA-DHDCSXOGSA-N 0 0 414.464 4.424 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001201721 557239755 /nfs/dbraw/zinc/23/97/55/557239755.db2.gz ZFTRXPQENLFWAQ-JTSKRJEESA-N 0 0 418.449 4.129 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F ZINC000001204432 557240397 /nfs/dbraw/zinc/24/03/97/557240397.db2.gz XCMJYVYIWWZJRQ-QMHKHESXSA-N 0 0 421.468 4.369 50 30 HIEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000001445522 557265916 /nfs/dbraw/zinc/26/59/16/557265916.db2.gz VWMBEBZZYJEAFW-HXUWFJFHSA-N 0 0 424.447 4.309 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002055464 557302695 /nfs/dbraw/zinc/30/26/95/557302695.db2.gz FMLMEWSKSKOPBH-JOCHJYFZSA-N 0 0 411.498 4.313 50 30 HIEARN O=S(=O)(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000002513459 557353779 /nfs/dbraw/zinc/35/37/79/557353779.db2.gz WSVVRPMILYLOJL-HYARGMPZSA-N 0 0 400.887 4.231 50 30 HIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 ZINC000002758342 557380701 /nfs/dbraw/zinc/38/07/01/557380701.db2.gz XOVXDEWEQNHSEI-HXUWFJFHSA-N 0 0 415.555 4.293 50 30 HIEARN CCOc1cc(/C=C2\N=C(SC)SC2=O)cc(Br)c1OC(C)=O ZINC000002874346 557416204 /nfs/dbraw/zinc/41/62/04/557416204.db2.gz YQVFCRHFWXLTNN-WDZFZDKYSA-N 0 0 416.318 4.106 50 30 HIEARN N=C(CSc1ncccc1C(F)(F)F)NOC(=O)Nc1cccc(Cl)c1 ZINC000004365342 557547274 /nfs/dbraw/zinc/54/72/74/557547274.db2.gz AJPOLUMZHIWDAD-UHFFFAOYSA-N 0 0 404.801 4.367 50 30 HIEARN Cc1cc(Oc2ccc(C(=N)NOC(=O)C3CC3)cc2[N+](=O)[O-])cc(C)c1Cl ZINC000004394448 557551456 /nfs/dbraw/zinc/55/14/56/557551456.db2.gz CYJCVKAHENLNLV-UHFFFAOYSA-N 0 0 403.822 4.231 50 30 HIEARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436370 557555326 /nfs/dbraw/zinc/55/53/26/557555326.db2.gz BVDPEJPCKBSKAZ-SFHVURJKSA-N 0 0 414.531 4.065 50 30 HIEARN Clc1ccc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)c(Cl)c1 ZINC000004599231 557570950 /nfs/dbraw/zinc/57/09/50/557570950.db2.gz ORNQFNXYKGHUSS-LPYMAVHISA-N 0 0 405.333 4.430 50 30 HIEARN COc1ccc(Br)c(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1 ZINC000004660163 557577376 /nfs/dbraw/zinc/57/73/76/557577376.db2.gz QMVLHHPEENWPED-DHDCSXOGSA-N 0 0 407.264 4.488 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004728224 557587724 /nfs/dbraw/zinc/58/77/24/557587724.db2.gz ZMPGILGSMDMTDK-VGSWGCGISA-N 0 0 418.449 4.129 50 30 HIEARN CC(=O)N(c1ccc(Cl)c(Cl)c1)C1=C(N(C)C)C(=O)c2ccccc2C1=O ZINC000004819909 557602272 /nfs/dbraw/zinc/60/22/72/557602272.db2.gz XALOVXRCQVXGRS-UHFFFAOYSA-N 0 0 403.265 4.199 50 30 HIEARN O=C1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004914004 557613251 /nfs/dbraw/zinc/61/32/51/557613251.db2.gz MUDYKRAOWOUZJA-VXGBXAGGSA-N 0 0 402.859 4.314 50 30 HIEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004915178 557613637 /nfs/dbraw/zinc/61/36/37/557613637.db2.gz AXPPOSDLYTYXHI-IEBWSBKVSA-N 0 0 421.493 4.107 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000004915280 557613760 /nfs/dbraw/zinc/61/37/60/557613760.db2.gz KQVCLBRCIISNSG-RDJZCZTQSA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)c1 ZINC000004916221 557613962 /nfs/dbraw/zinc/61/39/62/557613962.db2.gz VOZGZHMISJGVJP-KBXCAEBGSA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1OC ZINC000004986674 557620887 /nfs/dbraw/zinc/62/08/87/557620887.db2.gz HPTSMVFAKQBASR-WBVHZDCISA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c(OC)c1 ZINC000004986712 557620994 /nfs/dbraw/zinc/62/09/94/557620994.db2.gz CCJKGTDWFVFPGB-GUYCJALGSA-N 0 0 411.885 4.362 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000005045102 557629298 /nfs/dbraw/zinc/62/92/98/557629298.db2.gz SKJJTXFWXAQTKV-HNNXBMFYSA-N 0 0 412.294 4.280 50 30 HIEARN CCN1C(=O)/C(=C\C(=O)c2ccc(Br)s2)c2cc([N+](=O)[O-])ccc21 ZINC000005059896 557632336 /nfs/dbraw/zinc/63/23/36/557632336.db2.gz GKKOQJRJYCMPNW-FLIBITNWSA-N 0 0 407.245 4.052 50 30 HIEARN CC/C(=N\OC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)c1c(C)cc(C)cc1C ZINC000005112195 557637008 /nfs/dbraw/zinc/63/70/08/557637008.db2.gz VBBBBOOVJDSUEY-JJIBRWJFSA-N 0 0 413.470 4.443 50 30 HIEARN Cn1c2ccccc2c2nnc(N=NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000005337968 557645572 /nfs/dbraw/zinc/64/55/72/557645572.db2.gz ASRAPFPMWQTWTF-WSDLNYQXSA-N 0 0 413.397 4.131 50 30 HIEARN CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005727979 557671338 /nfs/dbraw/zinc/67/13/38/557671338.db2.gz VGJRRHQWCQXACQ-OAQYLSRUSA-N 0 0 405.473 4.463 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccncc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2 ZINC000006188319 557693451 /nfs/dbraw/zinc/69/34/51/557693451.db2.gz UJUAAOTZEIVVOF-GOSISDBHSA-N 0 0 416.506 4.022 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000006564497 557708180 /nfs/dbraw/zinc/70/81/80/557708180.db2.gz RJZBPGYCHGBPCB-IBGZPJMESA-N 0 0 415.873 4.433 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000006720040 557717103 /nfs/dbraw/zinc/71/71/03/557717103.db2.gz BRPYMQXBKFKNIF-UYAOXDASSA-N 0 0 411.885 4.406 50 30 HIEARN Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c1 ZINC000003022324 557781796 /nfs/dbraw/zinc/78/17/96/557781796.db2.gz CNTDJYWDVJEVPQ-HZPDHXFCSA-N 0 0 404.507 4.437 50 30 HIEARN CC(=O)c1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc(C)nc1-c1ccccc1 ZINC000008442374 557789553 /nfs/dbraw/zinc/78/95/53/557789553.db2.gz LTYFSCVKDAMLII-UHFFFAOYSA-N 0 0 423.288 4.426 50 30 HIEARN COc1ccc(OC)c(NC(=NC(=O)Nc2ccccc2)Nc2nc(C)cc(C)n2)c1 ZINC000008969275 557816837 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422.754 4.263 50 30 HIEARN COc1ccc(OC)c(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019835394 558292809 /nfs/dbraw/zinc/29/28/09/558292809.db2.gz HIMSQKIUNQPUNZ-NHFJDJAPSA-N 0 0 415.537 4.445 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@@H]1c1cccs1 ZINC000019848956 558295102 /nfs/dbraw/zinc/29/51/02/558295102.db2.gz DYYRAFZHYKLLMU-OYHNWAKOSA-N 0 0 409.507 4.291 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000013122838 558517609 /nfs/dbraw/zinc/51/76/09/558517609.db2.gz ZTFHFGLHUAYVJD-FQEVSTJZSA-N 0 0 400.390 4.378 50 30 HIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3cccc(OC)c3)[C@H](C(C)=O)[C@@](C)(O)C2)cc1 ZINC000013424169 558532380 /nfs/dbraw/zinc/53/23/80/558532380.db2.gz UQUFJDYZUMDJJW-SDHOMARFSA-N 0 0 423.509 4.103 50 30 HIEARN COC(=O)c1ccc(CON=C(N)c2c(C)onc2-c2c(Cl)cccc2Cl)o1 ZINC000013468985 558533744 /nfs/dbraw/zinc/53/37/44/558533744.db2.gz JBLGEAVYBWKIBJ-UHFFFAOYSA-N 0 0 424.240 4.174 50 30 HIEARN Cc1ccc(S(=O)(=O)N=C(Nc2cccc(C)c2C)Nc2nc(C)cc(C)n2)cc1 ZINC000013517482 558536361 /nfs/dbraw/zinc/53/63/61/558536361.db2.gz YRGYWUYFTRCMJY-UHFFFAOYSA-N 0 0 423.542 4.288 50 30 HIEARN O=C1CS/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N1Cc1cccc2ccccc21 ZINC000013563643 558540765 /nfs/dbraw/zinc/54/07/65/558540765.db2.gz TUXUKMFRAIEAAC-FNUFSRGGSA-N 0 0 404.451 4.214 50 30 HIEARN COc1ccc(-c2cnnc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 ZINC000013572308 558542388 /nfs/dbraw/zinc/54/23/88/558542388.db2.gz NXTACUHNJBVHTQ-WSDLNYQXSA-N 0 0 416.397 4.161 50 30 HIEARN COc1ccc(-c2nc(NC(=O)CCc3c(C)nn(CCC#N)c3C)sc2C)cc1 ZINC000024050703 558586848 /nfs/dbraw/zinc/58/68/48/558586848.db2.gz LMIQSPILLDERJS-UHFFFAOYSA-N 0 0 423.542 4.425 50 30 HIEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3Br)NC2=O)c1OC ZINC000013769419 558591485 /nfs/dbraw/zinc/59/14/85/558591485.db2.gz BRGIBQFJOMOARE-GDNBJRDFSA-N 0 0 419.300 4.358 50 30 HIEARN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCc2ccccc2)C1 ZINC000013786016 558593277 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406.354 4.168 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000004562085 558732414 /nfs/dbraw/zinc/73/24/14/558732414.db2.gz LBKDMGRHMLNRKV-BUVRLJJBSA-N 0 0 403.507 4.310 50 30 HIEARN CCCOc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1OCCC ZINC000015726865 558750732 /nfs/dbraw/zinc/75/07/32/558750732.db2.gz FIDUZQRDUSVWBD-UHFFFAOYSA-N 0 0 411.502 4.012 50 30 HIEARN O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1)[C@H]1CCCO1 ZINC000016400411 558789879 /nfs/dbraw/zinc/78/98/79/558789879.db2.gz QOWPKOSJJXLZSU-GFCCVEGCSA-N 0 0 419.293 4.024 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OCC)cc1 ZINC000016737279 558802965 /nfs/dbraw/zinc/80/29/65/558802965.db2.gz JCJJQRCXQWDMSX-NRFANRHFSA-N 0 0 407.466 4.248 50 30 HIEARN COc1ccc(NC(=NS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000016916241 558809223 /nfs/dbraw/zinc/80/92/23/558809223.db2.gz RMYVBLFQZVBUMS-UHFFFAOYSA-N 0 0 407.706 4.265 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC ZINC000016973287 558811023 /nfs/dbraw/zinc/81/10/23/558811023.db2.gz IAGYUVIKKIJPNR-WAIKUNEKSA-N 0 0 416.481 4.019 50 30 HIEARN COc1ccc(C=NNc2nc3c(c(=O)[nH]2)C2(CCCC2)Cc2ccccc2-3)cc1 ZINC000017045769 558813000 /nfs/dbraw/zinc/81/30/00/558813000.db2.gz BSQGQYLWCJDVAE-MFKUBSTISA-N 0 0 400.482 4.259 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccccc1 ZINC000017058682 558813539 /nfs/dbraw/zinc/81/35/39/558813539.db2.gz YTQIGFYRUCIMOM-JOCHJYFZSA-N 0 0 423.509 4.255 50 30 HIEARN C=CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000003604177 558824717 /nfs/dbraw/zinc/82/47/17/558824717.db2.gz CJQINMCUWDYPKW-UHFFFAOYSA-N 0 0 412.946 4.236 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3cccc(O)c3)C12 ZINC000017177826 558824985 /nfs/dbraw/zinc/82/49/85/558824985.db2.gz MOACSBRGNFKMDM-FQEVSTJZSA-N 0 0 422.485 4.437 50 30 HIEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C(=O)C(C)(C)C ZINC000004591470 558829376 /nfs/dbraw/zinc/82/93/76/558829376.db2.gz SFIYGKDXDJOYMX-UHFFFAOYSA-N 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COc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c(OC)c1 ZINC000013721337 558859023 /nfs/dbraw/zinc/85/90/23/558859023.db2.gz MVCVBYLWINNBGL-YVNNLAQVSA-N 0 0 419.433 4.265 50 30 HIEARN COc1cccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccncc2)C4=O)c1 ZINC000013732895 558861157 /nfs/dbraw/zinc/86/11/57/558861157.db2.gz ODVHAYZLOJDKNR-UUYOSTAYSA-N 0 0 400.434 4.059 50 30 HIEARN CNC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccc(Br)cc3)cc2)O1 ZINC000071769385 558911150 /nfs/dbraw/zinc/91/11/50/558911150.db2.gz PFOCNVBPIJSPTF-QUCCMNQESA-N 0 0 416.271 4.169 50 30 HIEARN CC(=O)Oc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019536014 558913772 /nfs/dbraw/zinc/91/37/72/558913772.db2.gz NPEWSQPFRJQIEC-OAQYLSRUSA-N 0 0 411.498 4.168 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000019637715 558947547 /nfs/dbraw/zinc/94/75/47/558947547.db2.gz NRIABMVCNRKFDJ-FDDCHVKYSA-N 0 0 403.478 4.230 50 30 HIEARN O=C1c2ccc([O-])c(C[NH2+]C[C@@H]3CCCN4CCCC[C@H]34)c2O/C1=C/c1cccs1 ZINC000097963069 558993441 /nfs/dbraw/zinc/99/34/41/558993441.db2.gz RNLNHZCNSMLHLC-KSWTUVBBSA-N 0 0 424.566 4.424 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1 ZINC000097105064 558993823 /nfs/dbraw/zinc/99/38/23/558993823.db2.gz IMRLHTULDNGDLI-OFNKIYASSA-N 0 0 410.466 4.032 50 30 HIEARN COCCN=C1Nc2ccccc2N[C@]12CCCN(C(=O)Nc1ccc(C)cc1C)C2 ZINC000097112522 558994852 /nfs/dbraw/zinc/99/48/52/558994852.db2.gz FNBSMDJZULSCLL-DEOSSOPVSA-N 0 0 421.545 4.252 50 30 HIEARN CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccccc2C(F)(F)F)nc1C ZINC000023077834 558998103 /nfs/dbraw/zinc/99/81/03/558998103.db2.gz JMOGYGAFWAEULZ-UHFFFAOYSA-N 0 0 423.416 4.188 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccc(F)cc1 ZINC000004736246 559035564 /nfs/dbraw/zinc/03/55/64/559035564.db2.gz CTTGLTGBBOUSRW-UHFFFAOYSA-N 0 0 404.417 4.279 50 30 HIEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc2c(cc1Br)OCO2 ZINC000004743086 559044802 /nfs/dbraw/zinc/04/48/02/559044802.db2.gz SZLPDRQFVFOBJX-VIZOYTHASA-N 0 0 403.257 4.069 50 30 HIEARN CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2c[nH]c3ccccc23)C(=S)SC1(C)C ZINC000004785407 559063524 /nfs/dbraw/zinc/06/35/24/559063524.db2.gz JOYLDONICZKALT-BFTVFPACSA-N 0 0 419.576 4.141 50 30 HIEARN CCOC(=O)C1=C(C)NC(SCc2ccccc2C#N)=N[C@H]1c1ccccc1OC ZINC000098086308 559064772 /nfs/dbraw/zinc/06/47/72/559064772.db2.gz RWWWOVJNVDEFSY-NRFANRHFSA-N 0 0 421.522 4.338 50 30 HIEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@@H](C(C)(C)C)C3 ZINC000004812083 559069324 /nfs/dbraw/zinc/06/93/24/559069324.db2.gz WVZBAMUVPGMXKT-GFCCVEGCSA-N 0 0 402.589 4.462 50 30 HIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)c1 ZINC000096325042 559110116 /nfs/dbraw/zinc/11/01/16/559110116.db2.gz WKCZQXNJVIOFOY-JOCHJYFZSA-N 0 0 415.493 4.169 50 30 HIEARN CC1(C)CC(=O)C(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100006903 559128544 /nfs/dbraw/zinc/12/85/44/559128544.db2.gz BOKLYDRAFNRXJR-IBGZPJMESA-N 0 0 413.470 4.454 50 30 HIEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 ZINC000101055996 559142959 /nfs/dbraw/zinc/14/29/59/559142959.db2.gz XNCRWJAOXAQXMC-JOCHJYFZSA-N 0 0 402.450 4.022 50 30 HIEARN C=CCn1c(SCc2cc(-c3ccc(OC)cc3)no2)nnc1-c1ccncc1 ZINC000014076298 559149277 /nfs/dbraw/zinc/14/92/77/559149277.db2.gz RPLKUFYZPMFOKB-UHFFFAOYSA-N 0 0 405.483 4.482 50 30 HIEARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(CC#N)cc4)c(=O)c23)s1 ZINC000014095936 559150695 /nfs/dbraw/zinc/15/06/95/559150695.db2.gz VPCIOUDMAZTVFI-UHFFFAOYSA-N 0 0 420.519 4.200 50 30 HIEARN CCCCCOc1ccc(/C=N/n2cnc3c4cc(OC)ccc4[nH]c3c2=O)cc1 ZINC000004824237 559152724 /nfs/dbraw/zinc/15/27/24/559152724.db2.gz FXDWETJDIBIKMZ-AFUMVMLFSA-N 0 0 404.470 4.338 50 30 HIEARN COc1ccc(NC(=O)[C@@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000106884745 559164066 /nfs/dbraw/zinc/16/40/66/559164066.db2.gz XRDHHYNFGQIUOO-SECBINFHSA-N 0 0 402.188 4.203 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000004919065 559204666 /nfs/dbraw/zinc/20/46/66/559204666.db2.gz JJOXAJBQAZGCHL-CVDCTZTESA-N 0 0 410.466 4.032 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC ZINC000004993255 559225379 /nfs/dbraw/zinc/22/53/79/559225379.db2.gz FBTLTDQTERBAEW-HSZRJFAPSA-N 0 0 418.493 4.310 50 30 HIEARN N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000005000356 559226412 /nfs/dbraw/zinc/22/64/12/559226412.db2.gz WENALGIDKHJCPX-UHFFFAOYSA-N 0 0 408.845 4.141 50 30 HIEARN O=C1CCCC2=C1[C@H](c1ccccc1)c1c3nc(-c4cccs4)nn3cnc1O2 ZINC000005346216 560570242 /nfs/dbraw/zinc/57/02/42/560570242.db2.gz UDSHRECAOTXNDH-KRWDZBQOSA-N 0 0 400.463 4.384 50 30 HIEARN N#CC1(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)CCCC1 ZINC000005361555 560571837 /nfs/dbraw/zinc/57/18/37/560571837.db2.gz DNAHMJPECSHIQV-UHFFFAOYSA-N 0 0 404.539 4.324 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003550797 560596466 /nfs/dbraw/zinc/59/64/66/560596466.db2.gz DWPIRVVBEVXGHN-KBPBESRZSA-N 0 0 419.616 4.022 50 30 HIEARN C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S ZINC000005526661 560605041 /nfs/dbraw/zinc/60/50/41/560605041.db2.gz RNAAUQBRLNBYRQ-QGOAFFKASA-N 0 0 411.504 4.302 50 30 HIEARN Cc1cc(OCC(=O)N(CCC#N)c2ccccc2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000005546823 560607650 /nfs/dbraw/zinc/60/76/50/560607650.db2.gz GLFBOGQWGPGBRX-UHFFFAOYSA-N 0 0 416.477 4.306 50 30 HIEARN CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(OC(F)F)cc3)cc2F)CC1 ZINC000007586391 560635663 /nfs/dbraw/zinc/63/56/63/560635663.db2.gz MVEDSPXLSARDHH-BJMVGYQFSA-N 0 0 404.432 4.465 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccncc1 ZINC000008756036 560638410 /nfs/dbraw/zinc/63/84/10/560638410.db2.gz LZHFRJJKSVLISB-UHFFFAOYSA-N 0 0 421.345 4.325 50 30 HIEARN COc1ccc(-c2csc(C3=C(N)N([C@H](C)c4ccccc4)CC3=O)n2)cc1OC ZINC000017995018 560733588 /nfs/dbraw/zinc/73/35/88/560733588.db2.gz NLROULHTRQKJCN-CQSZACIVSA-N 0 0 421.522 4.101 50 30 HIEARN O=C1c2ccccc2C2=C1[C@@H](c1cc(Br)ccc1O)C1=C(CCCC1=O)N2 ZINC000101060243 560768742 /nfs/dbraw/zinc/76/87/42/560768742.db2.gz FFSINVCSXAJAMD-SFHVURJKSA-N 0 0 422.278 4.456 50 30 HIEARN CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccn4)nn3[C@@H]2c2cccnc2)C1 ZINC000018199790 560782945 /nfs/dbraw/zinc/78/29/45/560782945.db2.gz VOYRSNKORNKJEZ-LJQANCHMSA-N 0 0 418.526 4.019 50 30 HIEARN C=CCS[C@]1(Br)NC(c2ccc(OC)cc2)=C[C@@H](c2ccco2)N1 ZINC000101320922 560791763 /nfs/dbraw/zinc/79/17/63/560791763.db2.gz PDHUDWLPRZRZEY-FUHWJXTLSA-N 0 0 407.333 4.489 50 30 HIEARN O=c1c(C=[NH+]Cc2cccnc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000101636743 560797470 /nfs/dbraw/zinc/79/74/70/560797470.db2.gz OJKXXEATAGCYEZ-AUEPDCJTSA-N 0 0 403.389 4.221 50 30 HIEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000101790359 560801342 /nfs/dbraw/zinc/80/13/42/560801342.db2.gz ZGJPZSCLCQVATJ-DJYGDJEFSA-N 0 0 407.853 4.340 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102501836 560812645 /nfs/dbraw/zinc/81/26/45/560812645.db2.gz PSYISPPNXRBXBB-MOBKVPTQSA-N 0 0 423.509 4.277 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C ZINC000102506811 560812841 /nfs/dbraw/zinc/81/28/41/560812841.db2.gz WXHJVDIPDKNOJO-NHFXJNLRSA-N 0 0 420.490 4.082 50 30 HIEARN CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102530949 560813405 /nfs/dbraw/zinc/81/34/05/560813405.db2.gz MZOXUEMUOCZKCJ-MRJHHRETSA-N 0 0 418.449 4.085 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000102535074 560813659 /nfs/dbraw/zinc/81/36/59/560813659.db2.gz WZJCYOPLDMKYIL-YDJIHCHBSA-N 0 0 404.853 4.357 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102535731 560813700 /nfs/dbraw/zinc/81/37/00/560813700.db2.gz AXXKTTZSGHFJKN-NHFXJNLRSA-N 0 0 406.413 4.311 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102540581 560814335 /nfs/dbraw/zinc/81/43/35/560814335.db2.gz WZUIFGAIBOUFMP-UYTDBDHRSA-N 0 0 410.253 4.045 50 30 HIEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102726496 560821872 /nfs/dbraw/zinc/82/18/72/560821872.db2.gz BMXAZPNOKNGTHO-JBCNATCCSA-N 0 0 418.449 4.398 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 ZINC000102805008 560826937 /nfs/dbraw/zinc/82/69/37/560826937.db2.gz WTLLHFZYLIIGMO-MOBKVPTQSA-N 0 0 414.461 4.102 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102798399 560828081 /nfs/dbraw/zinc/82/80/81/560828081.db2.gz YTDIRSGMZJSZAA-LFVOPCPISA-N 0 0 420.490 4.477 50 30 HIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000102862861 560832322 /nfs/dbraw/zinc/83/23/22/560832322.db2.gz QYFPSMJSAYCXJE-JBCNATCCSA-N 0 0 403.409 4.461 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1Cl ZINC000102879507 560833678 /nfs/dbraw/zinc/83/36/78/560833678.db2.gz SVVYSENEWXKLCE-GFNKQVDRSA-N 0 0 403.887 4.002 50 30 HIEARN O=C(N/C(=N/c1cccc(Br)c1)NCc1ccncc1)c1ccccc1 ZINC000045940013 568421715 /nfs/dbraw/zinc/42/17/15/568421715.db2.gz XZUOLPHCLIYMES-UHFFFAOYSA-N 0 0 409.287 4.051 50 30 HIEARN O=C(N/C(=N/c1ccc(F)c(Cl)c1)NCc1ccncc1)c1cccc(F)c1 ZINC000045939934 568421719 /nfs/dbraw/zinc/42/17/19/568421719.db2.gz ZMGYTRZLHIVFHZ-UHFFFAOYSA-N 0 0 400.816 4.221 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(CC)cc1)NCc1ccccn1 ZINC000046125264 568428466 /nfs/dbraw/zinc/42/84/66/568428466.db2.gz PHYYWYCKNVFHES-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN CC(=O)Nc1cc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2C)ccc1C ZINC000046125352 568428472 /nfs/dbraw/zinc/42/84/72/568428472.db2.gz CEEOTFIKKIKGPZ-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN CC(=O)Nc1cc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C)c2)ccc1C ZINC000046125866 568428533 /nfs/dbraw/zinc/42/85/33/568428533.db2.gz PRTHYUMCEMGITL-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN CC(=O)Nc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C)c2C)c1 ZINC000046126288 568428642 /nfs/dbraw/zinc/42/86/42/568428642.db2.gz AYZKNMPONGZPJC-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN COc1cc(NC(=NC(=O)c2ccc(Cl)cc2)NCc2ccccn2)cc(OC)c1 ZINC000046126612 568428713 /nfs/dbraw/zinc/42/87/13/568428713.db2.gz RMIDEVHFMAWQLS-UHFFFAOYSA-N 0 0 424.888 4.150 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046128968 568429131 /nfs/dbraw/zinc/42/91/31/568429131.db2.gz TVMCPZWOQGXLAW-IBGZPJMESA-N 0 0 401.894 4.116 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(Cl)ccc2C)cc1 ZINC000046129222 568429133 /nfs/dbraw/zinc/42/91/33/568429133.db2.gz HDALVRNXQIYRIW-LJQANCHMSA-N 0 0 415.921 4.424 50 30 HIEARN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)c(Cl)c2)cc1 ZINC000046129388 568429150 /nfs/dbraw/zinc/42/91/50/568429150.db2.gz CYBWEAZEVPNVAL-LJQANCHMSA-N 0 0 415.921 4.424 50 30 HIEARN Cc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NC[C@H]2CCCO2)cc1 ZINC000046130293 568429310 /nfs/dbraw/zinc/42/93/10/568429310.db2.gz KAEFCCREAICYIC-GOSISDBHSA-N 0 0 405.420 4.391 50 30 HIEARN CC(C)c1ccc(NC(=NC(=O)c2cccc(N(C)C)c2)NC[C@@H]2CCCO2)cc1 ZINC000046130595 568429312 /nfs/dbraw/zinc/42/93/12/568429312.db2.gz MELYDEPZLSIVCE-QFIPXVFZSA-N 0 0 408.546 4.253 50 30 HIEARN N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)o1 ZINC000048301316 568437574 /nfs/dbraw/zinc/43/75/74/568437574.db2.gz SYCYTXDUUVVCOC-QFIPXVFZSA-N 0 0 406.413 4.083 50 30 HIEARN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000048326224 568438991 /nfs/dbraw/zinc/43/89/91/568438991.db2.gz OOMKAHBLLRWNQK-IBGZPJMESA-N 0 0 407.539 4.014 50 30 HIEARN COCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc1 ZINC000048332345 568440044 /nfs/dbraw/zinc/44/00/44/568440044.db2.gz RPAZPWOQXJNJBW-VMPITWQZSA-N 0 0 423.368 4.126 50 30 HIEARN COc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1OCc1ccccc1 ZINC000012347098 568494772 /nfs/dbraw/zinc/49/47/72/568494772.db2.gz LVXQFWIGKUUWOF-HXUWFJFHSA-N 0 0 417.465 4.267 50 30 HIEARN CCOc1ccc2ccccc2c1[C@H]1C(C(=O)OC)=C(N)OC2=C1C(=O)CC(C)(C)C2 ZINC000000818763 568496699 /nfs/dbraw/zinc/49/66/99/568496699.db2.gz GXEFTIWMTQOLDJ-OAQYLSRUSA-N 0 0 421.493 4.339 50 30 HIEARN O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1C#Cc1ccccc1 ZINC000002898605 568509209 /nfs/dbraw/zinc/50/92/09/568509209.db2.gz IJRKEUFQFJQZQE-UHFFFAOYSA-N 0 0 401.378 4.084 50 30 HIEARN CC(=O)N(c1cccc(F)c1)C1=C(N2CCC(C)CC2)C(=O)c2ccccc2C1=O ZINC000020060354 568586933 /nfs/dbraw/zinc/58/69/33/568586933.db2.gz UELVKRWEECXOAN-UHFFFAOYSA-N 0 0 406.457 4.201 50 30 HIEARN COC(=O)c1ccccc1NC(=O)[C@H](C#N)c1nc(-c2cc(F)ccc2F)cs1 ZINC000095455157 568616655 /nfs/dbraw/zinc/61/66/55/568616655.db2.gz CMEGGMGYPCHBPU-AWEZNQCLSA-N 0 0 413.405 4.121 50 30 HIEARN N#Cc1ccccc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166847 568674915 /nfs/dbraw/zinc/67/49/15/568674915.db2.gz MKVBMSZJMZEOBY-UHFFFAOYSA-N 0 0 414.895 4.480 50 30 HIEARN O=C(O/N=C1\CCCc2c1sc1nc3n(c(=O)c21)CCCCC3)c1ccccc1 ZINC000000846132 568710649 /nfs/dbraw/zinc/71/06/49/568710649.db2.gz CXIYBFADLSLZGN-LFVJCYFKSA-N 0 0 407.495 4.082 50 30 HIEARN COc1cc(OC)cc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1 ZINC000012408551 568712368 /nfs/dbraw/zinc/71/23/68/568712368.db2.gz WYJVGZPFKSOWPD-NSPYISDASA-N 0 0 424.482 4.128 50 30 HIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(=O)C32)c(OC)c1 ZINC000012408571 568712453 /nfs/dbraw/zinc/71/24/53/568712453.db2.gz RKHJBAJUNGIJNO-LHSJRXKWSA-N 0 0 418.453 4.066 50 30 HIEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000853310 568712607 /nfs/dbraw/zinc/71/26/07/568712607.db2.gz RKOXSZHJAQNBAY-HYARGMPZSA-N 0 0 420.450 4.135 50 30 HIEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(C)c2)c1 ZINC000005794649 568733933 /nfs/dbraw/zinc/73/39/33/568733933.db2.gz FUNQRNSPCYXPBE-BWAHOGKJSA-N 0 0 421.522 4.258 50 30 HIEARN Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C[C@H]1CCCO1 ZINC000000887438 568739624 /nfs/dbraw/zinc/73/96/24/568739624.db2.gz NANDUHLNTPDWFG-GFCCVEGCSA-N 0 0 401.319 4.453 50 30 HIEARN Cc1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n2c3ccccc3nc2c1C#N ZINC000025251918 568760528 /nfs/dbraw/zinc/76/05/28/568760528.db2.gz 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CCc1ccc(CN2CCc3c(C(=O)N4CCC[C@](C)(C#N)C4)csc3C2)nc1 ZINC000426477736 569073181 /nfs/dbraw/zinc/07/31/81/569073181.db2.gz MONWSTWQRZVERR-HSZRJFAPSA-N 0 0 408.571 4.030 50 30 HIEARN COc1ccc(C(=O)Oc2cc3c(c(C)c2)C(=O)/C(=C/c2cccnc2)O3)cc1OC ZINC000006672274 569087200 /nfs/dbraw/zinc/08/72/00/569087200.db2.gz YMRDTLBKHSWJQG-FBHDLOMBSA-N 0 0 417.417 4.243 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000006813580 569136885 /nfs/dbraw/zinc/13/68/85/569136885.db2.gz TVJUWSBWUAFMJB-MJGOQNOKSA-N 0 0 415.848 4.236 50 30 HIEARN N#Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000169753409 569160579 /nfs/dbraw/zinc/16/05/79/569160579.db2.gz QJTKOCCWUWMVTC-LJQANCHMSA-N 0 0 405.889 4.001 50 30 HIEARN CCCN([C@@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(C#N)c1 ZINC000036391190 569166272 /nfs/dbraw/zinc/16/62/72/569166272.db2.gz CSTPQBPLKDJKIW-AWEZNQCLSA-N 0 0 407.333 4.483 50 30 HIEARN Cc1c(-c2cc(C(F)(F)F)nc(Nc3sc4c(c3C#N)CCC4)n2)cnn1C ZINC000036613995 569209410 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403.478 4.433 50 30 HIEARN CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)NCC)cc1 ZINC000002521716 569288358 /nfs/dbraw/zinc/28/83/58/569288358.db2.gz KTBBJPAMGARJIM-BUVRLJJBSA-N 0 0 407.543 4.146 50 30 HIEARN Cc1nc2sc3c(c2c(=O)n1N=Cc1ccccc1Br)CCCC3 ZINC000252598726 569296388 /nfs/dbraw/zinc/29/63/88/569296388.db2.gz DCRXKQHZDBFXDM-UHFFFAOYSA-N 0 0 402.317 4.290 50 30 HIEARN COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000252599411 569296797 /nfs/dbraw/zinc/29/67/97/569296797.db2.gz DIOFCYLOKOJMDU-UHFFFAOYSA-N 0 0 403.490 4.060 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1cccc(C(C)=O)c1 ZINC000252617318 569301586 /nfs/dbraw/zinc/30/15/86/569301586.db2.gz KQIILKGENGBZTL-HXUWFJFHSA-N 0 0 423.538 4.486 50 30 HIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007790776 569310678 /nfs/dbraw/zinc/31/06/78/569310678.db2.gz RUCKBIJKEPQJLE-JLCFBVMHSA-N 0 0 422.558 4.296 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1C ZINC000001010096 569321932 /nfs/dbraw/zinc/32/19/32/569321932.db2.gz QVCGRBDMSATYLE-LAUBAEHRSA-N 0 0 403.478 4.243 50 30 HIEARN CC(C)CNC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002254300 569326235 /nfs/dbraw/zinc/32/62/35/569326235.db2.gz PAEYRRRGOMWBOR-RPPGKUMJSA-N 0 0 420.904 4.088 50 30 HIEARN N#CC(C(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000048553586 569358999 /nfs/dbraw/zinc/35/89/99/569358999.db2.gz HDIWWRRRNVKQGP-HNNXBMFYSA-N 0 0 408.439 4.190 50 30 HIEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)cc1O ZINC000253397967 569365320 /nfs/dbraw/zinc/36/53/20/569365320.db2.gz BUFDGVMRFVDYAU-QREGZJMFSA-N 0 0 414.413 4.458 50 30 HIEARN COc1ccc(-c2nc(CN3CCC[C@@]4(CCCCO4)[C@@H]3C#N)cs2)c(OC)c1 ZINC000253432377 569369932 /nfs/dbraw/zinc/36/99/32/569369932.db2.gz JXMQBHYXSDOPBW-UNMCSNQZSA-N 0 0 413.543 4.255 50 30 HIEARN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCCSCc1ccccc1C#N ZINC000253432172 569369991 /nfs/dbraw/zinc/36/99/91/569369991.db2.gz 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CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cccc(Br)c1 ZINC000012659613 569402600 /nfs/dbraw/zinc/40/26/00/569402600.db2.gz ACEGAIMFIGLHTG-UNOMPAQXSA-N 0 0 414.299 4.487 50 30 HIEARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)Nc1sccc1C#N ZINC000012975926 569405642 /nfs/dbraw/zinc/40/56/42/569405642.db2.gz WYSIFKIDDHKWAQ-UHFFFAOYSA-N 0 0 416.524 4.123 50 30 HIEARN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cccn3)c(F)c2)C(C)(C)C1 ZINC000328589532 569414711 /nfs/dbraw/zinc/41/47/11/569414711.db2.gz HHDUHFGNXRCXCM-GOSISDBHSA-N 0 0 416.497 4.352 50 30 HIEARN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000328596692 569416103 /nfs/dbraw/zinc/41/61/03/569416103.db2.gz QIVAVXBYPDPGSX-DOMZBBRYSA-N 0 0 414.259 4.050 50 30 HIEARN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NN=c2nc[nH]c3sc4c(c32)CCCC4)C1 ZINC000328596103 569416032 /nfs/dbraw/zinc/41/60/32/569416032.db2.gz SGDWCFDMFAFPPH-ZDUSSCGKSA-N 0 0 415.563 4.138 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=S)Nc2cc(C)ccc2C)c1 ZINC000008687857 571101899 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30 HIEARN C[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000009210642 571236816 /nfs/dbraw/zinc/23/68/16/571236816.db2.gz MDQNTWSPJZSOSR-FOIQADDNSA-N 0 0 424.501 4.044 50 30 HIEARN CC(=O)Nc1ccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)cc1 ZINC000009423348 571257524 /nfs/dbraw/zinc/25/75/24/571257524.db2.gz NARIXELSACCNFO-UHFFFAOYSA-N 0 0 424.913 4.139 50 30 HIEARN Cc1ccc2c(C)nc(NC(=NC(=O)c3ccccc3)NC(=O)c3ccccc3)nc2c1 ZINC000009479937 571262003 /nfs/dbraw/zinc/26/20/03/571262003.db2.gz VKUCBRZKXSPKAR-UHFFFAOYSA-N 0 0 423.476 4.285 50 30 HIEARN CC(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O ZINC000009486076 571262399 /nfs/dbraw/zinc/26/23/99/571262399.db2.gz ZYLHUMFTJJBCNE-WSVATBPTSA-N 0 0 400.814 4.384 50 30 HIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@@H]2c2cccn2C)c1C#N ZINC000009549162 571267982 /nfs/dbraw/zinc/26/79/82/571267982.db2.gz RQFQGKXLZFYSGI-HSZRJFAPSA-N 0 0 415.541 4.139 50 30 HIEARN CN(CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Br)s1 ZINC000009593573 571272024 /nfs/dbraw/zinc/27/20/24/571272024.db2.gz URNLGWBHYFOTDK-UHFFFAOYSA-N 0 0 424.389 4.393 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCC2 ZINC000009664299 571277921 /nfs/dbraw/zinc/27/79/21/571277921.db2.gz WJQZSOAUVDCVOY-UHFFFAOYSA-N 0 0 419.868 4.434 50 30 HIEARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2Cl)C(C(=O)Nc2cc(C)on2)=C1C ZINC000010354343 571301268 /nfs/dbraw/zinc/30/12/68/571301268.db2.gz QBGPPUGRACVTSF-QGZVFWFLSA-N 0 0 421.284 4.455 50 30 HIEARN Cc1c(C(=O)N2CCC(COCc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000077099683 571311115 /nfs/dbraw/zinc/31/11/15/571311115.db2.gz RMOSGWNNFTUWOY-UHFFFAOYSA-N 0 0 414.509 4.121 50 30 HIEARN COC(=O)CCC(=O)C1=C(Nc2ccc(Br)cc2)CC(C)(C)CC1=O ZINC000001115791 845002047 /nfs/dbraw/zinc/00/20/47/845002047.db2.gz GEVJFAFWVSDLER-UHFFFAOYSA-N 0 0 408.292 4.027 50 30 HIEARN C=CC[C@@H]1CC=C[C@@H](C)N1Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 ZINC000011663617 845823510 /nfs/dbraw/zinc/82/35/10/845823510.db2.gz AXPPFRVVKFZUEV-TZIWHRDSSA-N 0 0 413.587 4.015 50 30 HIEARN COc1cc(C=Nn2cnn(Cc3ccccc3Cl)c2=S)cc(OC)c1OC ZINC000012728841 845886855 /nfs/dbraw/zinc/88/68/55/845886855.db2.gz VPSIVQGONUBSKV-UHFFFAOYSA-N 0 0 418.906 4.024 50 30 HIEARN CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000013056635 845904279 /nfs/dbraw/zinc/90/42/79/845904279.db2.gz BVHABBGPRKKOCY-RUDMXATFSA-N 0 0 401.890 4.480 50 30 HIEARN C=CCc1c(C)nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)[nH]c1=O ZINC000018254374 846316638 /nfs/dbraw/zinc/31/66/38/846316638.db2.gz UVRHTGFBFVBPLD-UHFFFAOYSA-N 0 0 407.495 4.330 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000033547338 848137023 /nfs/dbraw/zinc/13/70/23/848137023.db2.gz OQYZJTYTHQYJHB-BAQGIRSFSA-N 0 0 406.772 4.008 50 30 HIEARN CCOC(=O)C(=Cc1ccc(C#N)cc1)C1=CSc2nnc(C3CCCCC3)n2N1 ZINC000089978005 852546211 /nfs/dbraw/zinc/54/62/11/852546211.db2.gz QBOIYNWVZKBOAE-LDADJPATSA-N 0 0 421.526 4.154 50 30 HIEARN CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc(Br)c1OC ZINC000096766790 852554956 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COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CON=Cc2ccccc2)cc1 ZINC000254486625 854211752 /nfs/dbraw/zinc/21/17/52/854211752.db2.gz IXZVLCDYGOFXFS-DEOSSOPVSA-N 0 0 413.477 4.424 50 30 HIEARN CCCOc1ccc(C=Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(O)c1 ZINC000254869978 854216142 /nfs/dbraw/zinc/21/61/42/854216142.db2.gz ORZDCYJTBFVCPY-UHFFFAOYSA-N 0 0 422.934 4.370 50 30 HIEARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2cccc(C#N)c2)cc1 ZINC000006742758 132314422 /nfs/dbraw/zinc/31/44/22/132314422.db2.gz OINSQNUOORYWJC-RUZDIDTESA-N 0 0 414.461 4.263 50 30 HIEARN CCc1ccc(N2C(=O)N(Cc3ccccc3C#N)c3ccccc3S2(=O)=O)cc1 ZINC000009664090 132342178 /nfs/dbraw/zinc/34/21/78/132342178.db2.gz OXVQZBCRZOUOHB-UHFFFAOYSA-N 0 0 417.490 4.456 50 30 HIEARN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O ZINC000001164785 518264990 /nfs/dbraw/zinc/26/49/90/518264990.db2.gz HZYBZAUOIJIVKE-VCHYOVAHSA-N 0 0 400.887 4.426 50 30 HIEARN C#CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c1 ZINC000021726152 518333724 /nfs/dbraw/zinc/33/37/24/518333724.db2.gz GXEUVZDJRJUACX-KRWDZBQOSA-N 0 0 414.490 4.277 50 30 HIEARN C#C[C@](C)(CC)NC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000001421914 518356900 /nfs/dbraw/zinc/35/69/00/518356900.db2.gz VXOCTEILHCVIAM-OAQYLSRUSA-N 0 0 412.415 4.045 50 30 HIEARN C=C(C)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020737863 518605447 /nfs/dbraw/zinc/60/54/47/518605447.db2.gz QSHLEVDBZLCPOY-XMMPIXPASA-N 0 0 419.525 4.066 50 30 HIEARN C=CCN(C(=O)CCc1cc(OC)c(OC)c(OC)c1)c1nc2c(s1)CCCC2 ZINC000006788452 518730355 /nfs/dbraw/zinc/73/03/55/518730355.db2.gz BUULIYXTFJKTRW-UHFFFAOYSA-N 0 0 416.543 4.200 50 30 HIEARN C=CCN(C(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)c1)c1ccccc1 ZINC000103225627 518738831 /nfs/dbraw/zinc/73/88/31/518738831.db2.gz OWIRVDYTDOCNAH-WTOYTKOKSA-N 0 0 400.478 4.221 50 30 HIEARN C=CCN(C(=O)c1nc(N2CCCCC2)ncc1Cl)c1nc2c(s1)CCCC2 ZINC000040140819 518740079 /nfs/dbraw/zinc/74/00/79/518740079.db2.gz PCCVGQRGLNMLQO-UHFFFAOYSA-N 0 0 417.966 4.288 50 30 HIEARN C=CCN1C(=O)/C(=C\c2ccc3cc(OC)ccc3n2)S/C1=N/c1nccs1 ZINC000101227713 518834173 /nfs/dbraw/zinc/83/41/73/518834173.db2.gz IAVQZPFTSDUAEZ-RZPAUPBHSA-N 0 0 408.508 4.490 50 30 HIEARN C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC ZINC000037543250 518934529 /nfs/dbraw/zinc/93/45/29/518934529.db2.gz OREMCGWEEAQGTQ-UHFFFAOYSA-N 0 0 405.317 4.438 50 30 HIEARN C=CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OCC ZINC000015008748 519004461 /nfs/dbraw/zinc/00/44/61/519004461.db2.gz ZUZVIDYCSXTAQL-PDGQHHTCSA-N 0 0 412.898 4.074 50 30 HIEARN C=CCOc1ccccc1CN(C(=O)c1cc(C)on1)c1ccc2c(c1)OCCO2 ZINC000032676353 519068387 /nfs/dbraw/zinc/06/83/87/519068387.db2.gz OEBHFJKZWPQXMT-UHFFFAOYSA-N 0 0 406.438 4.166 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c(OC)c1 ZINC000000997961 519136425 /nfs/dbraw/zinc/13/64/25/519136425.db2.gz LJVCCPOSAAXPII-UHFFFAOYSA-N 0 0 415.511 4.168 50 30 HIEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(Br)cc1 ZINC000000822732 519160995 /nfs/dbraw/zinc/16/09/95/519160995.db2.gz YNRDWGXBRVTPFG-UHFFFAOYSA-N 0 0 415.312 4.320 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000038536809 519189523 /nfs/dbraw/zinc/18/95/23/519189523.db2.gz NXKNGTACFIPGSH-OAHLLOKOSA-N 0 0 419.510 4.133 50 30 HIEARN C=CCn1c(SC[C@H]2CSc3nnc(-c4ccccc4)n32)nnc1-c1ccco1 ZINC000026118310 519237062 /nfs/dbraw/zinc/23/70/62/519237062.db2.gz WSCVFRVMKOKWAN-HNNXBMFYSA-N 0 0 422.539 4.422 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nc2sccc2c1=O ZINC000032946297 519250006 /nfs/dbraw/zinc/25/00/06/519250006.db2.gz RTAOFUQQGRIVKF-AWEZNQCLSA-N 0 0 403.573 4.131 50 30 HIEARN CCCCCCCC1CCC(C(=O)N[C@H](C(=O)NCC(=O)OCC)[C@H](C)CC)CC1 ZINC000097995704 519971602 /nfs/dbraw/zinc/97/16/02/519971602.db2.gz JCJDRNGOGNQUKC-LCLFBYRMSA-N 0 0 424.626 4.364 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccn1 ZINC000019762667 520209224 /nfs/dbraw/zinc/20/92/24/520209224.db2.gz NXXFITCULNRJBV-MHECFPHRSA-N 0 0 402.494 4.396 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(C)(=O)=O)[C@H]2c1cccs1 ZINC000021722803 520265513 /nfs/dbraw/zinc/26/55/13/520265513.db2.gz DVWNDBVVLTZKDT-IBGZPJMESA-N 0 0 402.541 4.324 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2OC)SC(=Cc2ccccc2)C1=O ZINC000036301409 520535574 /nfs/dbraw/zinc/53/55/74/520535574.db2.gz WFYZOICTLQHPRS-LDADJPATSA-N 0 0 411.479 4.247 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(OC)c2)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036258375 520537442 /nfs/dbraw/zinc/53/74/42/520537442.db2.gz GJFQLLGBBUGDEN-WOJGMQOQSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)cc(OC)c2)C1=O ZINC000036258384 520539461 /nfs/dbraw/zinc/53/94/61/520539461.db2.gz NCHMXGHDBJLVRL-LDADJPATSA-N 0 0 411.479 4.247 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cc(OC)ccc2O)C1=O ZINC000036258001 520539559 /nfs/dbraw/zinc/53/95/59/520539559.db2.gz MWMPPASCSSWUDO-GZTJUZNOSA-N 0 0 415.442 4.084 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000019761287 520815020 /nfs/dbraw/zinc/81/50/20/520815020.db2.gz WYOQRQRCJHJLDE-AUSIDOKSSA-N 0 0 402.494 4.395 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000019761284 520816728 /nfs/dbraw/zinc/81/67/28/520816728.db2.gz WYOQRQRCJHJLDE-CVDCTZTESA-N 0 0 402.494 4.395 50 30 HIEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(C(=O)OC)cc3)C(=O)N2CC)cc1 ZINC000097464901 520858483 /nfs/dbraw/zinc/85/84/83/520858483.db2.gz NBZOESCPMYMBRW-UVOXWLTBSA-N 0 0 410.495 4.496 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1c(OC)cccc1OC ZINC000328599767 521091723 /nfs/dbraw/zinc/09/17/23/521091723.db2.gz UACMOJRPRSYGOD-GCJKJVERSA-N 0 0 410.466 4.032 50 30 HIEARN CCCCn1nc(C(=O)N(CC)[C@H](C)c2ccc(C#N)cc2)c2ccccc2c1=O ZINC000032800871 521393038 /nfs/dbraw/zinc/39/30/38/521393038.db2.gz XCNHUVIPJMCXMK-QGZVFWFLSA-N 0 0 402.498 4.292 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2ccccc2F)c(C)n1 ZINC000032972994 521650779 /nfs/dbraw/zinc/65/07/79/521650779.db2.gz AQFWSMQSSDQDOQ-UHFFFAOYSA-N 0 0 411.456 4.278 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1ccccc1)NCc1c(C)nn(CC)c1C ZINC000032972174 521850982 /nfs/dbraw/zinc/85/09/82/521850982.db2.gz DGCTWIZCEDQKCQ-UHFFFAOYSA-N 0 0 403.530 4.480 50 30 HIEARN CCc1ccccc1NC1=C(C(=O)OC)C(=O)C(=Cc2ccc3c(c2)OCO3)S1 ZINC000036257710 521909119 /nfs/dbraw/zinc/90/91/19/521909119.db2.gz CPTLUTVGHAUYFP-WOJGMQOQSA-N 0 0 409.463 4.131 50 30 HIEARN COc1cc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000049551940 522048999 /nfs/dbraw/zinc/04/89/99/522048999.db2.gz PYXXOGUIYQVXSE-BOPFTXTBSA-N 0 0 415.449 4.407 50 30 HIEARN COc1cc(C(=O)/C(=C\c2cccnc2)c2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000051065494 522049283 /nfs/dbraw/zinc/04/92/83/522049283.db2.gz PYXXOGUIYQVXSE-GZTJUZNOSA-N 0 0 415.449 4.407 50 30 HIEARN COc1cc(NC(=O)[C@@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cc(OC)c1OC ZINC000049546492 522703061 /nfs/dbraw/zinc/70/30/61/522703061.db2.gz JIQOOALUTZLIJZ-GFCCVEGCSA-N 0 0 413.861 4.168 50 30 HIEARN COc1cc([C@@H]2C(C(=O)OC(C)(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000001466054 522914341 /nfs/dbraw/zinc/91/43/41/522914341.db2.gz JFFDEQPKASGQDI-HXUWFJFHSA-N 0 0 413.514 4.347 50 30 HIEARN CO[C@]1(/C(C)=N/O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499375 524028519 /nfs/dbraw/zinc/02/85/19/524028519.db2.gz FRVKEWVTLSYVMG-PFSMWDACSA-N 0 0 419.562 4.087 50 30 HIEARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1OC ZINC000006819531 524113599 /nfs/dbraw/zinc/11/35/99/524113599.db2.gz LWWDEZFVXQNFRJ-BBRMVZONSA-N 0 0 411.885 4.362 50 30 HIEARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(NN=C2c3ccccc3NC2=O)cc1 ZINC000023306016 524244359 /nfs/dbraw/zinc/24/43/59/524244359.db2.gz FUOXUCRWVBLWEH-QGZVFWFLSA-N 0 0 412.493 4.206 50 30 HIEARN COc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000020558866 524379095 /nfs/dbraw/zinc/37/90/95/524379095.db2.gz QKQIESRXLXMRHP-PXLXIMEGSA-N 0 0 420.490 4.181 50 30 HIEARN COc1ccc(N/N=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000034105924 524379479 /nfs/dbraw/zinc/37/94/79/524379479.db2.gz WMZYBEJSGSZYGH-UQQQWYQISA-N 0 0 402.435 4.265 50 30 HIEARN Cc1ccc(CNC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000020558933 524427498 /nfs/dbraw/zinc/42/74/98/524427498.db2.gz PBXUTKNNOJVHEU-XQNSMLJCSA-N 0 0 418.518 4.159 50 30 HIEARN C[C@@H]1CCO[P@](=O)([C@H](OS(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O1 ZINC000036372539 524547305 /nfs/dbraw/zinc/54/73/05/524547305.db2.gz FQVNDEYXCYMBGZ-SFXNISCSSA-N 0 0 423.638 4.107 50 30 HIEARN COc1ccc(Nc2nc(NC[C@@H]3CCCO3)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000020590665 524719766 /nfs/dbraw/zinc/71/97/66/524719766.db2.gz AIPLUZYSZXIDGI-KRWDZBQOSA-N 0 0 408.502 4.148 50 30 HIEARN COc1ccc(OC)c(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c1 ZINC000036066000 524800440 /nfs/dbraw/zinc/80/04/40/524800440.db2.gz MOACJKZREYOZJW-IKMPRTQCSA-N 0 0 409.482 4.400 50 30 HIEARN C[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O ZINC000036093463 525071412 /nfs/dbraw/zinc/07/14/12/525071412.db2.gz YJRGBBKBPXHOLB-CJARSDEPSA-N 0 0 402.317 4.303 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000019535766 525218291 /nfs/dbraw/zinc/21/82/91/525218291.db2.gz VKXQVNWQZMCPGA-JOCHJYFZSA-N 0 0 411.498 4.158 50 30 HIEARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)c(OC)c1 ZINC000012408572 525268691 /nfs/dbraw/zinc/26/86/91/525268691.db2.gz RKHJBAJUNGIJNO-SZNDQCEHSA-N 0 0 418.453 4.066 50 30 HIEARN Cc1c(C#N)c(SCC(=O)c2ccc(F)cc2)nc(N)c1C(=O)Nc1ccccc1 ZINC000040486460 525531369 /nfs/dbraw/zinc/53/13/69/525531369.db2.gz JKOCJNMIVMZPPT-UHFFFAOYSA-N 0 0 420.469 4.210 50 30 HIEARN C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CC(=O)NCCC#N ZINC000036408764 525716674 /nfs/dbraw/zinc/71/66/74/525716674.db2.gz ATGKMRKYLNBTIH-QAPCUYQASA-N 0 0 406.917 4.360 50 30 HIEARN Cc1c2c(cc3c1OCN(Cc1ccncc1)C3)C(=O)/C(=C\c1ccc(F)cc1)O2 ZINC000057165077 525932585 /nfs/dbraw/zinc/93/25/85/525932585.db2.gz NUVJOKFWUMFSJE-UFFVCSGVSA-N 0 0 402.425 4.497 50 30 HIEARN Cc1cc(/C=C/C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c(C)n1Cc1ccco1 ZINC000008777380 526082683 /nfs/dbraw/zinc/08/26/83/526082683.db2.gz PGKNDAAJJRQTOA-JBVUFVISSA-N 0 0 423.513 4.034 50 30 HIEARN N#CCN(C(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000023869940 526469676 /nfs/dbraw/zinc/46/96/76/526469676.db2.gz HYTRQHSDNMDKMW-UHFFFAOYSA-N 0 0 423.321 4.327 50 30 HIEARN N#Cc1c2c(c(-c3ccco3)nc1N1CCN(C(=O)c3ccccc3)CC1)CCCC2 ZINC000020573509 526530627 /nfs/dbraw/zinc/53/06/27/526530627.db2.gz OZKKPNLRURPFKY-UHFFFAOYSA-N 0 0 412.493 4.054 50 30 HIEARN O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNC1CCCCC1 ZINC000020575863 527139342 /nfs/dbraw/zinc/13/93/42/527139342.db2.gz QLSQBUVZMMWWDN-PDGQHHTCSA-N 0 0 420.531 4.184 50 30 HIEARN O=C(Nc1ccc(F)cc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(O)cc1 ZINC000064874130 527205285 /nfs/dbraw/zinc/20/52/85/527205285.db2.gz HNSQTKNYXLGAGR-OAQYLSRUSA-N 0 0 418.428 4.002 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000032908484 527326247 /nfs/dbraw/zinc/32/62/47/527326247.db2.gz CDTCBEQDUAJRMM-OAQYLSRUSA-N 0 0 415.518 4.176 50 30 HIEARN O=C(NC(NCCc1ccccc1F)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000019939233 527466387 /nfs/dbraw/zinc/46/63/87/527466387.db2.gz HKEDWRQZSJSSIY-UHFFFAOYSA-N 0 0 408.317 4.209 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccccc1)Nc1cc(C)ccc1C ZINC000032973581 527622030 /nfs/dbraw/zinc/62/20/30/527622030.db2.gz IOHVPMOQENCHEV-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(C)c1)Nc1cccc(C)c1C ZINC000032973699 527622189 /nfs/dbraw/zinc/62/21/89/527622189.db2.gz FILOWBQXZMOVFP-UHFFFAOYSA-N 0 0 417.557 4.403 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(F)c1)Nc1cc(C)ccc1C ZINC000032972586 527629106 /nfs/dbraw/zinc/62/91/06/527629106.db2.gz JTBVQJUETMAUKL-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000009046199 527672650 /nfs/dbraw/zinc/67/26/50/527672650.db2.gz HJGXDKNQPMJBBF-HXUWFJFHSA-N 0 0 421.884 4.205 50 30 HIEARN COc1ccc(N2CCN(c3oc(/C=C/c4ccc(F)cc4)nc3C#N)CC2)cc1 ZINC000008614892 536703645 /nfs/dbraw/zinc/70/36/45/536703645.db2.gz MRWXDKZCEPSJRY-NYYWCZLTSA-N 0 0 404.445 4.191 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000000666679 557045915 /nfs/dbraw/zinc/04/59/15/557045915.db2.gz VXLMVFZGDZNLJP-SBUREZEXSA-N 0 0 421.468 4.369 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000000666672 557045919 /nfs/dbraw/zinc/04/59/19/557045919.db2.gz VXLMVFZGDZNLJP-HXOBKFHXSA-N 0 0 421.468 4.369 50 30 HIEARN COc1cc(OC)cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000820487 557092332 /nfs/dbraw/zinc/09/23/32/557092332.db2.gz SCXBFDHXVOBHRR-NRFANRHFSA-N 0 0 413.514 4.259 50 30 HIEARN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000820529 557092354 /nfs/dbraw/zinc/09/23/54/557092354.db2.gz LAVQQTFGGPJGDJ-NRFANRHFSA-N 0 0 413.514 4.259 50 30 HIEARN 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CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\C=C\c2ccccc2)C1=O ZINC000015010940 558700311 /nfs/dbraw/zinc/70/03/11/558700311.db2.gz DYFVPBLWIUAGSP-QBWRGEQUSA-N 0 0 419.502 4.413 50 30 HIEARN COc1cc(Br)cc(/C=N/n2c(SC)nnc2-c2ccccc2)c1O ZINC000015015540 558701685 /nfs/dbraw/zinc/70/16/85/558701685.db2.gz CWIVADKREVJSKJ-VXLYETTFSA-N 0 0 419.304 4.026 50 30 HIEARN COc1ccc(CCN2C(N)=C(c3nc4ccccc4[nH]3)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000015977981 558765122 /nfs/dbraw/zinc/76/51/22/558765122.db2.gz GUDSSFQTRXCHAT-QHCPKHFHSA-N 0 0 424.504 4.068 50 30 HIEARN Cc1cccc(NC(=S)N[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)c1C ZINC000022941959 558794770 /nfs/dbraw/zinc/79/47/70/558794770.db2.gz JRDUGQVKIFYYIE-XLIONFOSSA-N 0 0 402.633 4.440 50 30 HIEARN CCOc1cc(/C=N/O)cc(I)c1OCc1cccc(F)c1 ZINC000016688595 558799899 /nfs/dbraw/zinc/79/98/99/558799899.db2.gz BTIZKHLZZMLTEY-DJKKODMXSA-N 0 0 415.202 4.216 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C)cc2)cc1 ZINC000016700800 558801495 /nfs/dbraw/zinc/80/14/95/558801495.db2.gz JEIARKPWAXJFEA-NRFANRHFSA-N 0 0 409.482 4.009 50 30 HIEARN N=C(NC(=NS(=O)(=O)c1ccccc1)c1ccccc1)SCc1ccccc1 ZINC000018176137 558832728 /nfs/dbraw/zinc/83/27/28/558832728.db2.gz LYDZSVLYOZQHQK-UHFFFAOYSA-N 0 0 409.536 4.070 50 30 HIEARN CCOc1cccc2cc(C(=O)/C=C/c3cc(OC)c(OC)cc3OC)c(=O)oc21 ZINC000004598227 558834128 /nfs/dbraw/zinc/83/41/28/558834128.db2.gz MJQAIRDNRPGPHM-MDZDMXLPSA-N 0 0 410.422 4.114 50 30 HIEARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000072312607 558837816 /nfs/dbraw/zinc/83/78/16/558837816.db2.gz FRVAGITZGUDNFH-KRWDZBQOSA-N 0 0 405.397 4.103 50 30 HIEARN O[C@H]1OCCC[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068568590 558863488 /nfs/dbraw/zinc/86/34/88/558863488.db2.gz YEMOXYUOUXISBX-UHNVWZDZSA-N 0 0 420.165 4.470 50 30 HIEARN C=CCc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(OC)c1O ZINC000004670521 558882831 /nfs/dbraw/zinc/88/28/31/558882831.db2.gz ONEKDFMJRBDSRZ-NUIIPWOLSA-N 0 0 417.490 4.434 50 30 HIEARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000033141809 558893476 /nfs/dbraw/zinc/89/34/76/558893476.db2.gz UQJUEYFTPFYCRA-UHFFFAOYSA-N 0 0 411.508 4.006 50 30 HIEARN COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N1C ZINC000004681112 558893856 /nfs/dbraw/zinc/89/38/56/558893856.db2.gz UREUWHZXGYJBAP-DVCONVQISA-N 0 0 417.918 4.247 50 30 HIEARN COC(=O)c1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019535807 558913778 /nfs/dbraw/zinc/91/37/78/558913778.db2.gz FVGAJYSGWWZLTP-HXUWFJFHSA-N 0 0 411.498 4.029 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)NC(=O)C[C@H]2c1ccc(CC)cc1 ZINC000004717950 558916028 /nfs/dbraw/zinc/91/60/28/558916028.db2.gz QBGJAWNDGWEBRB-HOIFWPIMSA-N 0 0 423.534 4.104 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC000019637719 558947572 /nfs/dbraw/zinc/94/75/72/558947572.db2.gz NRIABMVCNRKFDJ-MBSDFSHPSA-N 0 0 403.478 4.230 50 30 HIEARN Cn1nc(C(F)(F)F)cc1C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000097944409 558951222 /nfs/dbraw/zinc/95/12/22/558951222.db2.gz KBDXVPFBLUMBEQ-UHFFFAOYSA-N 0 0 409.183 4.266 50 30 HIEARN COc1ccc(N2C(=O)/C(=C\C(=O)c3c[nH]c4ccc(OC)cc43)SC2=S)cc1 ZINC000077024402 558999087 /nfs/dbraw/zinc/99/90/87/558999087.db2.gz FIOIJPJZGMFXHW-VXLYETTFSA-N 0 0 424.503 4.317 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1OC ZINC000004736520 559036435 /nfs/dbraw/zinc/03/64/35/559036435.db2.gz QQLUPXZCHKEIGR-UHFFFAOYSA-N 0 0 412.490 4.318 50 30 HIEARN N#Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000004811201 559068746 /nfs/dbraw/zinc/06/87/46/559068746.db2.gz HJQFMXIBVPGDBD-UHFFFAOYSA-N 0 0 404.282 4.381 50 30 HIEARN Cc1cc(=O)[nH]c(NN=C(N=Nc2ccc(Br)cc2)c2ccccc2)n1 ZINC000011419592 559074274 /nfs/dbraw/zinc/07/42/74/559074274.db2.gz DIQXORMVVWOQNJ-IJDGQVCGSA-N 0 0 411.263 4.398 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000095170310 559079401 /nfs/dbraw/zinc/07/94/01/559079401.db2.gz GZDKAOSNUQSMQD-JOCHJYFZSA-N 0 0 415.493 4.169 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102573355 559151250 /nfs/dbraw/zinc/15/12/50/559151250.db2.gz DPTPWRPUJXZMNS-SELCWUDQSA-N 0 0 414.845 4.470 50 30 HIEARN Cc1ccc(N(Cc2ccc(C#N)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000014124460 559152471 /nfs/dbraw/zinc/15/24/71/559152471.db2.gz COBZSVVCIYMMLI-UHFFFAOYSA-N 0 0 420.490 4.033 50 30 HIEARN O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1ccc(Cl)cc1 ZINC000100112228 559155231 /nfs/dbraw/zinc/15/52/31/559155231.db2.gz LORBMDQOBUYYLQ-UHFFFAOYSA-N 0 0 400.825 4.445 50 30 HIEARN CCN=C(Nc1ccc(F)cc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000103458503 559155771 /nfs/dbraw/zinc/15/57/71/559155771.db2.gz IDBWDEKMPIKJAL-INIZCTEOSA-N 0 0 405.882 4.141 50 30 HIEARN CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000100129405 559162118 /nfs/dbraw/zinc/16/21/18/559162118.db2.gz YJJUWHCQQJXVDG-ICSRJNTNSA-N 0 0 402.494 4.285 50 30 HIEARN N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000023394544 559173611 /nfs/dbraw/zinc/17/36/11/559173611.db2.gz MECZDHMQEDKBGP-UHFFFAOYSA-N 0 0 410.429 4.236 50 30 HIEARN O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccc(F)cc1 ZINC000100492468 559209899 /nfs/dbraw/zinc/20/98/99/559209899.db2.gz KUKUXGQIXGBBQJ-QOMWVZHYSA-N 0 0 422.460 4.202 50 30 HIEARN Cc1cccc(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c1 ZINC000100538008 559222132 /nfs/dbraw/zinc/22/21/32/559222132.db2.gz WYCMDKVEQNWCSF-NKFKGCMQSA-N 0 0 408.504 4.427 50 30 aggregator HIEARN CN(CCC#N)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000005013302 559228162 /nfs/dbraw/zinc/22/81/62/559228162.db2.gz RFDIJLZVMNVPNB-UHFFFAOYSA-N 0 0 413.886 4.146 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2c3ccccc3[nH]c2c1=O ZINC000005106763 559245950 /nfs/dbraw/zinc/24/59/50/559245950.db2.gz OEWQVRSPJMFBLN-UHFFFAOYSA-N 0 0 418.522 4.357 50 30 HIEARN C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)nc1C ZINC000011916135 559267231 /nfs/dbraw/zinc/26/72/31/559267231.db2.gz GUZCMMMXDYKPLY-UHFFFAOYSA-N 0 0 403.847 4.355 50 30 HIEARN CSc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005205654 560539346 /nfs/dbraw/zinc/53/93/46/560539346.db2.gz KLJUEGBQOJNGPH-SPLOXXLWSA-N 0 0 404.495 4.121 50 30 HIEARN CN(c1ccccc1)C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000005524455 560604822 /nfs/dbraw/zinc/60/48/22/560604822.db2.gz MQJYHVVZGORUOI-UHFFFAOYSA-N 0 0 416.864 4.497 50 30 aggregator HIEARN COc1ccc(/C(=N\OC(=O)c2ccco2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526814 560604974 /nfs/dbraw/zinc/60/49/74/560604974.db2.gz YSKMMBKDDLGVEC-YIUWNAERSA-N 0 0 405.406 4.382 50 30 HIEARN COc1ccc(/C(=N\OC(=O)c2ccco2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526813 560604978 /nfs/dbraw/zinc/60/49/78/560604978.db2.gz YSKMMBKDDLGVEC-BTMXNRKFSA-N 0 0 405.406 4.382 50 30 HIEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000100910213 560762585 /nfs/dbraw/zinc/76/25/85/560762585.db2.gz XMXGWKHBMYVHPM-MRCUWXFGSA-N 0 0 423.475 4.209 50 30 HIEARN C=CCn1c2ccc(C(C)C)cc2s/c1=N\C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000101042185 560767044 /nfs/dbraw/zinc/76/70/44/560767044.db2.gz WHRITZSTMNWSQO-DQRAZIAOSA-N 0 0 414.552 4.157 50 30 HIEARN C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nc2sc(C)c(C)c2c1=O ZINC000018058053 560774190 /nfs/dbraw/zinc/77/41/90/560774190.db2.gz KFEGLXFZHOCNPL-BETUJISGSA-N 0 0 405.589 4.142 50 30 HIEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O ZINC000018140499 560779755 /nfs/dbraw/zinc/77/97/55/560779755.db2.gz SVAISUDVKHCHPA-OAQYLSRUSA-N 0 0 409.482 4.334 50 30 HIEARN O=C1C[C@H](c2cccs2)CC2=Nc3nnnn3[C@H](c3c(Cl)cccc3Cl)C12 ZINC000018196285 560782516 /nfs/dbraw/zinc/78/25/16/560782516.db2.gz AOQIILXAEICVTE-VVVCHXIZSA-N 0 0 418.309 4.457 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccc(C)cc3)C2)cc1OC ZINC000018198503 560783658 /nfs/dbraw/zinc/78/36/58/560783658.db2.gz QCLMRHXAOIZXPW-SBUREZEXSA-N 0 0 416.481 4.019 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC ZINC000101284993 560790618 /nfs/dbraw/zinc/79/06/18/560790618.db2.gz GEYTWIAGCMODLD-HXUWFJFHSA-N 0 0 414.506 4.098 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccncc2)cc1 ZINC000102495211 560812273 /nfs/dbraw/zinc/81/22/73/560812273.db2.gz KMQSODATMKZSDM-MRJHHRETSA-N 0 0 402.425 4.151 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102532530 560813472 /nfs/dbraw/zinc/81/34/72/560813472.db2.gz FKHQIKMPFHAGFS-LFVOPCPISA-N 0 0 420.490 4.395 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3)ccc2O1 ZINC000102771421 560825207 /nfs/dbraw/zinc/82/52/07/560825207.db2.gz ZHYAMNDNASALDO-LVGPCEQESA-N 0 0 418.474 4.093 50 30 HIEARN COc1ccc(C=C2CCCC3=C2NC(NC#N)=N[C@H]3c2ccc(OC)cc2)cc1 ZINC000102792656 560827770 /nfs/dbraw/zinc/82/77/70/560827770.db2.gz KFPAWLRUFMXVSU-JIDPPIHHSA-N 0 0 400.482 4.296 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102880981 560833774 /nfs/dbraw/zinc/83/37/74/560833774.db2.gz QZASJCFAWQUTBM-CEKHLOFYSA-N 0 0 411.885 4.249 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000102882413 560833935 /nfs/dbraw/zinc/83/39/35/560833935.db2.gz BIHSNZDLVCXUDC-GHNGSUTGSA-N 0 0 410.882 4.418 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000104130932 560848356 /nfs/dbraw/zinc/84/83/56/560848356.db2.gz ICIZWYZDRGSFRJ-HOGKFDNTSA-N 0 0 401.437 4.490 50 30 HIEARN C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CC=C)cc1OC ZINC000012111612 560889319 /nfs/dbraw/zinc/88/93/19/560889319.db2.gz RBCBNKLCDGOCHL-JOCHJYFZSA-N 0 0 417.461 4.406 50 30 HIEARN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(F)c(F)c1 ZINC000044858943 560897535 /nfs/dbraw/zinc/89/75/35/560897535.db2.gz YOWWVXMCGDWTMH-OAQYLSRUSA-N 0 0 420.419 4.436 50 30 HIEARN O=C(N/C(=N/c1ccc(F)c(Cl)c1)NCc1ccncc1)c1ccc(F)cc1 ZINC000045939886 568421659 /nfs/dbraw/zinc/42/16/59/568421659.db2.gz POWGBAMJFJHMON-UHFFFAOYSA-N 0 0 400.816 4.221 50 30 HIEARN COc1ccc(Cl)cc1NC(=NCc1ccncc1)NC(=O)c1ccccc1C ZINC000045940164 568421694 /nfs/dbraw/zinc/42/16/94/568421694.db2.gz KMKGKXGZCSRNGI-UHFFFAOYSA-N 0 0 408.889 4.259 50 30 HIEARN CCc1ccccc1NC(=NC(=O)c1cccc(NC(C)=O)c1)NCc1ccccn1 ZINC000046126122 568428620 /nfs/dbraw/zinc/42/86/20/568428620.db2.gz YVHHEGFQLBLFHC-UHFFFAOYSA-N 0 0 415.497 4.001 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccccn2)cc1Cl ZINC000046126189 568428638 /nfs/dbraw/zinc/42/86/38/568428638.db2.gz NINXYAQIKSFOBO-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2cccnc2)Nc2cc(C)cc(C)c2)c1 ZINC000046128059 568428939 /nfs/dbraw/zinc/42/89/39/568428939.db2.gz JUHQINPXCRWMFS-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@H]1CCCO1 ZINC000046129935 568429240 /nfs/dbraw/zinc/42/92/40/568429240.db2.gz QZSCZTXUOCFFOA-CQSZACIVSA-N 0 0 407.848 4.304 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(F)c(F)c2)NC[C@@H]2CCCO2)cc1Cl ZINC000046131356 568429430 /nfs/dbraw/zinc/42/94/30/568429430.db2.gz NTDMACRTTVJRSF-AWEZNQCLSA-N 0 0 423.847 4.004 50 30 HIEARN CC(=O)Nc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C(C)C)c2)c1 ZINC000046133271 568429544 /nfs/dbraw/zinc/42/95/44/568429544.db2.gz CMVDKMLHOYZAIU-JOCHJYFZSA-N 0 0 422.529 4.145 50 30 HIEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(Br)c2)c1 ZINC000046132727 568430266 /nfs/dbraw/zinc/43/02/66/568430266.db2.gz BZXUWNYLYAPIDO-GOSISDBHSA-N 0 0 416.319 4.134 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(Cl)cc2C)c1 ZINC000046132899 568430314 /nfs/dbraw/zinc/43/03/14/568430314.db2.gz QLWCTLQPYQRTNR-GOSISDBHSA-N 0 0 401.894 4.034 50 30 HIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCCO1 ZINC000046132852 568430320 /nfs/dbraw/zinc/43/03/20/568430320.db2.gz HVRMQVNYKXKGND-HNNXBMFYSA-N 0 0 407.848 4.304 50 30 HIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c1C#N ZINC000012255948 568456483 /nfs/dbraw/zinc/45/64/83/568456483.db2.gz CKJHAIDBFVSHBB-SFHVURJKSA-N 0 0 412.317 4.157 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)Oc3ccc(Br)cc3Cl)CC2)nc1 ZINC000024748701 568461174 /nfs/dbraw/zinc/46/11/74/568461174.db2.gz VDBSKGAXBJSMAZ-UHFFFAOYSA-N 0 0 420.694 4.191 50 30 HIEARN N#Cc1c(C(F)(F)F)cc(-c2ccncc2)nc1SCC(=O)Nc1nccs1 ZINC000000730726 568469907 /nfs/dbraw/zinc/46/99/07/568469907.db2.gz QWGVDOBRVYCXLQ-UHFFFAOYSA-N 0 0 421.429 4.221 50 30 HIEARN COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1O ZINC000007350155 568479959 /nfs/dbraw/zinc/47/99/59/568479959.db2.gz BFRFNIRNPUWVDP-BQYQJAHWSA-N 0 0 416.271 4.186 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c2ccccc21 ZINC000000803688 568485780 /nfs/dbraw/zinc/48/57/80/568485780.db2.gz OGSBYTGQRYRNDF-HXUWFJFHSA-N 0 0 421.493 4.339 50 30 HIEARN CC(=O)[C@H](C)Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N ZINC000000804095 568486518 /nfs/dbraw/zinc/48/65/18/568486518.db2.gz RHVMVAHUYLRGRX-NSHDSACASA-N 0 0 408.401 4.480 50 30 HIEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1 ZINC000007977890 568487688 /nfs/dbraw/zinc/48/76/88/568487688.db2.gz HZQOHRVPNXXXPL-FMIVXFBMSA-N 0 0 408.479 4.062 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1OC)Nc1ccccc1-2 ZINC000002977444 568603906 /nfs/dbraw/zinc/60/39/06/568603906.db2.gz LYFVPJCQKMPXNG-LJQANCHMSA-N 0 0 408.483 4.337 50 30 HIEARN N#Cc1ccc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)c(C(F)(F)F)c1 ZINC000095399222 568604598 /nfs/dbraw/zinc/60/45/98/568604598.db2.gz CMRZQXLLUXXWND-UHFFFAOYSA-N 0 0 407.823 4.122 50 30 HIEARN COc1cccc(/C=N/c2ccc(-c3nn4c(nnc4C(F)(F)F)s3)cc2)c1O ZINC000095471417 568626674 /nfs/dbraw/zinc/62/66/74/568626674.db2.gz IXBPJTDKDLLWCR-LSFURLLWSA-N 0 0 419.388 4.336 50 30 HIEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1Cc1ccco1 ZINC000095953386 568668244 /nfs/dbraw/zinc/66/82/44/568668244.db2.gz MRMKPJPJPJBBSS-AWEZNQCLSA-N 0 0 413.528 4.044 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3F)C2)cc1 ZINC000012389377 568691372 /nfs/dbraw/zinc/69/13/72/568691372.db2.gz JSILQWHOQBESMV-XCLFUZPHSA-N 0 0 406.417 4.197 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccc(OC)c3)C2)cc1 ZINC000012408422 568712360 /nfs/dbraw/zinc/71/23/60/568712360.db2.gz GKFMTDLMGJYULE-YCRPNKLZSA-N 0 0 418.453 4.066 50 30 HIEARN Cc1cccc(C(=O)N2CCN(c3oc(-c4ccccc4Cl)nc3C#N)CC2)c1 ZINC000012418315 568718817 /nfs/dbraw/zinc/71/88/17/568718817.db2.gz XDPNFXUOCAPERU-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1 ZINC000012418793 568719222 /nfs/dbraw/zinc/71/92/22/568719222.db2.gz BXBDLCFUHXTDJG-CMDGGOBGSA-N 0 0 404.495 4.049 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(Cc3ccccc3)o1)CCCC2 ZINC000000888204 568736924 /nfs/dbraw/zinc/73/69/24/568736924.db2.gz WLRXZVYMWOSZKS-UHFFFAOYSA-N 0 0 410.524 4.203 50 30 HIEARN COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c(N)c2C#N)cc1OC ZINC000015085127 568749898 /nfs/dbraw/zinc/74/98/98/568749898.db2.gz WSHAPVIHBFAHFD-UHFFFAOYSA-N 0 0 405.845 4.188 50 30 HIEARN CCCCc1[nH]c(SCC(=O)Nc2[nH]c(CCSC)c(C)c2C#N)nc1C ZINC000015082920 568749954 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C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O ZINC000022416463 568767552 /nfs/dbraw/zinc/76/75/52/568767552.db2.gz JIABFVRAMJMWJB-XMMPIXPASA-N 0 0 417.415 4.471 50 30 HIEARN COc1cc(OC)c2ncc(C#N)c(NCc3cccnc3OCC(F)(F)F)c2c1 ZINC000225538038 568772306 /nfs/dbraw/zinc/77/23/06/568772306.db2.gz RBVPSOLHAJATET-UHFFFAOYSA-N 0 0 418.375 4.072 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 ZINC000002620038 568787083 /nfs/dbraw/zinc/78/70/83/568787083.db2.gz YOWKBAKKLACVMZ-QFIPXVFZSA-N 0 0 411.575 4.462 50 30 HIEARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4C[C@H]5O[C@@]5(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000257355962 568817912 /nfs/dbraw/zinc/81/79/12/568817912.db2.gz DXUKESFRWHAYGS-JDAFFOIRSA-N 0 0 416.558 4.391 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005931343 568830058 /nfs/dbraw/zinc/83/00/58/568830058.db2.gz CSQCQABMFKLXLP-ACJLOTCBSA-N 0 0 424.570 4.291 50 30 HIEARN Cc1cc(N2CCC(C(=O)NCc3ccccc3)CC2)n2c3ccccc3nc2c1C#N ZINC000012520419 568841093 /nfs/dbraw/zinc/84/10/93/568841093.db2.gz SWXQCMLPVJXWFP-UHFFFAOYSA-N 0 0 423.520 4.200 50 30 HIEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2CCC[C@@H]2c2cccn2C)c1C#N ZINC000012568186 568860874 /nfs/dbraw/zinc/86/08/74/568860874.db2.gz GAMQXMMCOAOCQP-OAQYLSRUSA-N 0 0 421.570 4.201 50 30 HIEARN COc1ccc2c(c1)c(C(=O)O[C@H](C)C(=O)Nc1sccc1C#N)c(C)n2C1CC1 ZINC000025634845 568866897 /nfs/dbraw/zinc/86/68/97/568866897.db2.gz WKHYCIBXLPKAHE-CYBMUJFWSA-N 0 0 423.494 4.410 50 30 HIEARN CCOc1ccc(/N=C2/S[C@@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 ZINC000057999367 568873618 /nfs/dbraw/zinc/87/36/18/568873618.db2.gz ZECVLFSFNCSXGV-LRWZUSMTSA-N 0 0 417.918 4.329 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)c2ccc(Br)o2)sc2c1CCCCC2 ZINC000003334880 568882549 /nfs/dbraw/zinc/88/25/49/568882549.db2.gz YDEPMSQLAYKHGC-UHFFFAOYSA-N 0 0 423.288 4.040 50 30 HIEARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1cccs1 ZINC000003362727 568888370 /nfs/dbraw/zinc/88/83/70/568888370.db2.gz ISHGLBBBKKRTQI-UHFFFAOYSA-N 0 0 403.920 4.282 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccccc3OC(F)F)sc2C1 ZINC000003366886 568889299 /nfs/dbraw/zinc/88/92/99/568889299.db2.gz YQLRLYPCOFPTTO-NSHDSACASA-N 0 0 420.437 4.141 50 30 HIEARN COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)cc1 ZINC000058179846 568896137 /nfs/dbraw/zinc/89/61/37/568896137.db2.gz NKVOCCWXXCWOKE-UHFFFAOYSA-N 0 0 421.478 4.098 50 30 HIEARN CCOc1ccc(-n2c3ccccc3nc2SCC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000003490910 568909377 /nfs/dbraw/zinc/90/93/77/568909377.db2.gz JIFYQMBGZIJCEK-HSZRJFAPSA-N 0 0 420.538 4.325 50 30 HIEARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2sccc2C#N)cc1C ZINC000003529788 568912716 /nfs/dbraw/zinc/91/27/16/568912716.db2.gz QIWMPFBCRKJALI-UHFFFAOYSA-N 0 0 418.474 4.263 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCO2 ZINC000001306457 568913574 /nfs/dbraw/zinc/91/35/74/568913574.db2.gz USEPKQSVPFFLDU-UHFFFAOYSA-N 0 0 413.886 4.488 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cncn1-c1ccc(F)cc1 ZINC000058440112 568919062 /nfs/dbraw/zinc/91/90/62/568919062.db2.gz ZAQHBODARFXFLN-UUYOSTAYSA-N 0 0 419.456 4.049 50 30 HIEARN CC(C)OC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)o1 ZINC000218047914 568924795 /nfs/dbraw/zinc/92/47/95/568924795.db2.gz RDCHXGYGWLVSTO-FBHDLOMBSA-N 0 0 405.406 4.435 50 30 HIEARN CC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004024680 568933850 /nfs/dbraw/zinc/93/38/50/568933850.db2.gz BHGMIXCYXMPJDA-QFIPXVFZSA-N 0 0 406.438 4.162 50 30 HIEARN N=C(NC(=N)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100046745 568935410 /nfs/dbraw/zinc/93/54/10/568935410.db2.gz BDVIKRZPWOTDRP-UHFFFAOYSA-N 0 0 407.105 4.196 50 30 HIEARN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004118335 568944317 /nfs/dbraw/zinc/94/43/17/568944317.db2.gz CUHFJFYZJUXTLF-QQDOKKFESA-N 0 0 417.373 4.439 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC 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ZINC000000706852 569005987 /nfs/dbraw/zinc/00/59/87/569005987.db2.gz SHPAUUCBNJBIII-UHFFFAOYSA-N 0 0 411.552 4.172 50 30 HIEARN C=C(C)Cn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CC(C)(C)OC3 ZINC000002213992 569007139 /nfs/dbraw/zinc/00/71/39/569007139.db2.gz WZHCASBEGRUFET-UHFFFAOYSA-N 0 0 416.930 4.295 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(F)cc1 ZINC000002323856 569007243 /nfs/dbraw/zinc/00/72/43/569007243.db2.gz HTVOLNJCVIMSTG-UHFFFAOYSA-N 0 0 412.490 4.318 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1ccncc1 ZINC000002396319 569007256 /nfs/dbraw/zinc/00/72/56/569007256.db2.gz QVRYWBAEZKWKSL-UHFFFAOYSA-N 0 0 422.558 4.103 50 30 HIEARN C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCc2ccc(C)cc2)cc1OC ZINC000012857549 569011213 /nfs/dbraw/zinc/01/12/13/569011213.db2.gz DNIKPXZSHVKMSY-QFIPXVFZSA-N 0 0 424.541 4.459 50 30 HIEARN C=CCSc1ccccc1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000020036688 569018691 /nfs/dbraw/zinc/01/86/91/569018691.db2.gz TWYJDJYUBGCVKL-UHFFFAOYSA-N 0 0 419.432 4.276 50 30 HIEARN N#Cc1ccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc1Cl ZINC000012881864 569018785 /nfs/dbraw/zinc/01/87/85/569018785.db2.gz ASZCQFHYMDTWEA-UHFFFAOYSA-N 0 0 400.837 4.344 50 30 HIEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3C(=O)NC3CC3)cc2)cc1 ZINC000012896333 569020329 /nfs/dbraw/zinc/02/03/29/569020329.db2.gz DVELYKPVLZFPFN-UHFFFAOYSA-N 0 0 411.461 4.135 50 30 HIEARN Cc1c(NC(=O)c2ccc(C#N)cc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000012913166 569022286 /nfs/dbraw/zinc/02/22/86/569022286.db2.gz YIYFBOYYURDMQS-UHFFFAOYSA-N 0 0 401.491 4.379 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC ZINC000006294210 569038103 /nfs/dbraw/zinc/03/81/03/569038103.db2.gz GTOJCMDAZRWGNV-NRFANRHFSA-N 0 0 409.482 4.391 50 30 HIEARN CCOC(=O)N1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C\c2ccc(OC)cc2)C1 ZINC000006340545 569043460 /nfs/dbraw/zinc/04/34/60/569043460.db2.gz LVBGFKBJTWSYKK-LRVMPXQBSA-N 0 0 407.466 4.212 50 30 HIEARN CCOC(=O)c1sc(NC(=O)CSc2nc3ccccc3s2)c(C#N)c1C ZINC000016474252 569052571 /nfs/dbraw/zinc/05/25/71/569052571.db2.gz ZOOWKLZCSIMBDA-UHFFFAOYSA-N 0 0 417.537 4.445 50 30 HIEARN C[C@@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)C1 ZINC000245053453 569055220 /nfs/dbraw/zinc/05/52/20/569055220.db2.gz OVHBEHWVZLGXJN-MJGOQNOKSA-N 0 0 400.482 4.217 50 30 HIEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)c2c1 ZINC000064473851 569063859 /nfs/dbraw/zinc/06/38/59/569063859.db2.gz XAKQBTHDYPUNAR-UHFFFAOYSA-N 0 0 402.473 4.087 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(O)c1 ZINC000005595908 569072038 /nfs/dbraw/zinc/07/20/38/569072038.db2.gz YXQNBXXFMQJFPV-LJQANCHMSA-N 0 0 409.825 4.417 50 30 HIEARN COc1cccc([C@H]2C3C(=O)CCCC3=Nc3nc(-c4cccc(C)c4)nn32)c1OC ZINC000006732441 569103479 /nfs/dbraw/zinc/10/34/79/569103479.db2.gz UDMNPICOSPIVJI-NRFANRHFSA-N 0 0 416.481 4.293 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006784121 569121433 /nfs/dbraw/zinc/12/14/33/569121433.db2.gz FHCACVMMYAAVTJ-OAQYLSRUSA-N 0 0 403.434 4.457 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000006812804 569136796 /nfs/dbraw/zinc/13/67/96/569136796.db2.gz NWGABZPBNCRCDG-INIZCTEOSA-N 0 0 412.492 4.310 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 ZINC000006813218 569136820 /nfs/dbraw/zinc/13/68/20/569136820.db2.gz GZPRBWDBISTOCD-NRFANRHFSA-N 0 0 400.434 4.182 50 30 HIEARN Cc1c(C(=O)N(CCC#N)c2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840682 569150949 /nfs/dbraw/zinc/15/09/49/569150949.db2.gz SQAHUXDFKXXPDY-UHFFFAOYSA-N 0 0 406.511 4.053 50 30 HIEARN O=C(c1ccc(F)cc1)C1C(C(F)F)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 ZINC000006926461 569183524 /nfs/dbraw/zinc/18/35/24/569183524.db2.gz XNRLRQCAMUZTMG-MRXNPFEDSA-N 0 0 404.779 4.488 50 30 HIEARN COc1ccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3)n2)cc1 ZINC000065147952 569184371 /nfs/dbraw/zinc/18/43/71/569184371.db2.gz JRGMNGCIICEVGU-IBGZPJMESA-N 0 0 413.481 4.120 50 30 HIEARN N#Cc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccccc4)no3)s2)c(F)c1 ZINC000065195958 569194471 /nfs/dbraw/zinc/19/44/71/569194471.db2.gz QMPKBIWWPWKSBM-UHFFFAOYSA-N 0 0 404.426 4.406 50 30 HIEARN C=CCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000007037474 569209050 /nfs/dbraw/zinc/20/90/50/569209050.db2.gz ZLMJVLZBMGCZLT-UHFFFAOYSA-N 0 0 412.536 4.355 50 30 HIEARN O=C([O-])c1ccc(NC(NC[C@H]2CCCO2)=[NH+]CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000065304897 569220346 /nfs/dbraw/zinc/22/03/46/569220346.db2.gz BPSIFHSTXREGPD-WWKNUYBVSA-N 0 0 411.546 4.138 50 30 HIEARN CCc1ccc(-c2csc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)cc1 ZINC000007286619 569231961 /nfs/dbraw/zinc/23/19/61/569231961.db2.gz JFHVTPULGVGNIO-UHFFFAOYSA-N 0 0 406.511 4.121 50 30 HIEARN Cc1cccc(Nc2nnc(SCC(=O)N(CCC#N)Cc3ccco3)s2)c1 ZINC000007291948 569232439 /nfs/dbraw/zinc/23/24/39/569232439.db2.gz WWOBYUKHDJEYSP-UHFFFAOYSA-N 0 0 413.528 4.218 50 30 HIEARN CCOc1cc(C#N)ccc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000007410536 569237036 /nfs/dbraw/zinc/23/70/36/569237036.db2.gz MKOGWDQPQBKFTB-UHFFFAOYSA-N 0 0 400.434 4.471 50 30 HIEARN C=CCn1c(SCC(=O)N(C)C2CCC(C)CC2)nc2ccc(Cl)cc2c1=O ZINC000007470988 569240225 /nfs/dbraw/zinc/24/02/25/569240225.db2.gz ATNMNKOFKQWZCY-UHFFFAOYSA-N 0 0 419.978 4.365 50 30 HIEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)C1(c2ccccc2F)CCCC1 ZINC000007562560 569250672 /nfs/dbraw/zinc/25/06/72/569250672.db2.gz AHEOSYDUVPHSDP-UHFFFAOYSA-N 0 0 416.474 4.073 50 30 HIEARN Cc1ccccc1CN1C(=O)CS/C1=N\N=C\c1ccc(Br)cc1 ZINC000013598752 569256598 /nfs/dbraw/zinc/25/65/98/569256598.db2.gz CBXQEZKOEJKEHH-MQIUFUGCSA-N 0 0 402.317 4.223 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000016946441 569268112 /nfs/dbraw/zinc/26/81/12/569268112.db2.gz LBCWZIMQKJWBFB-NRFANRHFSA-N 0 0 403.434 4.375 50 30 HIEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1C1CC1 ZINC000017082277 569273035 /nfs/dbraw/zinc/27/30/35/569273035.db2.gz QJHIKQAVTMJEON-UHFFFAOYSA-N 0 0 401.561 4.108 50 30 HIEARN COc1cc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)ccc1OCc1ccccc1F ZINC000000936866 569276900 /nfs/dbraw/zinc/27/69/00/569276900.db2.gz TXKLTEINNGUNKV-JOCHJYFZSA-N 0 0 420.444 4.027 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1ccco1 ZINC000002415025 569288276 /nfs/dbraw/zinc/28/82/76/569288276.db2.gz OQJAQDXQZSXUBL-UHFFFAOYSA-N 0 0 411.531 4.301 50 30 HIEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(Cl)cc3)S2)c1 ZINC000252593021 569296029 /nfs/dbraw/zinc/29/60/29/569296029.db2.gz BHZVWXQMJFMEJZ-KRWDZBQOSA-N 0 0 417.918 4.329 50 30 HIEARN Cc1c(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000252600240 569296693 /nfs/dbraw/zinc/29/66/93/569296693.db2.gz DPNRTKAEBAHJAP-UHFFFAOYSA-N 0 0 402.410 4.403 50 30 HIEARN CN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(Br)cc1 ZINC000252604816 569297379 /nfs/dbraw/zinc/29/73/79/569297379.db2.gz GDRMXBDHICLWAY-OAHLLOKOSA-N 0 0 418.316 4.039 50 30 HIEARN C=CCNN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=Nc1nnc(CC)s1 ZINC000252607797 569297708 /nfs/dbraw/zinc/29/77/08/569297708.db2.gz HEGMCPPDDQNLRK-VGMPPWMTSA-N 0 0 405.936 4.049 50 30 HIEARN O=C1C(=Nc2ccccc2)c2ccccc2N1CN1CCN(c2ccc(F)cc2)CC1 ZINC000252612733 569300560 /nfs/dbraw/zinc/30/05/60/569300560.db2.gz IVBLMNULGYCEJC-UHFFFAOYSA-N 0 0 414.484 4.073 50 30 HIEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccc(F)cc3)S2)cc1 ZINC000252618603 569302593 /nfs/dbraw/zinc/30/25/93/569302593.db2.gz LIIMBIKTHGAITJ-GOSISDBHSA-N 0 0 415.490 4.205 50 30 HIEARN O=S(=O)(NN=Cc1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000252619844 569303610 /nfs/dbraw/zinc/30/36/10/569303610.db2.gz LSVBMXMGGRQONR-UHFFFAOYSA-N 0 0 408.104 4.068 50 30 HIEARN CCOc1cccc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c1 ZINC000252620398 569304356 /nfs/dbraw/zinc/30/43/56/569304356.db2.gz MDGXKQZIWWKYPL-VUARGGTQSA-N 0 0 410.495 4.496 50 30 HIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000007759934 569307338 /nfs/dbraw/zinc/30/73/38/569307338.db2.gz CTKKWTOKCOKKJZ-ZRDIBKRKSA-N 0 0 419.481 4.290 50 30 HIEARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000007763730 569307725 /nfs/dbraw/zinc/30/77/25/569307725.db2.gz MQXIMPLMJYWFEC-ZDUSSCGKSA-N 0 0 401.561 4.165 50 30 HIEARN COc1ccc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000252626006 569310301 /nfs/dbraw/zinc/31/03/01/569310301.db2.gz QUCCLKJZTWKLNY-UHFFFAOYSA-N 0 0 400.609 4.276 50 30 HIEARN COc1ccc(-c2ccc(C=Nc3ccc(N4CCOCC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000252630867 569312461 /nfs/dbraw/zinc/31/24/61/569312461.db2.gz VFFYRUCMLUHBAI-UHFFFAOYSA-N 0 0 407.426 4.451 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3ccc(OC)c(C)c3)C(=O)N2C)cc1 ZINC000252632034 569313381 /nfs/dbraw/zinc/31/33/81/569313381.db2.gz VOTVNHHVHSHUDN-LRSFCCPYSA-N 0 0 410.495 4.414 50 30 HIEARN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1c(C)n[nH]c1C ZINC000252641534 569318639 /nfs/dbraw/zinc/31/86/39/569318639.db2.gz ZEKFZJQVDNRROP-OKRDOIMASA-N 0 0 415.544 4.029 50 30 HIEARN C=C1C[C@@H]2[C@H]3C=C(OC)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O ZINC000033634184 569363489 /nfs/dbraw/zinc/36/34/89/569363489.db2.gz WNAXMHYJJJYQJJ-GUUPXXPBSA-N 0 0 412.526 4.325 50 30 HIEARN C=CCNC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 ZINC000002296024 569369358 /nfs/dbraw/zinc/36/93/58/569369358.db2.gz PNRJOOQSQRCFKX-XLNRJJMWSA-N 0 0 409.489 4.405 50 30 HIEARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N ZINC000000629573 569383853 /nfs/dbraw/zinc/38/38/53/569383853.db2.gz YQMPCZJWUVKKTB-UHFFFAOYSA-N 0 0 412.236 4.322 50 30 HIEARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000006839236 569387395 /nfs/dbraw/zinc/38/73/95/569387395.db2.gz DETHCJRLCIQBRL-FMIVXFBMSA-N 0 0 410.495 4.092 50 30 HIEARN N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000027792976 569395311 /nfs/dbraw/zinc/39/53/11/569395311.db2.gz LJFFDMNFVBPPAZ-FQEVSTJZSA-N 0 0 408.889 4.352 50 30 HIEARN N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@@H](c1ccco1)N1CCOCC1 ZINC000027795058 569395312 /nfs/dbraw/zinc/39/53/12/569395312.db2.gz NBBUNBFPLLPMFU-NRFANRHFSA-N 0 0 414.465 4.445 50 30 HIEARN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000082108715 569403559 /nfs/dbraw/zinc/40/35/59/569403559.db2.gz YUSPMYSCZIGWHR-UHFFFAOYSA-N 0 0 422.481 4.291 50 30 HIEARN COc1cc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc(OC)c1OC ZINC000012860666 569404196 /nfs/dbraw/zinc/40/41/96/569404196.db2.gz UNQSZRBOAMSLPE-MFOYZWKCSA-N 0 0 412.438 4.280 50 30 HIEARN COc1cc(OC)c(/C=N/c2sc3c(c2C(N)=O)CCCC3)cc1Br ZINC000013895486 569414656 /nfs/dbraw/zinc/41/46/56/569414656.db2.gz RHNDAKGYLNAPAX-ZVBGSRNCSA-N 0 0 423.332 4.256 50 30 HIEARN CCOC(=O)[C@@]1(CCSc2nc(C)cc(C(F)(F)F)c2C#N)CCCC1=O ZINC000078965617 569422205 /nfs/dbraw/zinc/42/22/05/569422205.db2.gz ODZLZJZQVXCRAZ-QGZVFWFLSA-N 0 0 400.422 4.065 50 30 HIEARN N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCOCC1 ZINC000039404150 571132161 /nfs/dbraw/zinc/13/21/61/571132161.db2.gz ASRAEVSTFPDLLS-UHFFFAOYSA-N 0 0 401.422 4.375 50 30 HIEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008914585 571150484 /nfs/dbraw/zinc/15/04/84/571150484.db2.gz LEIBYBVTXKLSPS-OAQYLSRUSA-N 0 0 416.433 4.331 50 30 HIEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008914586 571150526 /nfs/dbraw/zinc/15/05/26/571150526.db2.gz LEIBYBVTXKLSPS-NRFANRHFSA-N 0 0 416.433 4.331 50 30 HIEARN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000040090217 571160575 /nfs/dbraw/zinc/16/05/75/571160575.db2.gz ISLXMFQVKLAGHO-RDJZCZTQSA-N 0 0 421.335 4.279 50 30 HIEARN CC(C)N(C[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000040152831 571200317 /nfs/dbraw/zinc/20/03/17/571200317.db2.gz OTBWTGZITCQDOU-QGZVFWFLSA-N 0 0 402.495 4.328 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O ZINC000009110728 571222563 /nfs/dbraw/zinc/22/25/63/571222563.db2.gz PFPANEZRZRTWNI-NRFANRHFSA-N 0 0 401.418 4.184 50 30 HIEARN C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000009119019 571224703 /nfs/dbraw/zinc/22/47/03/571224703.db2.gz 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CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@@H]2c1cccnc1 ZINC000009348565 571250512 /nfs/dbraw/zinc/25/05/12/571250512.db2.gz QOGZUGWXCYPMBO-LJQANCHMSA-N 0 0 423.476 4.354 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000009363588 571251674 /nfs/dbraw/zinc/25/16/74/571251674.db2.gz IXLXNCBPWURRHA-LJQANCHMSA-N 0 0 422.368 4.105 50 30 HIEARN N#Cc1c(SCC(=O)NCc2ccccc2)nc2c(c1C(F)(F)F)CCCC2 ZINC000009423306 571257522 /nfs/dbraw/zinc/25/75/22/571257522.db2.gz OBABBTMQPVNYOM-UHFFFAOYSA-N 0 0 405.445 4.259 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000009428657 571258031 /nfs/dbraw/zinc/25/80/31/571258031.db2.gz WVZFZYHDTSDKSY-LJQANCHMSA-N 0 0 422.368 4.105 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000009428658 571258075 /nfs/dbraw/zinc/25/80/75/571258075.db2.gz WVZFZYHDTSDKSY-IBGZPJMESA-N 0 0 422.368 4.105 50 30 HIEARN 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ZINC000032971875 523639399 /nfs/dbraw/zinc/63/93/99/523639399.db2.gz AHRWJONPBBACAQ-UHFFFAOYSA-N 0 0 419.529 4.235 50 30 HIEARN CCc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000032575660 523858846 /nfs/dbraw/zinc/85/88/46/523858846.db2.gz DVXMUTJNLPLSFJ-IWIPYMOSSA-N 0 0 404.495 4.105 50 30 HIEARN COc1ccc(CCNC2=C(C(=O)Cc3ccccc3)C(=O)CC(C)(C)C2)cc1OC ZINC000100125999 523973326 /nfs/dbraw/zinc/97/33/26/523973326.db2.gz UZAAYBKYEAGWBT-UHFFFAOYSA-N 0 0 421.537 4.291 50 30 HIEARN Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c1 ZINC000017948646 524155686 /nfs/dbraw/zinc/15/56/86/524155686.db2.gz CNTDJYWDVJEVPQ-IYBDPMFKSA-N 0 0 404.507 4.437 50 30 HIEARN COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccn1C)C3=O ZINC000253406581 524750150 /nfs/dbraw/zinc/75/01/50/524750150.db2.gz JBTGZRSYYALCOT-BRLDDBHUSA-N 0 0 401.418 4.091 50 30 HIEARN Cc1ccc(S(=O)(=O)OCCc2ccc(C(C)(C)C3=NC(C)(C)CO3)cc2)cc1 ZINC000022016872 525620608 /nfs/dbraw/zinc/62/06/08/525620608.db2.gz 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N#Cc1nc(-c2cccs2)oc1NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000027792965 526785987 /nfs/dbraw/zinc/78/59/87/526785987.db2.gz DUKONWZMAHXPCZ-KRWDZBQOSA-N 0 0 414.918 4.414 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl ZINC000008838267 526833289 /nfs/dbraw/zinc/83/32/89/526833289.db2.gz JYCWIIPBAILXSI-YVEFUNNKSA-N 0 0 403.887 4.159 50 30 HIEARN O=C(Nc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1)c1ccco1 ZINC000022476649 527162196 /nfs/dbraw/zinc/16/21/96/527162196.db2.gz ZXDSFFRFEOWWME-UHFFFAOYSA-N 0 0 412.367 4.332 50 30 HIEARN O=[N+]([O-])c1ccc(CCN2CCCC/C2=N\S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000100102756 527347259 /nfs/dbraw/zinc/34/72/59/527347259.db2.gz BKRSVROQVRTSND-XUTLUUPISA-N 0 0 421.906 4.064 50 30 HIEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000032922016 527545840 /nfs/dbraw/zinc/54/58/40/527545840.db2.gz TZWNZKWJAZWDLH-UHFFFAOYSA-N 0 0 420.394 4.197 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1cccc(F)c1 ZINC000032973745 527622814 /nfs/dbraw/zinc/62/28/14/527622814.db2.gz SXIQCDUGHHZFBB-UHFFFAOYSA-N 0 0 421.520 4.233 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccccc1)Nc1cccc(Cl)c1 ZINC000032973625 527624129 /nfs/dbraw/zinc/62/41/29/527624129.db2.gz DBRKFZSOUWLPDP-UHFFFAOYSA-N 0 0 409.921 4.131 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(F)c1)Nc1cc(C)cc(C)c1 ZINC000032972658 527627202 /nfs/dbraw/zinc/62/72/02/527627202.db2.gz WVCVMICVJGXXSR-UHFFFAOYSA-N 0 0 421.520 4.499 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccccc1C ZINC000032972390 527627905 /nfs/dbraw/zinc/62/79/05/527627905.db2.gz VTBJBUVYTMRLQL-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1cccc(C)c1 ZINC000032972632 527629273 /nfs/dbraw/zinc/62/92/73/527629273.db2.gz CWPNOCJQVQKMEF-UHFFFAOYSA-N 0 0 409.921 4.397 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(F)c1)Nc1ccc(C)cc1C ZINC000032972585 527629327 /nfs/dbraw/zinc/62/93/27/527629327.db2.gz ZILBLEMDYDRUNG-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)o1 ZINC000000702720 557062442 /nfs/dbraw/zinc/06/24/42/557062442.db2.gz SCVYCUGZQKPNPE-HXUWFJFHSA-N 0 0 406.438 4.026 50 30 HIEARN Cc1cccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000708816 557065222 /nfs/dbraw/zinc/06/52/22/557065222.db2.gz MFCOQDOQWKEJDH-XMSQKQJNSA-N 0 0 409.526 4.321 50 30 biogenic HIEARN CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccc(OC)cc3)o2)cc1 ZINC000001041907 557153674 /nfs/dbraw/zinc/15/36/74/557153674.db2.gz AJRKVNCGVLMQBQ-OEAKJJBVSA-N 0 0 423.494 4.452 50 30 HIEARN COc1cc(/C=N/c2ccc(C)c(I)c2)ccc1OC(C)=O ZINC000001060792 557163724 /nfs/dbraw/zinc/16/37/24/557163724.db2.gz MIFPCLNHUVCMEY-VXLYETTFSA-N 0 0 409.223 4.284 50 30 HIEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1 ZINC000001107204 557180399 /nfs/dbraw/zinc/18/03/99/557180399.db2.gz XNGRGCUOPOEGPV-LJQANCHMSA-N 0 0 418.877 4.415 50 30 HIEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21 ZINC000001150359 557210618 /nfs/dbraw/zinc/21/06/18/557210618.db2.gz QASKTMLJSUWCMQ-HRBBJJPOSA-N 0 0 407.853 4.340 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F ZINC000001438559 557263304 /nfs/dbraw/zinc/26/33/04/557263304.db2.gz IMICYJXCLONDQP-CMJOXMDJSA-N 0 0 421.468 4.369 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC ZINC000002069331 557306618 /nfs/dbraw/zinc/30/66/18/557306618.db2.gz BSZSYQPZVQXOJW-FQEVSTJZSA-N 0 0 411.498 4.037 50 30 HIEARN Cc1cccc(NC(=O)c2c(N)n(/N=C/c3ccncc3)c3nc4ccccc4nc32)c1 ZINC000002234502 557329612 /nfs/dbraw/zinc/32/96/12/557329612.db2.gz UOJQAGZRWAWCAL-MZJWZYIUSA-N 0 0 421.464 4.005 50 30 HIEARN CCOC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1 ZINC000002573162 557357512 /nfs/dbraw/zinc/35/75/12/557357512.db2.gz UBPJWXLHWUNRGZ-HXUWFJFHSA-N 0 0 406.457 4.170 50 30 HIEARN CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000002775713 557385257 /nfs/dbraw/zinc/38/52/57/557385257.db2.gz GINKYSZMLNMTBI-OAQYLSRUSA-N 0 0 415.505 4.400 50 30 HIEARN O=c1c(Cl)c(N=NCc2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000003961755 557503903 /nfs/dbraw/zinc/50/39/03/557503903.db2.gz XGOAMKIHJBMTBL-KEBDBYFISA-N 0 0 403.667 4.094 50 30 HIEARN CN(C)c1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cccc4ccccc43)S2)cc1 ZINC000004159525 557521484 /nfs/dbraw/zinc/52/14/84/557521484.db2.gz QKTWHZITWRSBSM-MNQDVBFDSA-N 0 0 402.523 4.070 50 30 HIEARN Cc1[nH]c2ccccc2c1CN=Nc1nc(Nc2ccc(F)cc2)nc(N(C)C)n1 ZINC000004474700 557557299 /nfs/dbraw/zinc/55/72/99/557557299.db2.gz CMWBEJXPLWZTNT-FSJBWODESA-N 0 0 404.453 4.056 50 30 HIEARN CCCCCOc1ccc(-c2n[nH]c(=O)cc2NN=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004517623 557562727 /nfs/dbraw/zinc/56/27/27/557562727.db2.gz MSVHDIIPAKUPID-HZHRSRAPSA-N 0 0 421.457 4.360 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 ZINC000004699852 557583164 /nfs/dbraw/zinc/58/31/64/557583164.db2.gz XHHPEUJDTBAJFR-LTUQMTLXSA-N 0 0 405.882 4.459 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 ZINC000004699887 557583461 /nfs/dbraw/zinc/58/34/61/557583461.db2.gz FOMBLQNDBPKQBP-VLZBMTSBSA-N 0 0 411.527 4.292 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000004915291 557613786 /nfs/dbraw/zinc/61/37/86/557613786.db2.gz KQVCLBRCIISNSG-DOTOQJQBSA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1OC ZINC000004945090 557615935 /nfs/dbraw/zinc/61/59/35/557615935.db2.gz KPMIMPIPSWSKEH-UZUQRXQVSA-N 0 0 416.481 4.019 50 30 HIEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]1CC2 ZINC000004957022 557617082 /nfs/dbraw/zinc/61/70/82/557617082.db2.gz BJIZUXWOJCFDQX-BUSFYLHUSA-N 0 0 405.454 4.420 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)c1 ZINC000004986791 557621026 /nfs/dbraw/zinc/62/10/26/557621026.db2.gz LAYGDKMSJVCSPN-RDTXWAMCSA-N 0 0 411.885 4.362 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1 ZINC000005027541 557627368 /nfs/dbraw/zinc/62/73/68/557627368.db2.gz OEEOWVHBBQDKLJ-VFNWGFHPSA-N 0 0 415.555 4.383 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000005584137 557663415 /nfs/dbraw/zinc/66/34/15/557663415.db2.gz LWOLTGAMSZPXGC-QFIPXVFZSA-N 0 0 414.461 4.177 50 30 HIEARN COc1ccc(CN=C(Nc2cc(OC)c(OC)cc2C#N)SC)cc1Cl ZINC000005676019 557668332 /nfs/dbraw/zinc/66/83/32/557668332.db2.gz TWZMKYBOUXKGLH-UHFFFAOYSA-N 0 0 405.907 4.378 50 30 HIEARN CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl ZINC000008435263 557788925 /nfs/dbraw/zinc/78/89/25/557788925.db2.gz PBPXXFPGBIARCY-KAMYIIQDSA-N 0 0 412.987 4.409 50 30 HIEARN COc1ccc(CN=Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])cc1 ZINC000008450156 557790737 /nfs/dbraw/zinc/79/07/37/557790737.db2.gz ZOXCZAJNSRRCKH-OEAKJJBVSA-N 0 0 420.425 4.310 50 30 HIEARN O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@H]1Cc1ccc(Br)cc1 ZINC000008739597 557803463 /nfs/dbraw/zinc/80/34/63/557803463.db2.gz HPRLZEQEEBWCES-VYXQJKENSA-N 0 0 422.735 4.267 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(OC)c(OC)c2)c1=O ZINC000097474793 557809411 /nfs/dbraw/zinc/80/94/11/557809411.db2.gz NLIGZSDTODZUGQ-UITAMQMPSA-N 0 0 418.287 4.154 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccncc4)nc3c1[C@H]2c1ccccc1 ZINC000009304781 557835703 /nfs/dbraw/zinc/83/57/03/557835703.db2.gz XIBKFZBGAVEEIZ-IBGZPJMESA-N 0 0 423.476 4.354 50 30 HIEARN COc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CCC1)[C@@H]3c1ccccc1 ZINC000009429679 557843033 /nfs/dbraw/zinc/84/30/33/557843033.db2.gz CSYFNZORJONEHW-FQEVSTJZSA-N 0 0 424.460 4.331 50 30 HIEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000019731687 558259593 /nfs/dbraw/zinc/25/95/93/558259593.db2.gz YABZYBXDMKEBAG-OAQYLSRUSA-N 0 0 410.470 4.439 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(F)F)cc1 ZINC000019732204 558259877 /nfs/dbraw/zinc/25/98/77/558259877.db2.gz LELQFIMBBPOOMK-GOSISDBHSA-N 0 0 405.441 4.455 50 30 HIEARN CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(N(C)C)cc1 ZINC000004331420 558263097 /nfs/dbraw/zinc/26/30/97/558263097.db2.gz MNVYKJWUJQZGTA-QGZVFWFLSA-N 0 0 423.586 4.437 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccn1 ZINC000019770278 558279179 /nfs/dbraw/zinc/27/91/79/558279179.db2.gz QDOHZHBCRIYWGA-MZNJEOGPSA-N 0 0 418.493 4.015 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccn1 ZINC000019770277 558279231 /nfs/dbraw/zinc/27/92/31/558279231.db2.gz QDOHZHBCRIYWGA-XDHUDOTRSA-N 0 0 418.493 4.015 50 30 HIEARN COc1ccc(-c2nc(C)c(C(=O)OCCOc3ccc(C#N)cc3)s2)cc1OC ZINC000010694705 558418165 /nfs/dbraw/zinc/41/81/65/558418165.db2.gz YZYLZZQFQLJFKS-UHFFFAOYSA-N 0 0 424.478 4.243 50 30 HIEARN C=CCc1ccccc1OCCn1c2ccccc2nc1[C@@H]1CC(=O)N(CC=C)C1 ZINC000004385950 558483339 /nfs/dbraw/zinc/48/33/39/558483339.db2.gz SBRPCRWILLOEQE-HXUWFJFHSA-N 0 0 401.510 4.346 50 30 HIEARN Cc1ccc(C2=NN(CCO)/C(=N\c3ccc(OC(F)(F)F)cc3)SC2)cc1 ZINC000013659154 558559570 /nfs/dbraw/zinc/55/95/70/558559570.db2.gz CZPHTHBMQQTDLA-PTGBLXJZSA-N 0 0 409.433 4.327 50 30 HIEARN C=CCn1c(SC)nnc1-c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000003041832 558651904 /nfs/dbraw/zinc/65/19/04/558651904.db2.gz LOSWLYRHIYLPMP-UHFFFAOYSA-N 0 0 407.326 4.370 50 30 HIEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000004538209 558661224 /nfs/dbraw/zinc/66/12/24/558661224.db2.gz BJNXTCZNNSJWBT-OAQYLSRUSA-N 0 0 418.449 4.160 50 30 HIEARN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000072271990 558677064 /nfs/dbraw/zinc/67/70/64/558677064.db2.gz IVPOKCKQBOXDTP-UHFFFAOYSA-N 0 0 407.491 4.081 50 30 HIEARN C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000072271991 558677369 /nfs/dbraw/zinc/67/73/69/558677369.db2.gz JBWQXMBKIZBDQY-UHFFFAOYSA-N 0 0 407.491 4.081 50 30 HIEARN Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)c2cccc(OC(F)(F)F)c2n1 ZINC000072286873 558717850 /nfs/dbraw/zinc/71/78/50/558717850.db2.gz BMTAFMIESPHEHV-UHFFFAOYSA-N 0 0 413.403 4.035 50 30 HIEARN CN(C(=O)CN(CCC#N)Cc1ccccn1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000072308643 558769777 /nfs/dbraw/zinc/76/97/77/558769777.db2.gz YWXNLEQUHBXPSE-RUZDIDTESA-N 0 0 416.500 4.184 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1OC ZINC000003323436 558771521 /nfs/dbraw/zinc/77/15/21/558771521.db2.gz NGDJZITVTLFSIV-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN CCOC(=O)c1ccc(/N=C2\S/C(=C/c3cc4c(cc3C)OCO4)C(=O)N2C)cc1 ZINC000016247946 558780651 /nfs/dbraw/zinc/78/06/51/558780651.db2.gz BYUKZEBTNXCZTL-AUEHGNIOSA-N 0 0 424.478 4.134 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1 ZINC000016310477 558785341 /nfs/dbraw/zinc/78/53/41/558785341.db2.gz HRACBZCQMSEVMJ-LFVJCYFKSA-N 0 0 401.491 4.192 50 30 HIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000033011225 558831212 /nfs/dbraw/zinc/83/12/12/558831212.db2.gz KQGCBUJUHIDUTE-UHFFFAOYSA-N 0 0 420.450 4.268 50 30 HIEARN COc1ccc(/C=C/C(=O)c2cc3cc(Cl)ccc3oc2=O)c(OC)c1OC ZINC000004598226 558834103 /nfs/dbraw/zinc/83/41/03/558834103.db2.gz UZBGRSPVNMKYLP-QPJJXVBHSA-N 0 0 400.814 4.368 50 30 HIEARN COc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc(C#N)cc3)ccc2C1=O ZINC000013627938 558848806 /nfs/dbraw/zinc/84/88/06/558848806.db2.gz JEQDPUCDQXQSEE-MSXFZWOLSA-N 0 0 411.413 4.445 50 30 HIEARN COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3ccco3)CO4)C2=O)c1 ZINC000013689495 558855316 /nfs/dbraw/zinc/85/53/16/558855316.db2.gz YOQXLPATSXEMDH-JJFYIABZSA-N 0 0 419.433 4.265 50 30 HIEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000013693029 558856204 /nfs/dbraw/zinc/85/62/04/558856204.db2.gz WRUGRQFLRVZWOI-GOSISDBHSA-N 0 0 423.469 4.073 50 30 HIEARN Cc1cc(C)n(-c2nc(N=NCc3ccccc3F)nc(Nc3ccc(C)cc3)n2)n1 ZINC000004619128 558865270 /nfs/dbraw/zinc/86/52/70/558865270.db2.gz LSDYKGYSQJPUNH-ZMOGYAJESA-N 0 0 416.464 4.311 50 30 HIEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c1 ZINC000033116579 558877849 /nfs/dbraw/zinc/87/78/49/558877849.db2.gz LTKSBKDZNUEUQE-UHFFFAOYSA-N 0 0 402.479 4.021 50 30 HIEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CCCC3=O)s1 ZINC000004686092 558895454 /nfs/dbraw/zinc/89/54/54/558895454.db2.gz DWCPMZSKQRHERC-AWEZNQCLSA-N 0 0 415.515 4.483 50 30 HIEARN COc1ccc(Cl)cc1NC(=O)CSc1nc2c(cc1C#N)N1CCC2CC1 ZINC000004707151 558906842 /nfs/dbraw/zinc/90/68/42/558906842.db2.gz KQYDGXZTLWFBAQ-UHFFFAOYSA-N 0 0 414.918 4.043 50 30 HIEARN CNC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccc(Br)cc3)cc2)O1 ZINC000071769388 558911124 /nfs/dbraw/zinc/91/11/24/558911124.db2.gz PFOCNVBPIJSPTF-AZUAARDMSA-N 0 0 416.271 4.169 50 30 HIEARN COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000019536196 558913781 /nfs/dbraw/zinc/91/37/81/558913781.db2.gz NXMOOZGTEGJPGD-QFIPXVFZSA-N 0 0 411.498 4.245 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1 ZINC000019638119 558947559 /nfs/dbraw/zinc/94/75/59/558947559.db2.gz YXAJQJMVPRELMH-GOSISDBHSA-N 0 0 404.304 4.369 50 30 HIEARN CC(C)c1nnc(S[C@H](C)C(=O)Nc2sccc2C#N)n1Cc1ccco1 ZINC000022133461 558994513 /nfs/dbraw/zinc/99/45/13/558994513.db2.gz UYKILXGGSHYLCC-GFCCVEGCSA-N 0 0 401.517 4.095 50 30 HIEARN FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(I)C(F)(F)F ZINC000079741481 559018497 /nfs/dbraw/zinc/01/84/97/559018497.db2.gz WXGLHUFWWLOFCN-RXMQYKEDSA-N 0 0 411.936 4.414 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(F)cc1 ZINC000004736240 559035356 /nfs/dbraw/zinc/03/53/56/559035356.db2.gz YJVFNOBTPQIAIS-GFCCVEGCSA-N 0 0 403.508 4.154 50 30 HIEARN Cc1c(C#N)c(NC(=O)/C=C\c2ccc(Br)cc2)sc1C(=O)N(C)C ZINC000033332719 559063250 /nfs/dbraw/zinc/06/32/50/559063250.db2.gz XQOVZDYHRZDZCP-TWGQIWQCSA-N 0 0 418.316 4.044 50 30 HIEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=NN=c1[nH]c2ccccc2[nH]1 ZINC000101670166 559147655 /nfs/dbraw/zinc/14/76/55/559147655.db2.gz FPFMPNWZVPLHJS-XHPQRKPJSA-N 0 0 401.470 4.320 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000100418403 559199289 /nfs/dbraw/zinc/19/92/89/559199289.db2.gz JROXTAZDTVBLCH-JTQLQIEISA-N 0 0 414.811 4.077 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000004919310 559204696 /nfs/dbraw/zinc/20/46/96/559204696.db2.gz VIDAJWHJCDKWMS-NFBKMPQASA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1OC ZINC000004919287 559204700 /nfs/dbraw/zinc/20/47/00/559204700.db2.gz FFSVXIKTDLQMPE-DENIHFKCSA-N 0 0 410.466 4.032 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000004996895 559226053 /nfs/dbraw/zinc/22/60/53/559226053.db2.gz UUNZZQDVXLRECN-MAVBTGMRSA-N 0 0 411.527 4.292 50 30 HIEARN O=C1CSC(=S)N1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000005013249 559228174 /nfs/dbraw/zinc/22/81/74/559228174.db2.gz ONGJMECGJVPBCM-UFFVCSGVSA-N 0 0 412.927 4.387 50 30 HIEARN CCCCCCCCCn1c(N=NC(C)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000100668472 559251370 /nfs/dbraw/zinc/25/13/70/559251370.db2.gz GWTVBMSVVMESFX-YZSQISJMSA-N 0 0 424.549 4.010 50 30 HIEARN C=CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000100703297 559258424 /nfs/dbraw/zinc/25/84/24/559258424.db2.gz IZISIBRTPMENNE-ATJXCDBQSA-N 0 0 408.508 4.198 50 30 HIEARN C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)nc1C ZINC000011917047 559268297 /nfs/dbraw/zinc/26/82/97/559268297.db2.gz WCSOXAGWUSCKRO-UHFFFAOYSA-N 0 0 401.419 4.149 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000019760616 559286687 /nfs/dbraw/zinc/28/66/87/559286687.db2.gz XQSTWVIBYHXLDF-OXQOHEQNSA-N 0 0 401.890 4.030 50 30 HIEARN CCOc1c(Cl)cc(C(=O)C=C2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000005203838 560538353 /nfs/dbraw/zinc/53/83/53/560538353.db2.gz KEKNTHXKSVRQKA-ATVHPVEESA-N 0 0 417.889 4.134 50 30 HIEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccc(Br)cc2)S1)c1ccccc1 ZINC000005214329 560542783 /nfs/dbraw/zinc/54/27/83/560542783.db2.gz TZBFKCQJZQMBGZ-SVZNOHIVSA-N 0 0 402.317 4.003 50 30 HIEARN COc1cc2c(cc1OC)CCN(C)C(C(=O)c1cccc(NC(=O)CC(C)C)c1)=C2 ZINC000062001631 560565902 /nfs/dbraw/zinc/56/59/02/560565902.db2.gz LKCVLTYAEJKWHV-UHFFFAOYSA-N 0 0 422.525 4.400 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c3nc(-c4cccs4)nn3cnc1O2 ZINC000005346217 560570251 /nfs/dbraw/zinc/57/02/51/560570251.db2.gz UDSHRECAOTXNDH-QGZVFWFLSA-N 0 0 400.463 4.384 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccccc1 ZINC000002623761 560586124 /nfs/dbraw/zinc/58/61/24/560586124.db2.gz NGUOYCVHLCCEBS-UHFFFAOYSA-N 0 0 409.902 4.387 50 30 HIEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)C=C1NCCc2cc3c(cc21)OCO3 ZINC000005429352 560586537 /nfs/dbraw/zinc/58/65/37/560586537.db2.gz XNPLXHJDMLCGMR-RCEBRVLHSA-N 0 0 406.265 4.245 50 30 HIEARN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000005476054 560594384 /nfs/dbraw/zinc/59/43/84/560594384.db2.gz RKEZFODSGRDFCU-UHFFFAOYSA-N 0 0 415.287 4.226 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc2sc(C)c(C)c2c1=O ZINC000005212678 560625306 /nfs/dbraw/zinc/62/53/06/560625306.db2.gz QUSRVYAKTFVPAZ-HEHGZKQESA-N 0 0 419.616 4.294 50 30 HIEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccn2)c1 ZINC000005590253 560627254 /nfs/dbraw/zinc/62/72/54/560627254.db2.gz INRMUZSHRGJWHK-QFIPXVFZSA-N 0 0 402.498 4.028 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 ZINC000009327744 560758539 /nfs/dbraw/zinc/75/85/39/560758539.db2.gz CCGAPELLLUTCAR-LBPRGKRZSA-N 0 0 411.512 4.453 50 30 HIEARN COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N ZINC000005675517 560775611 /nfs/dbraw/zinc/77/56/11/560775611.db2.gz RBECVXSNOJDIGY-BOPFTXTBSA-N 0 0 400.843 4.492 50 30 HIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccco3)C1)[C@H]2c1cccnc1 ZINC000018199755 560783861 /nfs/dbraw/zinc/78/38/61/560783861.db2.gz CWDCOANPEPCYPJ-IIBYNOLFSA-N 0 0 424.460 4.112 50 30 HIEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=NN=c1[nH]c2ccccc2[nH]1 ZINC000018266314 560785742 /nfs/dbraw/zinc/78/57/42/560785742.db2.gz FPFMPNWZVPLHJS-LGUFXXKBSA-N 0 0 401.470 4.320 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC ZINC000101284986 560790625 /nfs/dbraw/zinc/79/06/25/560790625.db2.gz SEQDETOZKMGUJH-LJQANCHMSA-N 0 0 414.506 4.098 50 30 HIEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294413 560791071 /nfs/dbraw/zinc/79/10/71/560791071.db2.gz VDIQEHSIIDPWCC-JBCNATCCSA-N 0 0 416.433 4.174 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(C)c(C)c1)NC[C@@H]1CCCO1 ZINC000046129791 560794674 /nfs/dbraw/zinc/79/46/74/560794674.db2.gz QFTODPLUMLJZPW-SFHVURJKSA-N 0 0 415.921 4.342 50 30 HIEARN O=CN(/C=C1\Sc2ccccc2C1=O)c1ccc(I)cc1 ZINC000101520699 560796910 /nfs/dbraw/zinc/79/69/10/560796910.db2.gz SNHGBYDVLGWBTD-DHDCSXOGSA-N 0 0 407.232 4.084 50 30 HIEARN O=C1CCC(=O)N1SC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F ZINC000102038809 560807462 /nfs/dbraw/zinc/80/74/62/560807462.db2.gz YNQUWFFGBBKXLC-UHFFFAOYSA-N 0 0 411.192 4.360 50 30 HIEARN O=C1CN2C(=C1c1nc(-c3ccc(F)cc3)cs1)NC(=O)c1ccc(Cl)cc12 ZINC000102164408 560808765 /nfs/dbraw/zinc/80/87/65/560808765.db2.gz FCWFXVRGENUCEA-UHFFFAOYSA-N 0 0 411.845 4.104 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102501359 560812523 /nfs/dbraw/zinc/81/25/23/560812523.db2.gz NTSHDPRDRHVPPD-MRJHHRETSA-N 0 0 403.434 4.219 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 ZINC000102542900 560814542 /nfs/dbraw/zinc/81/45/42/560814542.db2.gz YBKKFCWXAVTFAN-JBCNATCCSA-N 0 0 418.449 4.085 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102510496 560815167 /nfs/dbraw/zinc/81/51/67/560815167.db2.gz DQOGWNUYDDCLBS-JBCNATCCSA-N 0 0 402.450 4.480 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000102514945 560815513 /nfs/dbraw/zinc/81/55/13/560815513.db2.gz DAGRGPBEWAERFV-SQUHQTGPSA-N 0 0 403.887 4.002 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000102645764 560819816 /nfs/dbraw/zinc/81/98/16/560819816.db2.gz DAGRGPBEWAERFV-NLWPQFNZSA-N 0 0 403.887 4.002 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)c1 ZINC000102804704 560826998 /nfs/dbraw/zinc/82/69/98/560826998.db2.gz GKKREJHSXNXINH-JBCNATCCSA-N 0 0 400.434 4.025 50 30 HIEARN CCN=C(Nc1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000102845406 560829930 /nfs/dbraw/zinc/82/99/30/560829930.db2.gz GRQLQCMTHXYJIV-QGZVFWFLSA-N 0 0 417.918 4.011 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000102861953 560832045 /nfs/dbraw/zinc/83/20/45/560832045.db2.gz LMXMEZMBNVWMQZ-NLWPQFNZSA-N 0 0 403.887 4.002 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(F)c2)cc1 ZINC000102876787 560833322 /nfs/dbraw/zinc/83/33/22/560833322.db2.gz LPPAWBSGQKRXBI-NHFXJNLRSA-N 0 0 407.397 4.049 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(O)c2)sc1C ZINC000102929068 560834731 /nfs/dbraw/zinc/83/47/31/560834731.db2.gz NEEXVPYDMJVQJA-IBOXJLQUSA-N 0 0 412.492 4.153 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102928896 560834740 /nfs/dbraw/zinc/83/47/40/560834740.db2.gz QWIYDMQGHKVWSF-MRJHHRETSA-N 0 0 400.434 4.025 50 30 HIEARN CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccccc3Br)[C@@]21C#N ZINC000103021014 560836844 /nfs/dbraw/zinc/83/68/44/560836844.db2.gz PNKOJZWIWPTZQO-KBMXLJTQSA-N 0 0 421.389 4.097 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000104134770 560848494 /nfs/dbraw/zinc/84/84/94/560848494.db2.gz PYJWPROGNOWYIL-MOBKVPTQSA-N 0 0 401.437 4.490 50 30 HIEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nncs2)cc1 ZINC000104187106 560849266 /nfs/dbraw/zinc/84/92/66/560849266.db2.gz LYFKVDWSUUBYPB-GHNGSUTGSA-N 0 0 419.506 4.462 50 30 HIEARN COc1ccccc1/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003168788 560893310 /nfs/dbraw/zinc/89/33/10/560893310.db2.gz TWCDSZWOKCAVJY-LPYMAVHISA-N 0 0 421.365 4.481 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(F)c(F)c2)NCc2ccccn2)cc1 ZINC000046125230 568428418 /nfs/dbraw/zinc/42/84/18/568428418.db2.gz 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COc1ccc([C@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000048342352 568440523 /nfs/dbraw/zinc/44/05/23/568440523.db2.gz CCJCQDZWVOJMQP-XZOQPEGZSA-N 0 0 400.434 4.111 50 30 HIEARN N#Cc1cccc(NC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)c1 ZINC000049006711 568444888 /nfs/dbraw/zinc/44/48/88/568444888.db2.gz VQTRPCQIWSRTHJ-UHFFFAOYSA-N 0 0 409.902 4.345 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)cc1 ZINC000049006719 568444938 /nfs/dbraw/zinc/44/49/38/568444938.db2.gz NCQZLXTWHNWBCX-UHFFFAOYSA-N 0 0 409.902 4.345 50 30 HIEARN CCOC(=O)c1cc(C#N)c(SCc2noc(-c3ccc(Cl)cc3)n2)nc1C ZINC000024765909 568461550 /nfs/dbraw/zinc/46/15/50/568461550.db2.gz YYEHFAKHFOPMDA-UHFFFAOYSA-N 0 0 414.874 4.434 50 30 HIEARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1OC ZINC000012323403 568471424 /nfs/dbraw/zinc/47/14/24/568471424.db2.gz CPKRKWKPOREKEX-BBATYDOGSA-N 0 0 424.482 4.128 50 30 HIEARN COc1cc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000012347087 568494769 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Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)o2)cc1 ZINC000012418244 568718706 /nfs/dbraw/zinc/71/87/06/568718706.db2.gz XIHRDBZVHHLCRL-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN Cc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccccc4Cl)CC3)o2)c1 ZINC000012418344 568718714 /nfs/dbraw/zinc/71/87/14/568718714.db2.gz MVJMKQUIMYGXPO-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN Cc1cccc(C(=O)N2CCN(c3oc(-c4ccc(Cl)cc4)nc3C#N)CC2)c1 ZINC000012418273 568718761 /nfs/dbraw/zinc/71/87/61/568718761.db2.gz TVOWKFSSSQIGSJ-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1 ZINC000012421039 568720789 /nfs/dbraw/zinc/72/07/89/568720789.db2.gz FKTMEAHCZALYAU-UHFFFAOYSA-N 0 0 424.526 4.164 50 30 HIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1OC ZINC000000884530 568738498 /nfs/dbraw/zinc/73/84/98/568738498.db2.gz BNLFMOABZMINGT-COPMAWBXSA-N 0 0 411.527 4.292 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2ccccc2)[C@H]1N(O)C(=O)NC1CCCCC1 ZINC000001055016 568764209 /nfs/dbraw/zinc/76/42/09/568764209.db2.gz QEPCQLXERPXDQQ-UOEVCUDDSA-N 0 0 406.577 4.192 50 30 HIEARN COc1ccc(CN(C)c2cc(C)c(C#N)c3nc4ccccc4n32)c(OC)c1OC ZINC000022239887 568765675 /nfs/dbraw/zinc/76/56/75/568765675.db2.gz VNXJIJNDLFDYKL-UHFFFAOYSA-N 0 0 416.481 4.330 50 30 HIEARN N#Cc1c(NC(=S)NC(=O)c2cccc(Br)c2)sc2c1CCCC2 ZINC000001095458 568769509 /nfs/dbraw/zinc/76/95/09/568769509.db2.gz XNDXVXPOGHWJAK-UHFFFAOYSA-N 0 0 420.357 4.388 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000002617651 568786140 /nfs/dbraw/zinc/78/61/40/568786140.db2.gz SLEXJLXPZOXZKZ-QFIPXVFZSA-N 0 0 405.527 4.081 50 30 HIEARN COCCn1c(SCc2ccc(C#N)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000002633870 568791502 /nfs/dbraw/zinc/79/15/02/568791502.db2.gz ONODZOSIMQIHNG-UHFFFAOYSA-N 0 0 411.552 4.147 50 30 HIEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NCCc1ccccc1 ZINC000002634404 568791659 /nfs/dbraw/zinc/79/16/59/568791659.db2.gz BEANLUVCQFBPOK-UHFFFAOYSA-N 0 0 416.502 4.225 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1occc1C ZINC000002636846 568792471 /nfs/dbraw/zinc/79/24/71/568792471.db2.gz PQBRGLBURLKIQH-GOSISDBHSA-N 0 0 408.527 4.318 50 30 HIEARN CCOC(=O)COc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OCC ZINC000002748727 568806421 /nfs/dbraw/zinc/80/64/21/568806421.db2.gz CFIXWGAAXGABHT-UHFFFAOYSA-N 0 0 414.841 4.143 50 30 HIEARN CCOc1ccc(OCc2ccc(/C=N/n3c(SC)nnc3C(F)F)o2)cc1 ZINC000002790911 568809575 /nfs/dbraw/zinc/80/95/75/568809575.db2.gz YBUWMKVGXNONNE-UFFVCSGVSA-N 0 0 408.430 4.391 50 30 HIEARN COc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)oc3C)CC2)c1 ZINC000082051509 568819075 /nfs/dbraw/zinc/81/90/75/568819075.db2.gz VPBGSMIQZIBQPY-UHFFFAOYSA-N 0 0 420.513 4.330 50 30 HIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005868819 568827182 /nfs/dbraw/zinc/82/71/82/568827182.db2.gz STSHDNCIXSKQNE-INIZCTEOSA-N 0 0 410.543 4.258 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000005887497 568827954 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CCOc1ccc(/N=C2/S[C@H](C(=O)Nc3cccc(Cl)c3)CC(=O)N2C)cc1 ZINC000057999369 568873597 /nfs/dbraw/zinc/87/35/97/568873597.db2.gz ZECVLFSFNCSXGV-OLRQPGBRSA-N 0 0 417.918 4.329 50 30 HIEARN C=CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc2sc3c(c2c1=O)CCC3 ZINC000003318807 568879928 /nfs/dbraw/zinc/87/99/28/568879928.db2.gz VAEPUJAIKDCURN-ZIAGYGMSSA-N 0 0 417.600 4.014 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2scc(-c3ccco3)c2c1=O ZINC000003416828 568899238 /nfs/dbraw/zinc/89/92/38/568899238.db2.gz UOBYMAFESCUMBQ-ZDUSSCGKSA-N 0 0 417.556 4.157 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1 ZINC000217621169 568899261 /nfs/dbraw/zinc/89/92/61/568899261.db2.gz LAKPENBSUOFOJZ-VFAFIFLJSA-N 0 0 414.413 4.458 50 30 HIEARN N#Cc1ccccc1N1CCCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000058275094 568907770 /nfs/dbraw/zinc/90/77/70/568907770.db2.gz BKTNUNHCVGUIKD-UHFFFAOYSA-N 0 0 423.314 4.155 50 30 HIEARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1/N=C/c1ccccc1O ZINC000001249739 568908610 /nfs/dbraw/zinc/90/86/10/568908610.db2.gz DQLKWTRVVKIMSQ-VULFUBBASA-N 0 0 422.448 4.007 50 30 HIEARN CC(C)c1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)n2)cc1 ZINC000012695576 568916212 /nfs/dbraw/zinc/91/62/12/568916212.db2.gz NCYJNOVKVWFQJO-AWEZNQCLSA-N 0 0 420.542 4.160 50 30 HIEARN CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(Cl)cc2)[C@H]1O ZINC000003821976 568926926 /nfs/dbraw/zinc/92/69/26/568926926.db2.gz SMIKIPXIDLITMP-LEWJYISDSA-N 0 0 408.889 4.215 50 30 HIEARN C#Cc1cccc(N(CC(=O)NC)C(=O)CSc2cccc3cccc(Cl)c32)c1 ZINC000058265033 568928179 /nfs/dbraw/zinc/92/81/79/568928179.db2.gz FRXXZWCZYGHLAG-UHFFFAOYSA-N 0 0 422.937 4.346 50 30 HIEARN C[C@@H](c1nnc(Sc2ncccc2C#N)n1-c1ccc(F)cc1)N1CCCCC1 ZINC000012742547 568929366 /nfs/dbraw/zinc/92/93/66/568929366.db2.gz ZYOOYEANQJKUOP-HNNXBMFYSA-N 0 0 408.506 4.371 50 30 HIEARN COc1cc(OC)cc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)c(C)c2)c1 ZINC000046125536 568930810 /nfs/dbraw/zinc/93/08/10/568930810.db2.gz NHUKQYNWGCIMJU-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000046131408 568931094 /nfs/dbraw/zinc/93/10/94/568931094.db2.gz ZAZQNYOZLQIITC-GOSISDBHSA-N 0 0 415.921 4.288 50 30 HIEARN COc1ccc(-n2c3nc4ccccc4nc3c(C#N)c2NC(=O)c2ccco2)cc1 ZINC000004082960 568939305 /nfs/dbraw/zinc/93/93/05/568939305.db2.gz NVEWRZOTEWLEOS-UHFFFAOYSA-N 0 0 409.405 4.299 50 30 HIEARN CCOc1ccccc1[C@H]1CC(=O)N(N(C)C)C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000001429779 568939681 /nfs/dbraw/zinc/93/96/81/568939681.db2.gz KONOUAZLPLFOKH-UYAOXDASSA-N 0 0 404.510 4.279 50 30 HIEARN O=C1CCCC2=Nc3nc(-c4ccco4)nn3[C@@H](c3ccc(Br)cc3)C12 ZINC000004180803 568949483 /nfs/dbraw/zinc/94/94/83/568949483.db2.gz UWTNBHSSXNKXNT-KRWDZBQOSA-N 0 0 411.259 4.323 50 30 HIEARN CC(C)CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000032254270 568951491 /nfs/dbraw/zinc/95/14/91/568951491.db2.gz PLVSPWVHLBFPNO-LJQANCHMSA-N 0 0 421.566 4.334 50 30 HIEARN N#CC1(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n32)CCCCC1 ZINC000004292664 568959755 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HIEARN C=CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nnc1-c1cccnc1 ZINC000009026955 568985951 /nfs/dbraw/zinc/98/59/51/568985951.db2.gz YRCZBLBYWLLVGW-UHFFFAOYSA-N 0 0 422.539 4.175 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)NC1=S ZINC000009260143 568986226 /nfs/dbraw/zinc/98/62/26/568986226.db2.gz ZIOSTZATYYMAIS-GXDHUFHOSA-N 0 0 420.968 4.365 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1O ZINC000009615061 568987102 /nfs/dbraw/zinc/98/71/02/568987102.db2.gz UFCMASOQKFNXOJ-UHFFFAOYSA-N 0 0 414.918 4.145 50 30 HIEARN C=CCOc1cccc(C(=O)NC[C@@H]2Cc3cc(-c4ncccc4C)ccc3O2)c1 ZINC000012218763 568994312 /nfs/dbraw/zinc/99/43/12/568994312.db2.gz UULBDZXEWIJYMQ-QFIPXVFZSA-N 0 0 400.478 4.355 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 ZINC000012343883 568994496 /nfs/dbraw/zinc/99/44/96/568994496.db2.gz FNWGVZWIROZCMH-FXBPSFAMSA-N 0 0 405.523 4.044 50 30 HIEARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000008389014 568996622 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C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1C ZINC000001115543 569006387 /nfs/dbraw/zinc/00/63/87/569006387.db2.gz ARERCEVZHJCFSL-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1C ZINC000002341174 569007252 /nfs/dbraw/zinc/00/72/52/569007252.db2.gz JQDRTNRNBVVXBE-UHFFFAOYSA-N 0 0 400.454 4.449 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br ZINC000019772389 569007911 /nfs/dbraw/zinc/00/79/11/569007911.db2.gz CBCXVEXTXYUCBS-KRWDZBQOSA-N 0 0 404.304 4.226 50 30 HIEARN C=CCNc1nnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 ZINC000012883206 569019168 /nfs/dbraw/zinc/01/91/68/569019168.db2.gz CIMTXXGGLPXJNI-UHFFFAOYSA-N 0 0 410.568 4.476 50 30 HIEARN N#Cc1ccccc1CSCCNC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000012916023 569022552 /nfs/dbraw/zinc/02/25/52/569022552.db2.gz CJLASRDNQFVPEI-UHFFFAOYSA-N 0 0 411.508 4.128 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)sc2C1 ZINC000016047954 569028410 /nfs/dbraw/zinc/02/84/10/569028410.db2.gz WOCQXZUMZKKUTJ-LBPRGKRZSA-N 0 0 422.959 4.200 50 30 HIEARN Cc1n[nH]c(C)c1Sc1ccccc1/N=C1\C(=O)Nc2c1cc([N+](=O)[O-])cc2C ZINC000006194046 569031265 /nfs/dbraw/zinc/03/12/65/569031265.db2.gz NYVRGTMEQOFOLP-UHFFFAOYSA-N 0 0 407.455 4.467 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006263270 569035974 /nfs/dbraw/zinc/03/59/74/569035974.db2.gz FTKMHSZGGQWSMI-OAQYLSRUSA-N 0 0 409.482 4.043 50 30 HIEARN CCCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](CC)C2 ZINC000006400211 569046723 /nfs/dbraw/zinc/04/67/23/569046723.db2.gz MDRZPQXKMKHPKH-ZDUSSCGKSA-N 0 0 403.577 4.175 50 30 HIEARN CCCCC1CCC(c2nc(C#N)c(N3CCN(Cc4nonc4C)CC3)o2)CC1 ZINC000035671047 569048412 /nfs/dbraw/zinc/04/84/12/569048412.db2.gz XSQGAKVKFCWNDS-UHFFFAOYSA-N 0 0 412.538 4.024 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1ccc3c(c1)OCCCO3)CCCC2 ZINC000006436774 569050584 /nfs/dbraw/zinc/05/05/84/569050584.db2.gz FUEPUDVVPJVJKL-UHFFFAOYSA-N 0 0 400.525 4.391 50 30 HIEARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)CC)c1)C(=O)Nc1cccc(C#N)c1 ZINC000035770391 569058255 /nfs/dbraw/zinc/05/82/55/569058255.db2.gz HJNYYMQCMPYOMU-INIZCTEOSA-N 0 0 415.515 4.119 50 30 HIEARN O=c1c(/C=N/Cc2ccc(F)cc2)c(NCc2ccc(F)cc2)nc2ccccn12 ZINC000006476936 569058769 /nfs/dbraw/zinc/05/87/69/569058769.db2.gz PRWBYRPWRLEJIG-CVKSISIWSA-N 0 0 404.420 4.204 50 30 HIEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cc(F)ccc2F)CC1 ZINC000064473731 569063833 /nfs/dbraw/zinc/06/38/33/569063833.db2.gz FTZKXCOBLPHVDC-UHFFFAOYSA-N 0 0 410.399 4.379 50 30 HIEARN COc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1=O ZINC000006602242 569069961 /nfs/dbraw/zinc/06/99/61/569069961.db2.gz PQOFSKHCVPZOBG-FQEVSTJZSA-N 0 0 412.445 4.192 50 30 HIEARN C=C(C)Cn1c(SCC(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 ZINC000006674600 569087215 /nfs/dbraw/zinc/08/72/15/569087215.db2.gz WDRPDAMGIGEMHG-UHFFFAOYSA-N 0 0 417.600 4.064 50 30 HIEARN CCOc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)cc2)C2C(=O)CCCC2=N3)cc1 ZINC000006732491 569103498 /nfs/dbraw/zinc/10/34/98/569103498.db2.gz NUTONXLYUYSFRS-QFIPXVFZSA-N 0 0 416.481 4.374 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1cccc(C)c1 ZINC000006744010 569107281 /nfs/dbraw/zinc/10/72/81/569107281.db2.gz UOTRCJBIKPTTOB-UHFFFAOYSA-N 0 0 408.458 4.282 50 30 HIEARN CC(C)c1nnc2c(SCC(=O)Nc3cccc(C#N)c3)nc3ccccc3n21 ZINC000064949209 569129099 /nfs/dbraw/zinc/12/90/99/569129099.db2.gz IZAOHLIDXVJRCK-UHFFFAOYSA-N 0 0 402.483 4.003 50 30 HIEARN CN(C)c1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1 ZINC000006830323 569143983 /nfs/dbraw/zinc/14/39/83/569143983.db2.gz PZNSKUSYJDKREZ-DAFNUICNSA-N 0 0 409.449 4.350 50 30 HIEARN N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc42)CCC3)cc1Cl ZINC000006886839 569170384 /nfs/dbraw/zinc/17/03/84/569170384.db2.gz UTHPPVKTGYMOJG-UHFFFAOYSA-N 0 0 405.841 4.044 50 30 HIEARN C=C(Cl)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1 ZINC000006904803 569178204 /nfs/dbraw/zinc/17/82/04/569178204.db2.gz QNOANRDGMADBLE-UHFFFAOYSA-N 0 0 410.886 4.339 50 30 HIEARN C=CCc1ccccc1OCCSc1nc(-c2cccc(C)c2)nc2cc(=O)[nH]n21 ZINC000006915693 569182261 /nfs/dbraw/zinc/18/22/61/569182261.db2.gz CCNVPJQZGNJXRB-UHFFFAOYSA-N 0 0 418.522 4.293 50 30 HIEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C)nc4ncnn43)sc2C1 ZINC000036619130 569210532 /nfs/dbraw/zinc/21/05/32/569210532.db2.gz LRMMYUWTTFMMCS-CYBMUJFWSA-N 0 0 408.531 4.159 50 30 HIEARN CC(=O)Nc1ccc(OC[C@H](O)CON=C2c3ccccc3-c3ccccc32)c(C)c1 ZINC000017011399 569271231 /nfs/dbraw/zinc/27/12/31/569271231.db2.gz MDURGJVISKCPIM-IBGZPJMESA-N 0 0 416.477 4.143 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000001481096 569277612 /nfs/dbraw/zinc/27/76/12/569277612.db2.gz JABQEEWIEIJIPT-QFIPXVFZSA-N 0 0 414.461 4.490 50 30 HIEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1OC ZINC000002155560 569290237 /nfs/dbraw/zinc/29/02/37/569290237.db2.gz ORXGMERAYBNKPR-MTJSOVHGSA-N 0 0 406.390 4.441 50 30 biogenic HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1cc(C)cc(C)c1 ZINC000007759927 569307328 /nfs/dbraw/zinc/30/73/28/569307328.db2.gz OPZHELNOLGCUIE-UHFFFAOYSA-N 0 0 407.470 4.199 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccnc4)nc3c1[C@@H]2c1ccccc1 ZINC000002211534 569307530 /nfs/dbraw/zinc/30/75/30/569307530.db2.gz RBXXALBHMDCCMU-LJQANCHMSA-N 0 0 423.476 4.354 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 ZINC000002213277 569308338 /nfs/dbraw/zinc/30/83/38/569308338.db2.gz JSBRSFPMIYEVEP-VLZBMTSBSA-N 0 0 411.527 4.292 50 30 HIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(OC)cc1 ZINC000002213273 569308340 /nfs/dbraw/zinc/30/83/40/569308340.db2.gz JSBRSFPMIYEVEP-ZABCRHKISA-N 0 0 411.527 4.292 50 30 HIEARN O=S(=O)(NN=Cc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000252632254 569313590 /nfs/dbraw/zinc/31/35/90/569313590.db2.gz VRTFFKHQXUZICN-UHFFFAOYSA-N 0 0 408.104 4.068 50 30 HIEARN COc1cc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3cc(C)ccn32)ccc1O ZINC000035616511 569357947 /nfs/dbraw/zinc/35/79/47/569357947.db2.gz TUVBXYRLCKZKSP-ZMOGYAJESA-N 0 0 403.438 4.489 50 30 HIEARN C=CC#CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000048547090 569358656 /nfs/dbraw/zinc/35/86/56/569358656.db2.gz SZFBAVHAKXZMTI-GPEMBNCSSA-N 0 0 410.554 4.371 50 30 HIEARN C=CC#CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000048547089 569358715 /nfs/dbraw/zinc/35/87/15/569358715.db2.gz SZFBAVHAKXZMTI-XDKOGBTOSA-N 0 0 410.554 4.371 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1)[C@H](c1ccc2c(c1)OCO2)CC(=O)O3 ZINC000253398100 569365407 /nfs/dbraw/zinc/36/54/07/569365407.db2.gz BWPYXYUPQKDXOK-SOFYTKRASA-N 0 0 412.397 4.473 50 30 HIEARN O=C1CS/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N1Cc1cccc2ccccc21 ZINC000002329577 569375646 /nfs/dbraw/zinc/37/56/46/569375646.db2.gz TUXUKMFRAIEAAC-OXYYMIMUSA-N 0 0 404.451 4.214 50 30 HIEARN Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1ccc(Br)cc1 ZINC000002349743 569380676 /nfs/dbraw/zinc/38/06/76/569380676.db2.gz CBXQEZKOEJKEHH-GSTIJIFKSA-N 0 0 402.317 4.223 50 30 HIEARN CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1cccc(Br)c1 ZINC000002360939 569386464 /nfs/dbraw/zinc/38/64/64/569386464.db2.gz UZNIJYMXPNLEQL-UHFFFAOYSA-N 0 0 401.307 4.392 50 30 HIEARN CCc1ccc(-c2nc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000012998299 569406201 /nfs/dbraw/zinc/40/62/01/569406201.db2.gz PKFKSHVTXWJZKA-UHFFFAOYSA-N 0 0 416.550 4.202 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012997682 569406390 /nfs/dbraw/zinc/40/63/90/569406390.db2.gz QTRIXGXGKRJZLY-NRFANRHFSA-N 0 0 400.503 4.391 50 30 HIEARN CCCCc1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1 ZINC000013023208 569407433 /nfs/dbraw/zinc/40/74/33/569407433.db2.gz ZIVPIWGSTANJTB-UHFFFAOYSA-N 0 0 401.514 4.031 50 30 HIEARN COc1ccccc1[C@@H](C)NC(=O)Cn1c(=O)oc2ccc(Br)c(C)c21 ZINC000328593665 569415535 /nfs/dbraw/zinc/41/55/35/569415535.db2.gz VNZPELBCBKRHAZ-GFCCVEGCSA-N 0 0 419.275 4.392 50 30 HIEARN C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1[C@H]1COc2ccccc2O1 ZINC000008705731 571103285 /nfs/dbraw/zinc/10/32/85/571103285.db2.gz PAWUZIUQRQBLRQ-LJQANCHMSA-N 0 0 413.474 4.417 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2ccc(Cl)cc2c1=O ZINC000008922434 571158847 /nfs/dbraw/zinc/15/88/47/571158847.db2.gz INVLWWDNPRGBRX-ZDUSSCGKSA-N 0 0 424.913 4.227 50 30 HIEARN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000040090218 571160476 /nfs/dbraw/zinc/16/04/76/571160476.db2.gz ISLXMFQVKLAGHO-NVXWUHKLSA-N 0 0 421.335 4.279 50 30 HIEARN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COc2ccccc2OC)cc1 ZINC000009061063 571217686 /nfs/dbraw/zinc/21/76/86/571217686.db2.gz YOTIZOKJYKIDTL-UHFFFAOYSA-N 0 0 405.454 4.001 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1ccc(OC)cc1 ZINC000009236650 571240201 /nfs/dbraw/zinc/24/02/01/571240201.db2.gz GCIIALJNKATDHK-UHFFFAOYSA-N 0 0 412.490 4.318 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009331425 571248903 /nfs/dbraw/zinc/24/89/03/571248903.db2.gz FFSZPNLDPXEIIJ-HXUWFJFHSA-N 0 0 416.389 4.083 50 30 HIEARN C=CCn1c(SCc2nc3ccccc3o2)nnc1[C@H]1COc2ccccc2O1 ZINC000009336987 571249280 /nfs/dbraw/zinc/24/92/80/571249280.db2.gz PSZCMUUCHASPIH-GOSISDBHSA-N 0 0 406.467 4.410 50 30 HIEARN C=CCn1c(SCc2cc(=O)oc3cc(OC)ccc23)nnc1-c1ccoc1C ZINC000009513129 571264408 /nfs/dbraw/zinc/26/44/08/571264408.db2.gz PYUQABSSZMNFFO-UHFFFAOYSA-N 0 0 409.467 4.440 50 30 HIEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc2cc(C)c3ccccc3n21 ZINC000009730985 571282898 /nfs/dbraw/zinc/28/28/98/571282898.db2.gz DHFGNHOWCJOGNI-UHFFFAOYSA-N 0 0 423.523 4.175 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009763861 571284815 /nfs/dbraw/zinc/28/48/15/571284815.db2.gz UWESTBUBLNQXKA-GOSISDBHSA-N 0 0 406.463 4.243 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCC2 ZINC000003294685 845011154 /nfs/dbraw/zinc/01/11/54/845011154.db2.gz UVWCMLJKFVETHX-BQYQJAHWSA-N 0 0 420.412 4.322 50 30 HIEARN COc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1OCc1ccc(C#N)cc1 ZINC000003412650 845018334 /nfs/dbraw/zinc/01/83/34/845018334.db2.gz FLSYPYCCZDHUAK-MOSHPQCFSA-N 0 0 401.466 4.301 50 30 HIEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000006595122 845212197 /nfs/dbraw/zinc/21/21/97/845212197.db2.gz SSDYLJJSSOACJC-BJMVGYQFSA-N 0 0 416.817 4.008 50 30 HIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccccc2)n1C ZINC000006619200 845214735 /nfs/dbraw/zinc/21/47/35/845214735.db2.gz HIBCLXWJYPRJLD-ZHZULCJRSA-N 0 0 404.539 4.455 50 30 HIEARN COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1Br ZINC000006623589 845216081 /nfs/dbraw/zinc/21/60/81/845216081.db2.gz QLZPTTCGMIJJKF-KRXBUXKQSA-N 0 0 402.288 4.190 50 30 HIEARN N#Cc1ccccc1CSCCNC(=O)/C=C/c1ccc(Br)cc1 ZINC000007649116 845383390 /nfs/dbraw/zinc/38/33/90/845383390.db2.gz MPWUGAADECXBDU-JXMROGBWSA-N 0 0 401.329 4.384 50 30 HIEARN CCOc1ccc(S(=O)(=O)NC(=Nc2ccc(C(C)=O)cc2)c2ccccc2)cc1 ZINC000009097310 845559968 /nfs/dbraw/zinc/55/99/68/845559968.db2.gz KVWGRWPQVAJVQS-UHFFFAOYSA-N 0 0 422.506 4.345 50 30 HIEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c1C ZINC000009315889 845565681 /nfs/dbraw/zinc/56/56/81/845565681.db2.gz MATFREXNICULNL-VOTSOKGWSA-N 0 0 422.275 4.181 50 30 HIEARN O=C(/C=C/c1ccccc1Br)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000009539527 845574167 /nfs/dbraw/zinc/57/41/67/845574167.db2.gz UJZDSMZAMAPORU-FMIVXFBMSA-N 0 0 420.328 4.130 50 30 HIEARN C=CCCC(=O)N(Cc1cccnc1)Cc1ccc(OC)c(OC[C@@H]2CCOC2)c1 ZINC000012157250 845856248 /nfs/dbraw/zinc/85/62/48/845856248.db2.gz HGBIANQRUPUNDD-OAQYLSRUSA-N 0 0 410.514 4.001 50 30 HIEARN COc1ccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000022078701 846528578 /nfs/dbraw/zinc/52/85/78/846528578.db2.gz OPLXUHNEYRPGAC-NHFJDJAPSA-N 0 0 415.537 4.445 50 30 HIEARN COc1ccc(/C=C\C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000033470266 848135802 /nfs/dbraw/zinc/13/58/02/848135802.db2.gz DETHCJRLCIQBRL-XFXZXTDPSA-N 0 0 410.495 4.092 50 30 HIEARN C=C(OC(=O)c1ccccc1)[C@H](COC(=O)c1ccccc1)NCc1ccccc1 ZINC000059383624 851003380 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CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102926046 521234275 /nfs/dbraw/zinc/23/42/75/521234275.db2.gz AONUEEPKICCRQD-JBCNATCCSA-N 0 0 403.434 4.300 50 30 HIEARN CCCCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCCC2 ZINC000020591058 521310169 /nfs/dbraw/zinc/31/01/69/521310169.db2.gz WICZWZYMXDTTFM-UHFFFAOYSA-N 0 0 402.542 4.137 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 ZINC000020647414 521936208 /nfs/dbraw/zinc/93/62/08/521936208.db2.gz PQNULEWZBCSFOT-NNMJQWOPSA-N 0 0 421.493 4.273 50 30 HIEARN CN(C)c1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000012467915 522127128 /nfs/dbraw/zinc/12/71/28/522127128.db2.gz PXAUAIUNTPWNOJ-OAQYLSRUSA-N 0 0 414.513 4.064 50 30 HIEARN CN(C)c1cccc2c(C3=CC(=O)C(=O)c4c3cccc4N(C)C)ccc(N(C)C)c21 ZINC000027546683 522287560 /nfs/dbraw/zinc/28/75/60/522287560.db2.gz DXBSAUHKNPDWMH-UHFFFAOYSA-N 0 0 413.521 4.235 50 30 HIEARN COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)ccc1O 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COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)cc1O ZINC000033321227 525277977 /nfs/dbraw/zinc/27/79/77/525277977.db2.gz VJHVMYJCFDPMKZ-RCDICMHDSA-N 0 0 418.449 4.361 50 30 HIEARN Cc1c(/N=C/c2ccc(C(C)(C)C)cc2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000102457089 525521731 /nfs/dbraw/zinc/52/17/31/525521731.db2.gz WHBRTYXPNICSLA-BUVRLJJBSA-N 0 0 409.486 4.424 50 30 HIEARN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C1=O)cn2C ZINC000028182444 525599722 /nfs/dbraw/zinc/59/97/22/525599722.db2.gz LFPBFMIGOXINTN-FMCGGJTJSA-N 0 0 418.493 4.495 50 30 HIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000031967450 525920685 /nfs/dbraw/zinc/92/06/85/525920685.db2.gz DKQSTJRAXGFPSO-CYBMUJFWSA-N 0 0 400.360 4.169 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102514311 525945066 /nfs/dbraw/zinc/94/50/66/525945066.db2.gz RBOABXIOAVVRMY-HOGKFDNTSA-N 0 0 416.477 4.276 50 30 HIEARN COc1cccc(NC(=NC(=O)c2cc(C)cc(C)c2)NCc2c(C)nn(C)c2C)c1 ZINC000032972553 526135364 /nfs/dbraw/zinc/13/53/64/526135364.db2.gz CYEMDALJZIERIS-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)NCCc1csc(-c2ccc(C)cc2)n1 ZINC000058192348 526275413 /nfs/dbraw/zinc/27/54/13/526275413.db2.gz GSQFOYGZYRNYEG-UHFFFAOYSA-N 0 0 421.570 4.137 50 30 HIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000013012221 526276426 /nfs/dbraw/zinc/27/64/26/526276426.db2.gz FCSXUBJARWWXIH-UHFFFAOYSA-N 0 0 404.518 4.096 50 30 HIEARN Cc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc32)n1-c1ccccc1C ZINC000007778222 526379451 /nfs/dbraw/zinc/37/94/51/526379451.db2.gz YBOHTQYZNTUTPH-UHFFFAOYSA-N 0 0 403.467 4.233 50 30 HIEARN N#CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000007061441 526482469 /nfs/dbraw/zinc/48/24/69/526482469.db2.gz CFVXVTSHLGQUML-UHFFFAOYSA-N 0 0 411.417 4.356 50 30 HIEARN N#Cc1cccc(/C=C2\CN(c3ccccn3)C/C(=C\c3cccc(C#N)c3)C2=O)c1 ZINC000032925449 526696895 /nfs/dbraw/zinc/69/68/95/526696895.db2.gz PJOMHXSLDRRMEY-RNIAWFEPSA-N 0 0 402.457 4.381 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl ZINC000102879500 526953707 /nfs/dbraw/zinc/95/37/07/526953707.db2.gz SVVYSENEWXKLCE-INYZNFKRSA-N 0 0 403.887 4.002 50 30 HIEARN O=C1N/C(=N/c2ccc(O)cc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000035646780 527042076 /nfs/dbraw/zinc/04/20/76/527042076.db2.gz DNQVDOJDDYRZRY-WQRHYEAKSA-N 0 0 407.407 4.452 50 30 HIEARN O=C1c2sccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1ccc(F)cc1 ZINC000020575607 527139375 /nfs/dbraw/zinc/13/93/75/527139375.db2.gz PKAWUDNMGIWOLO-PDGQHHTCSA-N 0 0 414.483 4.373 50 30 HIEARN O=S(=O)(c1cccc(-c2csc(N=NCc3cccs3)n2)c1)N1CCCC1 ZINC000016735016 527283631 /nfs/dbraw/zinc/28/36/31/527283631.db2.gz MKKWOFJQCANBFC-XDHOZWIPSA-N 0 0 418.569 4.102 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000046538573 527326447 /nfs/dbraw/zinc/32/64/47/527326447.db2.gz LOLLZBLUCRYIJK-UHFFFAOYSA-N 0 0 415.518 4.034 50 30 HIEARN O=[N+]([O-])c1ccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000032617905 527345927 /nfs/dbraw/zinc/34/59/27/527345927.db2.gz GVBXPKGHHDRVEP-PLRJNAJWSA-N 0 0 400.482 4.336 50 30 HIEARN O=[N+]([O-])c1cccc(CN=Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c1 ZINC000031829096 527385118 /nfs/dbraw/zinc/38/51/18/527385118.db2.gz IZRPEDICUKHOLW-OYKKKHCWSA-N 0 0 423.436 4.382 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1cccc(C)c1 ZINC000032972559 527628073 /nfs/dbraw/zinc/62/80/73/527628073.db2.gz KZIQJQQHCXUESA-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1 ZINC000000626606 557022874 /nfs/dbraw/zinc/02/28/74/557022874.db2.gz OFYBZKVLSMRMMT-GOSISDBHSA-N 0 0 404.304 4.369 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl ZINC000000634344 557028841 /nfs/dbraw/zinc/02/88/41/557028841.db2.gz HJVJLIKZXOIBIS-OAHLLOKOSA-N 0 0 410.297 4.484 50 30 HIEARN Cc1cccc([C@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000708819 557065278 /nfs/dbraw/zinc/06/52/78/557065278.db2.gz MFCOQDOQWKEJDH-AVRDEDQJSA-N 0 0 409.526 4.321 50 30 biogenic HIEARN Cc1cccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000000708818 557065283 /nfs/dbraw/zinc/06/52/83/557065283.db2.gz MFCOQDOQWKEJDH-PGRDOPGGSA-N 0 0 409.526 4.321 50 30 biogenic HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(C(C)=O)cc1 ZINC000000992457 557135329 /nfs/dbraw/zinc/13/53/29/557135329.db2.gz QHPYMQHVYPHVNG-ZPKJPUMHSA-N 0 0 421.522 4.344 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)cc1 ZINC000001152179 557212048 /nfs/dbraw/zinc/21/20/48/557212048.db2.gz MWBNJMBCCPNSTN-WAIKUNEKSA-N 0 0 421.468 4.369 50 30 HIEARN CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001219238 557247750 /nfs/dbraw/zinc/24/77/50/557247750.db2.gz AAPRCFYIRHJEAD-INIZCTEOSA-N 0 0 406.316 4.103 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001446544 557266498 /nfs/dbraw/zinc/26/64/98/557266498.db2.gz KYNISLDGEBSIKY-NRFANRHFSA-N 0 0 418.424 4.008 50 30 HIEARN COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000001644450 557278496 /nfs/dbraw/zinc/27/84/96/557278496.db2.gz QMBQAUFXKZCNOT-FIFLTTCUSA-N 0 0 414.454 4.034 50 30 biogenic HIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002055403 557302375 /nfs/dbraw/zinc/30/23/75/557302375.db2.gz RXSWFYBWRJQYQZ-IBGZPJMESA-N 0 0 419.905 4.365 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 ZINC000002062023 557304230 /nfs/dbraw/zinc/30/42/30/557304230.db2.gz WCROIFUKTXHWHA-QHCPKHFHSA-N 0 0 421.468 4.416 50 30 HIEARN C[C@@H](CC(=O)O/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002150551 557319555 /nfs/dbraw/zinc/31/95/55/557319555.db2.gz HUXWYNSKHOJRAC-DQAKUKQTSA-N 0 0 400.283 4.123 50 30 HIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)c([N+](=O)[O-])c1 ZINC000004189107 557526810 /nfs/dbraw/zinc/52/68/10/557526810.db2.gz XRRLYOGTZUVJFH-YIILKADPSA-N 0 0 421.453 4.134 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000004333224 557542814 /nfs/dbraw/zinc/54/28/14/557542814.db2.gz IRSYJVGYRIIXJC-NRFANRHFSA-N 0 0 418.424 4.008 50 30 HIEARN CCSc1nc2n(n1)[C@H](c1cccc(OC)c1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436371 557555318 /nfs/dbraw/zinc/55/53/18/557555318.db2.gz NBGJIPGSABEXGL-QGZVFWFLSA-N 0 0 414.531 4.065 50 30 HIEARN CCSc1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436383 557555391 /nfs/dbraw/zinc/55/53/91/557555391.db2.gz RXSFCVHHBAPICT-SFHVURJKSA-N 0 0 414.531 4.065 50 30 HIEARN N#CC(=NNc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 ZINC000004481130 557558597 /nfs/dbraw/zinc/55/85/97/557558597.db2.gz RGILKGMGARDUCH-ZHZULCJRSA-N 0 0 407.065 4.386 50 30 HIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC000004632422 557574605 /nfs/dbraw/zinc/57/46/05/557574605.db2.gz PSOMCSHLGSQJRB-IBGZPJMESA-N 0 0 414.889 4.128 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(F)cc1 ZINC000004699851 557583193 /nfs/dbraw/zinc/58/31/93/557583193.db2.gz XHHPEUJDTBAJFR-JJXNMMKVSA-N 0 0 405.882 4.459 50 30 HIEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 ZINC000004776964 557596972 /nfs/dbraw/zinc/59/69/72/557596972.db2.gz YFHBNZGEOYAYIJ-VFNWGFHPSA-N 0 0 406.873 4.356 50 30 HIEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)ONC(=N)c1cccc(Br)c1 ZINC000004821087 557602871 /nfs/dbraw/zinc/60/28/71/557602871.db2.gz SZSQMISHVOPXQH-UHFFFAOYSA-N 0 0 411.683 4.124 50 30 HIEARN CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004914365 557613399 /nfs/dbraw/zinc/61/33/99/557613399.db2.gz OYTZERAPCULBGO-RTBURBONSA-N 0 0 405.494 4.271 50 30 HIEARN CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc1 ZINC000004914235 557613425 /nfs/dbraw/zinc/61/34/25/557613425.db2.gz GJUBKBKBIFERIF-XLIONFOSSA-N 0 0 405.494 4.271 50 30 HIEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc1 ZINC000004914270 557613428 /nfs/dbraw/zinc/61/34/28/557613428.db2.gz MFVZCQOGOXURSR-OXQOHEQNSA-N 0 0 421.493 4.107 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000004915288 557613754 /nfs/dbraw/zinc/61/37/54/557613754.db2.gz KQVCLBRCIISNSG-NVXWUHKLSA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)c1 ZINC000004916408 557614084 /nfs/dbraw/zinc/61/40/84/557614084.db2.gz YEUYCNSFDGJIQW-CXAGYDPISA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004956991 557617130 /nfs/dbraw/zinc/61/71/30/557617130.db2.gz VETCKUBUTRBATI-XGWCBKCASA-N 0 0 405.454 4.420 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 ZINC000004986699 557621034 /nfs/dbraw/zinc/62/10/34/557621034.db2.gz RAUCGKCPWJOWJA-CXAGYDPISA-N 0 0 411.885 4.362 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931315 557681437 /nfs/dbraw/zinc/68/14/37/557681437.db2.gz BXJNJJCREKDEQP-MLGOLLRUSA-N 0 0 410.543 4.256 50 30 HIEARN CN(C)c1ccc(/C=N/N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000002981244 557777211 /nfs/dbraw/zinc/77/72/11/557777211.db2.gz KOBUWYFAEIRWGH-MSIOFZDNSA-N 0 0 413.525 4.419 50 30 HIEARN COc1cc(/C=C/C(=O)c2ccc(I)cc2)cc(OC)c1OC ZINC000008440170 557789452 /nfs/dbraw/zinc/78/94/52/557789452.db2.gz PMUABFGOTXZDET-RUDMXATFSA-N 0 0 424.234 4.213 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009244010 557832441 /nfs/dbraw/zinc/83/24/41/557832441.db2.gz IGYJZJDFYWTTTN-NRFANRHFSA-N 0 0 418.449 4.473 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccn1 ZINC000019762673 558277189 /nfs/dbraw/zinc/27/71/89/558277189.db2.gz NXXFITCULNRJBV-HOYKHHGWSA-N 0 0 402.494 4.396 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccn1 ZINC000019762670 558277202 /nfs/dbraw/zinc/27/72/02/558277202.db2.gz NXXFITCULNRJBV-UUOWRZLLSA-N 0 0 402.494 4.396 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019770850 558279809 /nfs/dbraw/zinc/27/98/09/558279809.db2.gz PJLLOZUQTPZMMY-XMMPIXPASA-N 0 0 417.505 4.449 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccncc1 ZINC000019830830 558291498 /nfs/dbraw/zinc/29/14/98/558291498.db2.gz BKMFVQKUGFSMRM-JPYJTQIMSA-N 0 0 418.493 4.015 50 30 HIEARN COc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)NC3CCCCC3)cc2)cc1 ZINC000019878935 558300328 /nfs/dbraw/zinc/30/03/28/558300328.db2.gz SUWOJDAZDIKAIC-HZHRSRAPSA-N 0 0 411.527 4.045 50 30 HIEARN O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000020028605 558322806 /nfs/dbraw/zinc/32/28/06/558322806.db2.gz DTTGXMGPWAIOME-CMDGGOBGSA-N 0 0 406.860 4.456 50 30 HIEARN NC(=O)CC1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)C1=O ZINC000020457908 558370968 /nfs/dbraw/zinc/37/09/68/558370968.db2.gz KYHPNLRJHYFOAI-YUCJCZDXSA-N 0 0 408.310 4.001 50 30 HIEARN Fc1nc(F)c(F)c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1F ZINC000020494396 558379707 /nfs/dbraw/zinc/37/97/07/558379707.db2.gz SUKTVOKLUXWLCT-UHFFFAOYSA-N 0 0 414.712 4.032 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 ZINC000012970105 558488562 /nfs/dbraw/zinc/48/85/62/558488562.db2.gz IRUYSMYHMVMAGR-NYHFZMIOSA-N 0 0 415.445 4.382 50 30 HIEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 ZINC000013110893 558515331 /nfs/dbraw/zinc/51/53/31/558515331.db2.gz UEWZJBUREJJDAS-NRFANRHFSA-N 0 0 418.449 4.240 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2ccccc2O)[C@H]1N(O)C(=O)Nc1ccccc1 ZINC000013638819 558555302 /nfs/dbraw/zinc/55/53/02/558555302.db2.gz KFLUGPSBBUTIJA-DORSJAEJSA-N 0 0 416.528 4.088 50 30 HIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H](C)C2)cc1 ZINC000013751672 558589937 /nfs/dbraw/zinc/58/99/37/558589937.db2.gz METFVEQLPDBOOE-DYESRHJHSA-N 0 0 420.538 4.213 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccc(CC)cc1 ZINC000013843755 558597557 /nfs/dbraw/zinc/59/75/57/558597557.db2.gz URABZEBRDVCCIN-CJGMICOPSA-N 0 0 418.565 4.158 50 30 HIEARN COc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)s2)c1 ZINC000004501312 558618866 /nfs/dbraw/zinc/61/88/66/558618866.db2.gz BFGLBGCHLPWMQQ-GFCCVEGCSA-N 0 0 411.512 4.281 50 30 HIEARN COc1cc(CN(C)c2ncc([N+](=O)[O-])cc2C#N)ccc1OCc1ccccc1 ZINC000032808511 558620559 /nfs/dbraw/zinc/62/05/59/558620559.db2.gz CODHHVKKZTVHJP-UHFFFAOYSA-N 0 0 404.426 4.085 50 30 HIEARN CCC(=O)C1=C(c2ccc(C(C)(C)C)cc2)N(C(=O)CC)n2c(CC)nnc2S1 ZINC000004518307 558642196 /nfs/dbraw/zinc/64/21/96/558642196.db2.gz PAIBAKNDBODECR-UHFFFAOYSA-N 0 0 412.559 4.466 50 30 HIEARN N#Cc1ccccc1-c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)o1 ZINC000004544233 558664246 /nfs/dbraw/zinc/66/42/46/558664246.db2.gz PRDQQZJLMNUSFV-BRJLIKDPSA-N 0 0 400.463 4.351 50 30 HIEARN C#Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)c1 ZINC000072281279 558706934 /nfs/dbraw/zinc/70/69/34/558706934.db2.gz CEWDGVSFKOMNCD-QRWLVFNGSA-N 0 0 415.896 4.044 50 30 HIEARN Cc1cc(C)n(/N=c2\sc(-c3ccccc3)cn2[C@@H]2C[C@H]3C=C[C@H]2C3)c(=O)c1C#N ZINC000100384080 558729669 /nfs/dbraw/zinc/72/96/69/558729669.db2.gz CKSAFCUXSDIHET-ULVGXDIZSA-N 0 0 414.534 4.368 50 30 HIEARN COc1cc(/C=N/O)cc(I)c1OCc1ccccc1Cl ZINC000016195834 558778133 /nfs/dbraw/zinc/77/81/33/558778133.db2.gz QDLGTEKHDMGZOD-QGMBQPNBSA-N 0 0 417.630 4.340 50 30 HIEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000016249459 558780906 /nfs/dbraw/zinc/78/09/06/558780906.db2.gz YYGCALZTVUAZRX-AUEPDCJTSA-N 0 0 420.816 4.381 50 30 HIEARN CC(=O)C1=C(C)Nc2sc(C(=O)c3cccc([N+](=O)[O-])c3)c(N)c2[C@H]1c1ccco1 ZINC000016676387 558798762 /nfs/dbraw/zinc/79/87/62/558798762.db2.gz PHIITOSAVAFUIN-INIZCTEOSA-N 0 0 423.450 4.483 50 30 HIEARN CC(=O)C1=C(C)Nc2sc(C(=O)c3cccc([N+](=O)[O-])c3)c(N)c2[C@@H]1c1ccco1 ZINC000016676386 558798790 /nfs/dbraw/zinc/79/87/90/558798790.db2.gz PHIITOSAVAFUIN-MRXNPFEDSA-N 0 0 423.450 4.483 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016700797 558801545 /nfs/dbraw/zinc/80/15/45/558801545.db2.gz JEIARKPWAXJFEA-OAQYLSRUSA-N 0 0 409.482 4.009 50 30 HIEARN N=C(Nc1ccc(Cl)cc1Cl)Nc1nc(CSc2ccccn2)cc(=O)[nH]1 ZINC000018189346 558832840 /nfs/dbraw/zinc/83/28/40/558832840.db2.gz GSGNEBITBQSOPX-UHFFFAOYSA-N 0 0 421.313 4.235 50 30 HIEARN COc1cc(C=NNc2ccc(C)cc2)ccc1OCC(=O)NCCc1ccccc1 ZINC000004646922 558864195 /nfs/dbraw/zinc/86/41/95/558864195.db2.gz LKLCCGZGDNBZBN-WPWMEQJKSA-N 0 0 417.509 4.187 50 30 HIEARN C=CCN(C(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1)c1ccccc1 ZINC000004659877 558873355 /nfs/dbraw/zinc/87/33/55/558873355.db2.gz OWIRVDYTDOCNAH-ZPMCFJSWSA-N 0 0 400.478 4.221 50 30 HIEARN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O ZINC000004677903 558881626 /nfs/dbraw/zinc/88/16/26/558881626.db2.gz FEFYBZBZLUVYIV-UDWIEESQSA-N 0 0 401.447 4.291 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(CC(C)(C)CC3=O)N2c2ccncc2)cc1OC ZINC000004623239 558885816 /nfs/dbraw/zinc/88/58/16/558885816.db2.gz GMXQXSULXZVLQV-KRWDZBQOSA-N 0 0 406.482 4.263 50 30 HIEARN CCCOc1c(Br)cc(C(=O)N(CC#N)c2ccccc2)cc1OC ZINC000057991214 558892562 /nfs/dbraw/zinc/89/25/62/558892562.db2.gz VWBOROLKQVHJGF-UHFFFAOYSA-N 0 0 403.276 4.417 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)NCCc2ccccc2)S/C1=N\c1ccc(C)c(C)c1 ZINC000004682468 558894514 /nfs/dbraw/zinc/89/45/14/558894514.db2.gz LDQLEPPUXQNBJO-ZPKJPUMHSA-N 0 0 409.555 4.004 50 30 HIEARN COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000019536359 558913775 /nfs/dbraw/zinc/91/37/75/558913775.db2.gz FZIITGBSHOPRHZ-HSZRJFAPSA-N 0 0 419.477 4.112 50 30 HIEARN COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000019536362 558913918 /nfs/dbraw/zinc/91/39/18/558913918.db2.gz FZIITGBSHOPRHZ-QHCPKHFHSA-N 0 0 419.477 4.112 50 30 HIEARN COc1cccc2cc([C@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc21 ZINC000097105900 558994059 /nfs/dbraw/zinc/99/40/59/558994059.db2.gz ZTFRILHDUUWEEH-LJQANCHMSA-N 0 0 404.857 4.466 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(F)cc1 ZINC000004736242 559035425 /nfs/dbraw/zinc/03/54/25/559035425.db2.gz CZALCXPXIYXRMF-CYBMUJFWSA-N 0 0 417.535 4.463 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1cccc(F)c1 ZINC000004736322 559035606 /nfs/dbraw/zinc/03/56/06/559035606.db2.gz MYUZDDZQAKPNIE-GFCCVEGCSA-N 0 0 403.508 4.154 50 30 HIEARN COCc1cc(C)nc(N=NCc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1C#N ZINC000004750718 559048930 /nfs/dbraw/zinc/04/89/30/559048930.db2.gz YYIXGBXBSNRWRC-FOKLQQMPSA-N 0 0 405.414 4.331 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccs1 ZINC000008740947 559064643 /nfs/dbraw/zinc/06/46/43/559064643.db2.gz YRUQBFFKIARYOL-IBGZPJMESA-N 0 0 415.511 4.068 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N(O)C(=O)NC1CCCCC1 ZINC000004794982 559066323 /nfs/dbraw/zinc/06/63/23/559066323.db2.gz DQKYBXLLMNAMGT-BGARDKSCSA-N 0 0 412.606 4.254 50 30 HIEARN CCCOc1ccc(/C(C)=N\N=C2\SCC(=O)N2Cc2ccc(OC)cc2)cc1 ZINC000004812320 559069392 /nfs/dbraw/zinc/06/93/92/559069392.db2.gz CSSFJDGUMPDOHB-BETBSNSTSA-N 0 0 411.527 4.340 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1cccc(Cl)c1 ZINC000102406956 559150224 /nfs/dbraw/zinc/15/02/24/559150224.db2.gz QJEMIEVQXUHCDI-LRWZUSMTSA-N 0 0 417.918 4.329 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000102406959 559150270 /nfs/dbraw/zinc/15/02/70/559150270.db2.gz XHFDQQMDVYSVSK-LRWZUSMTSA-N 0 0 417.918 4.329 50 30 HIEARN C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Cl)cc1Cl ZINC000014387191 559165289 /nfs/dbraw/zinc/16/52/89/559165289.db2.gz CYQKPLMTPOCXRH-ZDUSSCGKSA-N 0 0 403.313 4.354 50 30 HIEARN C=CCN(CC=C)C(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000004871032 559194371 /nfs/dbraw/zinc/19/43/71/559194371.db2.gz BKUAFKNETUCSJA-UHFFFAOYSA-N 0 0 416.477 4.268 50 30 HIEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000100344541 559195824 /nfs/dbraw/zinc/19/58/24/559195824.db2.gz VDAQHGQZVJLSQK-MRJHHRETSA-N 0 0 403.409 4.461 50 30 HIEARN CCCCCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CCCC1=N2 ZINC000004879112 559195948 /nfs/dbraw/zinc/19/59/48/559195948.db2.gz YLAIOMXMFXHWKJ-SFHVURJKSA-N 0 0 413.503 4.491 50 30 HIEARN CCC[C@@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000004898294 559199176 /nfs/dbraw/zinc/19/91/76/559199176.db2.gz VCHFDMLVDMNIGJ-JOHJSAGNSA-N 0 0 414.462 4.368 50 30 HIEARN CCC(NCCc1ccc(OC)c(OC)c1)=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100454005 559202844 /nfs/dbraw/zinc/20/28/44/559202844.db2.gz VKTBARCELCTZMR-UHFFFAOYSA-N 0 0 407.510 4.216 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000004919062 559204637 /nfs/dbraw/zinc/20/46/37/559204637.db2.gz JJOXAJBQAZGCHL-WMZHIEFXSA-N 0 0 410.466 4.032 50 30 HIEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2)C1=O ZINC000004936388 559211057 /nfs/dbraw/zinc/21/10/57/559211057.db2.gz XEXLJSHWDUUMJS-MJHJUBQXSA-N 0 0 411.527 4.338 50 30 HIEARN C=CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccncc1 ZINC000005314043 560564367 /nfs/dbraw/zinc/56/43/67/560564367.db2.gz MDTUHLDEQZVOKG-UHFFFAOYSA-N 0 0 400.891 4.243 50 30 HIEARN COc1ccccc1-c1nc2c3c(ncn2n1)OC(C)=C(C(C)=O)[C@H]3c1ccccc1 ZINC000005346248 560570318 /nfs/dbraw/zinc/57/03/18/560570318.db2.gz WOVPTFYJDKPVTL-HXUWFJFHSA-N 0 0 412.449 4.187 50 30 HIEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)o2)c1 ZINC000005408601 560583679 /nfs/dbraw/zinc/58/36/79/560583679.db2.gz SIJDUNLONLPTSA-NRFANRHFSA-N 0 0 418.449 4.160 50 30 HIEARN N#CCCN(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc(F)cc1 ZINC000003360830 560593050 /nfs/dbraw/zinc/59/30/50/560593050.db2.gz KJAPKZRWJPZKGK-UHFFFAOYSA-N 0 0 424.288 4.214 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000005491275 560597526 /nfs/dbraw/zinc/59/75/26/560597526.db2.gz LMXPZIHWAYOCLK-PBHICJAKSA-N 0 0 403.887 4.159 50 30 HIEARN COc1ccc(/C(=N\OC(=O)c2ccco2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000005526812 560605028 /nfs/dbraw/zinc/60/50/28/560605028.db2.gz YSKMMBKDDLGVEC-PQJVWRHUSA-N 0 0 405.406 4.382 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000005625609 560632505 /nfs/dbraw/zinc/63/25/05/560632505.db2.gz RSFYKLYMOGJHHY-QFIPXVFZSA-N 0 0 415.445 4.487 50 30 biogenic HIEARN N#CCCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000008760855 560638383 /nfs/dbraw/zinc/63/83/83/560638383.db2.gz FUUABYSTGNTAEH-UHFFFAOYSA-N 0 0 418.444 4.225 50 30 HIEARN CCOc1cc(Cl)cc(C=Nc2ccc(NC(=S)NC(=O)CC)cc2)c1O ZINC000009553655 560759445 /nfs/dbraw/zinc/75/94/45/560759445.db2.gz MBHSVDLPIKWATR-SRZZPIQSSA-N 0 0 405.907 4.418 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000018056831 560774194 /nfs/dbraw/zinc/77/41/94/560774194.db2.gz LCKPCXIDAWZOIA-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN COc1ccc(/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1Cl ZINC000018093830 560775377 /nfs/dbraw/zinc/77/53/77/560775377.db2.gz OUGWWICIJIJESP-FSJBWODESA-N 0 0 417.918 4.154 50 30 HIEARN N#CC[C@@H](CNC(=O)c1ccccc1Cl)OC(=O)c1cccc(C(F)(F)F)c1 ZINC000005679031 560777709 /nfs/dbraw/zinc/77/77/09/560777709.db2.gz GOAHWRCCWLAPBP-AWEZNQCLSA-N 0 0 410.779 4.228 50 30 HIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nnnn3[C@H](c3c(Cl)cccc3Cl)C12 ZINC000018196288 560782482 /nfs/dbraw/zinc/78/24/82/560782482.db2.gz AOQIILXAEICVTE-HUTHGQBESA-N 0 0 418.309 4.457 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000018210862 560784536 /nfs/dbraw/zinc/78/45/36/560784536.db2.gz PVWXDVYDYAKGIA-GOSISDBHSA-N 0 0 405.841 4.221 50 30 HIEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)cc1 ZINC000102369190 560809863 /nfs/dbraw/zinc/80/98/63/560809863.db2.gz GKFATLNNKCFTPW-MRJHHRETSA-N 0 0 418.449 4.084 50 30 HIEARN CCOc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000102577452 560816819 /nfs/dbraw/zinc/81/68/19/560816819.db2.gz JBCZOOCWUOIERW-FQEVSTJZSA-N 0 0 401.466 4.129 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102804210 560826803 /nfs/dbraw/zinc/82/68/03/560826803.db2.gz ROBHNEYCHKOJPO-MOBKVPTQSA-N 0 0 423.509 4.024 50 30 HIEARN COc1ccc(C=C2CCCC3=C2NC(NC#N)=N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102792652 560827733 /nfs/dbraw/zinc/82/77/33/560827733.db2.gz KFPAWLRUFMXVSU-MTPVXSITSA-N 0 0 400.482 4.296 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102877606 560833368 /nfs/dbraw/zinc/83/33/68/560833368.db2.gz CDQZVYOQDAXVJR-JBCNATCCSA-N 0 0 407.510 4.361 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(O)c2)sc1C ZINC000102929027 560834752 /nfs/dbraw/zinc/83/47/52/560834752.db2.gz YCWSEDMHRDOGMR-SELCWUDQSA-N 0 0 406.463 4.092 50 30 HIEARN Cc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000103387783 560841960 /nfs/dbraw/zinc/84/19/60/560841960.db2.gz JPZOYWVRFLZCIC-DAFNUICNSA-N 0 0 418.474 4.071 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(F)cc1 ZINC000104095142 560848120 /nfs/dbraw/zinc/84/81/20/560848120.db2.gz MXVGDJPJQOROKD-MRJHHRETSA-N 0 0 403.409 4.461 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000104140795 560848796 /nfs/dbraw/zinc/84/87/96/560848796.db2.gz RPXIIBIBFKRSMH-JBCNATCCSA-N 0 0 400.434 4.025 50 30 HIEARN O=c1c(C=[NH+]C[C@@H]2CCCO2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000105715295 560876847 /nfs/dbraw/zinc/87/68/47/560876847.db2.gz WSIPWESFQQVGQE-ZGWJWYQGSA-N 0 0 404.495 4.040 50 30 HIEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(O)cc2)cc1 ZINC000044858669 560897532 /nfs/dbraw/zinc/89/75/32/560897532.db2.gz FLKPLNDSBKZJOB-QFIPXVFZSA-N 0 0 414.465 4.171 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000044859078 560897541 /nfs/dbraw/zinc/89/75/41/560897541.db2.gz RAPGDMOFEOWTIQ-JOCHJYFZSA-N 0 0 414.465 4.166 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccccn2)cc1 ZINC000046125219 568428443 /nfs/dbraw/zinc/42/84/43/568428443.db2.gz FCWJIFXHDMVLQU-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C)c2C)cc1OC ZINC000046126270 568428582 /nfs/dbraw/zinc/42/85/82/568428582.db2.gz QAQCVHUVCAGCFP-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(OC)cc(OC)c2)cc1 ZINC000046126648 568428705 /nfs/dbraw/zinc/42/87/05/568428705.db2.gz DNDAZHPUCLWQKY-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN CCc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(OC)c(OC)c2)cc1 ZINC000046128383 568429041 /nfs/dbraw/zinc/42/90/41/568429041.db2.gz KOMYTTUQNBWNMQ-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)c(Cl)c2)c1 ZINC000046129378 568429138 /nfs/dbraw/zinc/42/91/38/568429138.db2.gz MHUULOJKMMYUOC-GOSISDBHSA-N 0 0 401.894 4.034 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(F)c(F)c2)NC[C@H]2CCCO2)cc1Cl ZINC000046131360 568429401 /nfs/dbraw/zinc/42/94/01/568429401.db2.gz NTDMACRTTVJRSF-CQSZACIVSA-N 0 0 423.847 4.004 50 30 HIEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)c(Cl)c2)cc1 ZINC000046131771 568429519 /nfs/dbraw/zinc/42/95/19/568429519.db2.gz NJIQOIYBBBRBOV-QGZVFWFLSA-N 0 0 403.885 4.418 50 30 HIEARN CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccco3)ccc2C#N)c1 ZINC000012250977 568456229 /nfs/dbraw/zinc/45/62/29/568456229.db2.gz AZHFPQHWRVDBLV-UHFFFAOYSA-N 0 0 407.451 4.121 50 30 HIEARN C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012259798 568456591 /nfs/dbraw/zinc/45/65/91/568456591.db2.gz HMLAWNFGGBKOIK-LLVKDONJSA-N 0 0 403.577 4.424 50 30 HIEARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1OC ZINC000012323405 568471419 /nfs/dbraw/zinc/47/14/19/568471419.db2.gz CPKRKWKPOREKEX-ADLMAVQZSA-N 0 0 424.482 4.128 50 30 HIEARN CC(=O)c1ccc(NC(=O)COc2nc(-c3ccccc3)c3c(c2C#N)CCC3)cc1 ZINC000012324443 568471744 /nfs/dbraw/zinc/47/17/44/568471744.db2.gz YTHYSBLDMSEEDO-UHFFFAOYSA-N 0 0 411.461 4.329 50 30 HIEARN Cc1ccc(C)c2sc(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)nc21 ZINC000024906830 568481379 /nfs/dbraw/zinc/48/13/79/568481379.db2.gz KOYASMLOVHBYTQ-UHFFFAOYSA-N 0 0 404.499 4.016 50 30 HIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3nc4nc(C)cc(C(F)F)n4n3)sc2C1 ZINC000000815221 568490114 /nfs/dbraw/zinc/49/01/14/568490114.db2.gz DCIPGNMYCBPDSH-SNVBAGLBSA-N 0 0 416.457 4.071 50 30 HIEARN COc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)ccc1O ZINC000000814106 568494129 /nfs/dbraw/zinc/49/41/29/568494129.db2.gz GUGXAIGSBZNJAW-QFIPXVFZSA-N 0 0 422.456 4.147 50 30 HIEARN Cc1cc(N2CCC(C(=O)N3CCCCCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000024949951 568498450 /nfs/dbraw/zinc/49/84/50/568498450.db2.gz YHAVLWMXWUNIBJ-UHFFFAOYSA-N 0 0 415.541 4.287 50 30 HIEARN C=CCOc1ccc(CNn2cnnc2SCc2ccccc2F)cc1OCC ZINC000002860980 568509452 /nfs/dbraw/zinc/50/94/52/568509452.db2.gz VNZMIMZWRDMEFJ-UHFFFAOYSA-N 0 0 414.506 4.417 50 30 HIEARN Cc1nn(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000000845139 568538552 /nfs/dbraw/zinc/53/85/52/568538552.db2.gz WAODQXBPWOLQDT-CYBMUJFWSA-N 0 0 415.519 4.131 50 30 HIEARN CC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)[C@@]1(NC(=O)C1CCCCC1)C(F)(F)F ZINC000020367494 568601609 /nfs/dbraw/zinc/60/16/09/568601609.db2.gz KBRPDVYASZCBRC-OAQYLSRUSA-N 0 0 422.447 4.202 50 30 HIEARN COC(=O)c1ccccc1NC(=O)[C@@H](C#N)c1nc(-c2cc(F)ccc2F)cs1 ZINC000095455156 568616675 /nfs/dbraw/zinc/61/66/75/568616675.db2.gz CMEGGMGYPCHBPU-CQSZACIVSA-N 0 0 413.405 4.121 50 30 HIEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(OCCn3nccc3C)cc1)C2 ZINC000095478265 568631442 /nfs/dbraw/zinc/63/14/42/568631442.db2.gz WGCPBRZMTZPTLS-UNOMPAQXSA-N 0 0 404.466 4.110 50 30 HIEARN COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccccc2SCCC#N)CC1=O ZINC000095953582 568668204 /nfs/dbraw/zinc/66/82/04/568668204.db2.gz OOGNDVVYFHAUDF-INIZCTEOSA-N 0 0 409.511 4.001 50 30 HIEARN CCN(CCC#N)C(=O)CNc1c(Br)cc(Cl)cc1Br ZINC000225828165 568678528 /nfs/dbraw/zinc/67/85/28/568678528.db2.gz XUSSCRBBYNYCTP-UHFFFAOYSA-N 0 0 423.536 4.039 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000012408425 568712441 /nfs/dbraw/zinc/71/24/41/568712441.db2.gz GKFMTDLMGJYULE-VFNWGFHPSA-N 0 0 418.453 4.066 50 30 HIEARN COc1ccc(N=Cc2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1Cl ZINC000245204293 568735747 /nfs/dbraw/zinc/73/57/47/568735747.db2.gz OUGWWICIJIJESP-UHFFFAOYSA-N 0 0 417.918 4.154 50 30 HIEARN COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OC)c1OC ZINC000000953917 568756979 /nfs/dbraw/zinc/75/69/79/568756979.db2.gz AREDPUUMQZEFFF-CFNZNRNTSA-N 0 0 412.511 4.422 50 30 HIEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3F)n2)c1 ZINC000000968851 568758758 /nfs/dbraw/zinc/75/87/58/568758758.db2.gz OGUJNXBVXMXVHU-UHFFFAOYSA-N 0 0 421.497 4.219 50 30 HIEARN COC(=O)c1c2c(sc1NC(=O)CSc1nc(C)cc(C)c1C#N)CCCC2 ZINC000001014146 568762936 /nfs/dbraw/zinc/76/29/36/568762936.db2.gz GHMRSRWLSJNORB-UHFFFAOYSA-N 0 0 415.540 4.028 50 30 HIEARN O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000001060103 568765810 /nfs/dbraw/zinc/76/58/10/568765810.db2.gz SVIRSPJEQHMQSZ-YCIYHOANSA-N 0 0 413.860 4.090 50 30 HIEARN COC(=O)[C@H]1C(=O)C=C(Nc2sc3c(c2C#N)CCCC3)C[C@@H]1c1ccccc1 ZINC000001079980 568767509 /nfs/dbraw/zinc/76/75/09/568767509.db2.gz GIAFOBGYEXCECD-DYESRHJHSA-N 0 0 406.507 4.340 50 30 HIEARN CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3cccc(F)c3)c2C#N)CC1 ZINC000052537253 568769575 /nfs/dbraw/zinc/76/95/75/568769575.db2.gz MKQSZTUREPAJDX-UHFFFAOYSA-N 0 0 410.493 4.367 50 30 HIEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002617049 568785741 /nfs/dbraw/zinc/78/57/41/568785741.db2.gz ONZYHVZJMIGOBQ-UHFFFAOYSA-N 0 0 406.463 4.403 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2OC)c1 ZINC000002620550 568787621 /nfs/dbraw/zinc/78/76/21/568787621.db2.gz MOKBEKBNTGYTJO-UHFFFAOYSA-N 0 0 422.506 4.329 50 30 HIEARN Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c2ccccc2n1 ZINC000002621915 568787996 /nfs/dbraw/zinc/78/79/96/568787996.db2.gz DCMLVBLQTHKDMZ-CYBMUJFWSA-N 0 0 419.506 4.397 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000005988413 568834442 /nfs/dbraw/zinc/83/44/42/568834442.db2.gz SUVUKSVMLGSVJN-NRFANRHFSA-N 0 0 409.482 4.007 50 30 HIEARN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2CC(C)C)cc1 ZINC000006035943 568836228 /nfs/dbraw/zinc/83/62/28/568836228.db2.gz WFZGFWVCGFEGDU-UHFFFAOYSA-N 0 0 421.526 4.212 50 30 HIEARN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2N2CCCCC2)no1 ZINC000012527273 568843601 /nfs/dbraw/zinc/84/36/01/568843601.db2.gz RWRWTTSPRLABMC-HNNXBMFYSA-N 0 0 402.520 4.322 50 30 HIEARN N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1Cl ZINC000012569197 568861386 /nfs/dbraw/zinc/86/13/86/568861386.db2.gz ZBCBQJTWAFTWLR-LBPRGKRZSA-N 0 0 407.779 4.222 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000003237585 568865827 /nfs/dbraw/zinc/86/58/27/568865827.db2.gz FRUPNEMEKBNKPU-UHFFFAOYSA-N 0 0 405.237 4.010 50 30 HIEARN COc1ccc2c(c1)c(C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N)c(C)n2C1CC1 ZINC000025634840 568866669 /nfs/dbraw/zinc/86/66/69/568866669.db2.gz WKHYCIBXLPKAHE-ZDUSSCGKSA-N 0 0 423.494 4.410 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)c3ccccc3OCc3ccccc3)CC2)cc1 ZINC000025638459 568867025 /nfs/dbraw/zinc/86/70/25/568867025.db2.gz PIOJOIKPIHRJJD-UHFFFAOYSA-N 0 0 411.505 4.095 50 30 HIEARN C[C@]1(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)CC1(Cl)Cl ZINC000003257075 568868511 /nfs/dbraw/zinc/86/85/11/568868511.db2.gz ADAJLEITRCFYCX-OAHLLOKOSA-N 0 0 402.372 4.286 50 30 HIEARN N#Cc1ccccc1OCC(=O)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000003310932 568878262 /nfs/dbraw/zinc/87/82/62/568878262.db2.gz PVYYLVZBICFPHL-UHFFFAOYSA-N 0 0 414.284 4.462 50 30 HIEARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003311155 568878342 /nfs/dbraw/zinc/87/83/42/568878342.db2.gz DYRCXZTXARBFKM-UHFFFAOYSA-N 0 0 405.479 4.026 50 30 HIEARN N#Cc1cccc(S(=O)(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000003324472 568880959 /nfs/dbraw/zinc/88/09/59/568880959.db2.gz GLLRRUNQWYLHTO-IBGZPJMESA-N 0 0 407.520 4.211 50 30 HIEARN COc1ccc2c(C)cc(SCc3nc4ccccc4c(=O)n3CC#N)nc2c1 ZINC000012644322 568885495 /nfs/dbraw/zinc/88/54/95/568885495.db2.gz FLGPYQDCNBFEFV-UHFFFAOYSA-N 0 0 402.479 4.078 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)c3ccccc3CCc3ccccc3)CC2)cc1 ZINC000025665280 568907196 /nfs/dbraw/zinc/90/71/96/568907196.db2.gz BUDAJKSMEBSMDY-UHFFFAOYSA-N 0 0 409.533 4.301 50 30 HIEARN N#Cc1cccc(S(=O)(=O)N(CCOc2ccccc2Cl)c2ccccc2)c1 ZINC000012733731 568923943 /nfs/dbraw/zinc/92/39/43/568923943.db2.gz ZJXBNNPCKZEFCI-UHFFFAOYSA-N 0 0 412.898 4.486 50 30 HIEARN COc1ccc([S@](=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2C#N)cc1 ZINC000001404338 568927675 /nfs/dbraw/zinc/92/76/75/568927675.db2.gz SOZOBOQYVDXLMP-GDLZYMKVSA-N 0 0 412.417 4.264 50 30 HIEARN N#Cc1ccc(OCCSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)cc1 ZINC000012741922 568929884 /nfs/dbraw/zinc/92/98/84/568929884.db2.gz JDZNRSKBALHCRA-UHFFFAOYSA-N 0 0 423.885 4.217 50 30 HIEARN CSc1nc(NCCOC(=O)C(C)(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000031773602 568930834 /nfs/dbraw/zinc/93/08/34/568930834.db2.gz DMZKBEASIYKSBS-UHFFFAOYSA-N 0 0 404.923 4.392 50 30 HIEARN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)cc1Cl ZINC000046131345 568931031 /nfs/dbraw/zinc/93/10/31/568931031.db2.gz SZDZSAMBKSOTRK-QGZVFWFLSA-N 0 0 401.894 4.034 50 30 HIEARN Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004065274 568937573 /nfs/dbraw/zinc/93/75/73/568937573.db2.gz PATKKIFXSWUZKN-VXLYETTFSA-N 0 0 400.782 4.097 50 30 HIEARN C#C[C@@](C)(CC)NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1 ZINC000001421931 568938280 /nfs/dbraw/zinc/93/82/80/568938280.db2.gz JKLCUFUXUWAMMM-KRWDZBQOSA-N 0 0 408.861 4.278 50 30 HIEARN CCc1c(C#N)c(SCC(=O)Nc2cccc(OC)c2)nc2c1C(=O)CC(C)(C)C2 ZINC000004167522 568947354 /nfs/dbraw/zinc/94/73/54/568947354.db2.gz GCGUCSBDIOYBAY-UHFFFAOYSA-N 0 0 423.538 4.410 50 30 HIEARN COc1cc([C@@H]2C(C(C)=O)C(C)=Nc3ncnn32)ccc1OCc1ccc(Cl)cc1 ZINC000004199632 568951304 /nfs/dbraw/zinc/95/13/04/568951304.db2.gz HIJNJUMUJMOUEO-OAQYLSRUSA-N 0 0 424.888 4.397 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000004211642 568952155 /nfs/dbraw/zinc/95/21/55/568952155.db2.gz GFTIXLIYVXFNGW-UHFFFAOYSA-N 0 0 420.538 4.236 50 30 HIEARN CC(=O)N(c1cc(C)cc(C)c1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000004281634 568958792 /nfs/dbraw/zinc/95/87/92/568958792.db2.gz OLTJKTWHMCXBKL-UHFFFAOYSA-N 0 0 402.494 4.433 50 30 HIEARN C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000012785470 568959860 /nfs/dbraw/zinc/95/98/60/568959860.db2.gz IEHAVOLZHIPWDQ-OAHLLOKOSA-N 0 0 424.522 4.450 50 30 HIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(O)c2)sc1C ZINC000004311352 568960852 /nfs/dbraw/zinc/96/08/52/568960852.db2.gz JSLAFCGCAMMSDD-GOSISDBHSA-N 0 0 406.463 4.248 50 30 HIEARN C=CCNc1cc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004854949 568964377 /nfs/dbraw/zinc/96/43/77/568964377.db2.gz OIHOYJDVGKRZPC-UHFFFAOYSA-N 0 0 408.502 4.279 50 30 HIEARN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)NC1CCCC1 ZINC000005041445 568964772 /nfs/dbraw/zinc/96/47/72/568964772.db2.gz HAVNHBLLULJCDS-UHFFFAOYSA-N 0 0 414.575 4.317 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[nH]c(=O)c2[C@H]1c1cccs1 ZINC000007991012 568976275 /nfs/dbraw/zinc/97/62/75/568976275.db2.gz WRZFIGASLPIXLQ-HNNXBMFYSA-N 0 0 417.556 4.284 50 30 HIEARN C=CCn1c(NC(=O)COc2cccc(C)c2C)c(C(=O)OCC)sc1=S ZINC000012807251 568980001 /nfs/dbraw/zinc/98/00/01/568980001.db2.gz WYZGQVUUPIRPLN-UHFFFAOYSA-N 0 0 406.529 4.276 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1cccc(OC)c1 ZINC000009479367 568986690 /nfs/dbraw/zinc/98/66/90/568986690.db2.gz OCVICOURNFKDMC-UHFFFAOYSA-N 0 0 424.526 4.269 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nc2ccccc2c1=O ZINC000008282386 568987541 /nfs/dbraw/zinc/98/75/41/568987541.db2.gz JQRLUYHMPWFKRF-CVEARBPZSA-N 0 0 405.523 4.041 50 30 HIEARN C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000008325529 568991571 /nfs/dbraw/zinc/99/15/71/568991571.db2.gz GDLSVYHQWXVJGC-GFCCVEGCSA-N 0 0 416.576 4.110 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2ccsc2c1=O ZINC000012636476 568995846 /nfs/dbraw/zinc/99/58/46/568995846.db2.gz GVNQLVYAUYCRRJ-GBJTYRQASA-N 0 0 405.589 4.066 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2sc(CC)cc2c1=O ZINC000013129412 568998446 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HIEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001142493 569006427 /nfs/dbraw/zinc/00/64/27/569006427.db2.gz IMOLEVBDXKBIPZ-UHFFFAOYSA-N 0 0 423.498 4.387 50 30 HIEARN C=CCOc1cc(Br)c(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC ZINC000002087327 569006851 /nfs/dbraw/zinc/00/68/51/569006851.db2.gz WHVIFNWYHMFMMT-YBEGLDIGSA-N 0 0 414.255 4.367 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1cccnc1 ZINC000002383407 569007168 /nfs/dbraw/zinc/00/71/68/569007168.db2.gz FDNKYOZWQUGNNK-UHFFFAOYSA-N 0 0 422.558 4.103 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000019314741 569009618 /nfs/dbraw/zinc/00/96/18/569009618.db2.gz ZHIJKDDTEPLFKW-KRWDZBQOSA-N 0 0 404.304 4.226 50 30 HIEARN C=CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1[C@@H]1COc2ccccc2O1 ZINC000012876167 569013610 /nfs/dbraw/zinc/01/36/10/569013610.db2.gz XHWJEUDZOHYBMJ-BBRMVZONSA-N 0 0 413.503 4.336 50 30 HIEARN C=CCOc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000019865805 569018574 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HIEARN Cc1sc(=O)n(CC(=O)Nc2ccc(C#N)c(Cl)c2)c1-c1ccc(F)cc1 ZINC000040129209 571180376 /nfs/dbraw/zinc/18/03/76/571180376.db2.gz VHAZQNRBZWRNGJ-UHFFFAOYSA-N 0 0 401.850 4.188 50 30 HIEARN C=CCN1c2cc(NC(=O)CCc3ccc(OC)cc3)ccc2OCC(C)(C)C1=O ZINC000008959545 571183063 /nfs/dbraw/zinc/18/30/63/571183063.db2.gz AAZICTIULHILDV-UHFFFAOYSA-N 0 0 408.498 4.204 50 30 HIEARN Cc1sc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c(C#N)c1C ZINC000040140461 571191739 /nfs/dbraw/zinc/19/17/39/571191739.db2.gz CCXIEOZIOZDVDE-UHFFFAOYSA-N 0 0 410.520 4.463 50 30 HIEARN CC(C)N(C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1)C(=O)OC(C)(C)C ZINC000040152829 571200252 /nfs/dbraw/zinc/20/02/52/571200252.db2.gz DMOKNJGDXMOQEK-MRXNPFEDSA-N 0 0 402.495 4.328 50 30 HIEARN C[C@@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2Cc2ccncc2)o1 ZINC000008990565 571206679 /nfs/dbraw/zinc/20/66/79/571206679.db2.gz XVAFXYFJCVMTQN-RZXISHGBSA-N 0 0 420.490 4.226 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3Cl)C2)cc1 ZINC000009088378 571220038 /nfs/dbraw/zinc/22/00/38/571220038.db2.gz HPLNFGDLASHBJG-SPLOXXLWSA-N 0 0 406.873 4.356 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000009108560 571222162 /nfs/dbraw/zinc/22/21/62/571222162.db2.gz DOYPQUVEUMDIHR-NRFANRHFSA-N 0 0 401.418 4.184 50 30 HIEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)ccc1O ZINC000009110727 571222741 /nfs/dbraw/zinc/22/27/41/571222741.db2.gz PFPANEZRZRTWNI-OAQYLSRUSA-N 0 0 401.418 4.184 50 30 HIEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc([N+](=O)[O-])c2)C3=O)c1 ZINC000009215567 571237243 /nfs/dbraw/zinc/23/72/43/571237243.db2.gz VTIUPAYWAXRWNI-NHDPSOOVSA-N 0 0 417.373 4.439 50 30 HIEARN O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1ccncc1 ZINC000009234686 571240052 /nfs/dbraw/zinc/24/00/52/571240052.db2.gz JRQDHSAHDPYQFA-ODLFYWEKSA-N 0 0 413.838 4.119 50 30 HIEARN N#Cc1ccsc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 ZINC000009257594 571243705 /nfs/dbraw/zinc/24/37/05/571243705.db2.gz 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CN(C)S(=O)(=O)c1ccc(-c2csc(N=NCc3ccc(Cl)cc3)n2)cc1 ZINC000013553021 571304601 /nfs/dbraw/zinc/30/46/01/571304601.db2.gz NCIQTVJHUGLEHJ-RGVLZGJSSA-N 0 0 420.947 4.160 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccc(OC)c3)C2)[C@H]1c1cccnc1 ZINC000001125060 845003081 /nfs/dbraw/zinc/00/30/81/845003081.db2.gz OBTNTHRXPITLHO-MBSDFSHPSA-N 0 0 418.493 4.015 50 30 HIEARN CSC(=Nc1ccc(Br)cc1F)NS(=O)(=O)c1cccs1 ZINC000006131637 845176803 /nfs/dbraw/zinc/17/68/03/845176803.db2.gz JJTHFOQZYMDMGA-UHFFFAOYSA-N 0 0 409.327 4.170 50 30 HIEARN CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCCC3)ccc1OCC(=O)N(C)C ZINC000016404806 846166697 /nfs/dbraw/zinc/16/66/97/846166697.db2.gz LLVBNTSCNKDLIA-UKTHLTGXSA-N 0 0 407.510 4.327 50 30 HIEARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000035684764 848145572 /nfs/dbraw/zinc/14/55/72/848145572.db2.gz RZHKMSDRPNNJMJ-JYRVWZFOSA-N 0 0 414.483 4.056 50 30 HIEARN C#CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000096002013 852547727 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CCOC(=O)c1ccc(N2Cc3ccccc3/C2=N/S(=O)(=O)c2ccccc2)cc1 ZINC000105891629 852736869 /nfs/dbraw/zinc/73/68/69/852736869.db2.gz FPBWIZIQRWSUBA-GYHWCHFESA-N 0 0 420.490 4.019 50 30 HIEARN C#CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000221946337 853875827 /nfs/dbraw/zinc/87/58/27/853875827.db2.gz OQQSYWDOWFMKDW-AQTBWJFISA-N 0 0 414.433 4.407 50 30 HIEARN S=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)NC1CCCCC1 ZINC000254369261 854210493 /nfs/dbraw/zinc/21/04/93/854210493.db2.gz UZSBQDMVGSHROA-YFDNODEXSA-N 0 0 424.614 4.233 50 30 HIEARN CC(=NOCC(=O)NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000254397786 854211159 /nfs/dbraw/zinc/21/11/59/854211159.db2.gz DBNMFMMFXBCFAX-UHFFFAOYSA-N 0 0 416.477 4.104 50 30 HIEARN N#Cc1ccc(N2Cc3ccccc3C2=NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000254482029 854211817 /nfs/dbraw/zinc/21/18/17/854211817.db2.gz ADHODUXHUZNVDR-UHFFFAOYSA-N 0 0 405.413 4.272 50 30 HIEARN O=C(CON=Cc1ccc(Oc2ncccn2)cc1)Nc1ccc(F)cc1Cl ZINC000254740663 854214371 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C#CCOc1cc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(OC)c2)ccc1OC ZINC000036360346 518319594 /nfs/dbraw/zinc/31/95/94/518319594.db2.gz QYXXLVQMTAUBMM-GOSISDBHSA-N 0 0 403.438 4.025 50 30 HIEARN C#CCOc1cccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccccc4)csc32)c1 ZINC000064798233 518331295 /nfs/dbraw/zinc/33/12/95/518331295.db2.gz QAXAACVMXQTEHH-SFHVURJKSA-N 0 0 423.515 4.067 50 30 HIEARN C=CCN(C(=O)CSc1ccc2c(c1)OCCO2)c1nc2c(s1)CCCC2 ZINC000032966766 518734345 /nfs/dbraw/zinc/73/43/45/518734345.db2.gz AJDABASQBWXJNR-UHFFFAOYSA-N 0 0 402.541 4.104 50 30 HIEARN C=CCN(C(=O)c1ccc(C)cc1)[C@@H](C)C(=O)c1c(C)c(C(=O)OC)n(CC)c1C ZINC000036025747 518737504 /nfs/dbraw/zinc/73/75/04/518737504.db2.gz OVUJWSYBEMUVFY-SFHVURJKSA-N 0 0 410.514 4.119 50 30 HIEARN C=CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)C1CCCC1 ZINC000040156860 518742524 /nfs/dbraw/zinc/74/25/24/518742524.db2.gz VELDRZMQGGCLGK-UHFFFAOYSA-N 0 0 405.420 4.131 50 30 HIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1cccc(F)c1 ZINC000037546940 518886956 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/nfs/dbraw/zinc/25/66/83/519256683.db2.gz HCTWJYGGZWOILI-CYBMUJFWSA-N 0 0 417.600 4.451 50 30 HIEARN CCCCCOc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000027572206 520255790 /nfs/dbraw/zinc/25/57/90/520255790.db2.gz ROWJUZBLVUFPAH-UHFFFAOYSA-N 0 0 420.509 4.291 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccncc4)nc3c1[C@@H]2c1ccccc1 ZINC000009304782 520269595 /nfs/dbraw/zinc/26/95/95/520269595.db2.gz XIBKFZBGAVEEIZ-LJQANCHMSA-N 0 0 423.476 4.354 50 30 HIEARN CCOC(=O)C1CCN(CN2c3ccccc3/C(=N/c3ccc(C)c(C)c3)C2=O)CC1 ZINC000020036715 520577902 /nfs/dbraw/zinc/57/79/02/520577902.db2.gz LJVWHDDNMWOCNO-RWEWTDSWSA-N 0 0 419.525 4.003 50 30 HIEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2c(C)nn3c2nccc3C(F)(F)F)c1C ZINC000025043896 521358349 /nfs/dbraw/zinc/35/83/49/521358349.db2.gz JJYRKMHLCYAHRJ-VOTSOKGWSA-N 0 0 420.391 4.074 50 30 HIEARN CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)O2 ZINC000101106957 521393588 /nfs/dbraw/zinc/39/35/88/521393588.db2.gz SZNHFCZGEJFZIL-IBGZPJMESA-N 0 0 407.514 4.339 50 30 HIEARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cn(CCC#N)nc1-c1ccccc1 ZINC000049581327 521449582 /nfs/dbraw/zinc/44/95/82/521449582.db2.gz RKGGBTHVFCMTMR-MDZDMXLPSA-N 0 0 417.425 4.114 50 30 HIEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1C)NCc1c(C)nn(C)c1C ZINC000032972665 521514092 /nfs/dbraw/zinc/51/40/92/521514092.db2.gz OMMNUCXLRAIANJ-UHFFFAOYSA-N 0 0 419.529 4.142 50 30 HIEARN CCOc1ccccc1Nc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1 ZINC000013137491 521555299 /nfs/dbraw/zinc/55/52/99/521555299.db2.gz BFEFOSGIRZKSMZ-UHFFFAOYSA-N 0 0 417.560 4.115 50 30 HIEARN CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2ccc(C)cc2)c(C)n1 ZINC000032972888 521650737 /nfs/dbraw/zinc/65/07/37/521650737.db2.gz ABLOFRNBAVBTEL-UHFFFAOYSA-N 0 0 407.493 4.447 50 30 HIEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000018250773 523185111 /nfs/dbraw/zinc/18/51/11/523185111.db2.gz XZRCJLUGIDIOKV-DEOSSOPVSA-N 0 0 420.509 4.485 50 30 HIEARN CN(Cc1cccs1)Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N ZINC000025776787 523447069 /nfs/dbraw/zinc/44/70/69/523447069.db2.gz BBPXRRYFWOJEDB-UHFFFAOYSA-N 0 0 406.536 4.342 50 30 HIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000051366841 523606306 /nfs/dbraw/zinc/60/63/06/523606306.db2.gz CEJYWJSEJHZTLS-GIUUDRRCSA-N 0 0 411.527 4.256 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2ccccc2C)c1C ZINC000032971794 523640937 /nfs/dbraw/zinc/64/09/37/523640937.db2.gz FOYCDEWKDONWET-UHFFFAOYSA-N 0 0 407.493 4.365 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000032910004 524033682 /nfs/dbraw/zinc/03/36/82/524033682.db2.gz VTNSWHYSCHZPID-AROKFOENSA-N 0 0 406.438 4.032 50 30 HIEARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000040288059 524187443 /nfs/dbraw/zinc/18/74/43/524187443.db2.gz SXFPEJWRKIBECI-JLTOFOAXSA-N 0 0 406.417 4.197 50 30 HIEARN C[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000035146801 525069568 /nfs/dbraw/zinc/06/95/68/525069568.db2.gz MVEYBBWMMSBPHV-VEUNDLRXSA-N 0 0 420.307 4.442 50 30 HIEARN Cc1cc(NC(=O)C2CC2)sc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000025668400 525116037 /nfs/dbraw/zinc/11/60/37/525116037.db2.gz WSSJIEJGRGLBRS-UHFFFAOYSA-N 0 0 406.429 4.205 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)c(OC)c1 ZINC000013127046 525399451 /nfs/dbraw/zinc/39/94/51/525399451.db2.gz MBXMRLIGVHEUNK-IQMFZBJNSA-N 0 0 416.481 4.019 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccc(C)cc3)C2)cc1OC ZINC000018198501 525399589 /nfs/dbraw/zinc/39/95/89/525399589.db2.gz QCLMRHXAOIZXPW-UZUQRXQVSA-N 0 0 416.481 4.019 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000102803663 525761263 /nfs/dbraw/zinc/76/12/63/525761263.db2.gz KCVOQTAHJOFIBZ-NHFXJNLRSA-N 0 0 420.852 4.370 50 30 HIEARN COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccccn3)C4)C2=O)c1 ZINC000057172627 525765781 /nfs/dbraw/zinc/76/57/81/525765781.db2.gz PZIQNRHHHMULLZ-SSDVNMTOSA-N 0 0 414.461 4.367 50 30 HIEARN COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(Cc3ccncc3)C4)C2=O)c1 ZINC000057165578 525765839 /nfs/dbraw/zinc/76/58/39/525765839.db2.gz YVFIBARHHXVGKG-SSDVNMTOSA-N 0 0 414.461 4.367 50 30 HIEARN Cc1c(F)cccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N ZINC000019852336 525807256 /nfs/dbraw/zinc/80/72/56/525807256.db2.gz AKZNEKYXBCCGLK-UHFFFAOYSA-N 0 0 423.498 4.314 50 30 HIEARN C[C@H]1CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c1cc(F)cc(F)c1 ZINC000009011956 526209676 /nfs/dbraw/zinc/20/96/76/526209676.db2.gz GOWUHNYZJLEMQE-GIPWTMENSA-N 0 0 408.408 4.472 50 30 HIEARN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSCc1ccccc1)CCCC2 ZINC000033143949 526530741 /nfs/dbraw/zinc/53/07/41/526530741.db2.gz AESRWKCBXRLUOD-SFHVURJKSA-N 0 0 409.555 4.289 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccco1)c1ccccc1 ZINC000102715820 526954330 /nfs/dbraw/zinc/95/43/30/526954330.db2.gz OSFGEYIACASMEU-MOBKVPTQSA-N 0 0 412.445 4.425 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000102535068 526955615 /nfs/dbraw/zinc/95/56/15/526955615.db2.gz 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Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccc(C)cc1 ZINC000032972397 527629430 /nfs/dbraw/zinc/62/94/30/527629430.db2.gz UAJLQGVEOSSOKR-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000755760 557076830 /nfs/dbraw/zinc/07/68/30/557076830.db2.gz UTOXLYZDXFZTAD-OAHLLOKOSA-N 0 0 410.297 4.484 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000000781157 557078784 /nfs/dbraw/zinc/07/87/84/557078784.db2.gz QGJZULCMKPJIBW-LHSJRXKWSA-N 0 0 423.490 4.011 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\c1ccc(C(C)=O)cc1 ZINC000000992459 557135420 /nfs/dbraw/zinc/13/54/20/557135420.db2.gz QHPYMQHVYPHVNG-KHUIZHDGSA-N 0 0 421.522 4.344 50 30 HIEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001009982 557141590 /nfs/dbraw/zinc/14/15/90/557141590.db2.gz JIIDVOQIOVZSJL-NRFANRHFSA-N 0 0 405.473 4.463 50 30 HIEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)cc1 ZINC000001012406 557141928 /nfs/dbraw/zinc/14/19/28/557141928.db2.gz OMQLUFGBABSZOX-XAEZOWLJSA-N 0 0 416.886 4.456 50 30 HIEARN COc1cc(C=NN2C(=S)N=NC2c2ccncc2)ccc1OCc1ccccc1 ZINC000001244731 557251143 /nfs/dbraw/zinc/25/11/43/557251143.db2.gz NQNRNMJRFDHRQA-ZVHZXABRSA-N 0 0 417.494 4.099 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F ZINC000001438561 557263280 /nfs/dbraw/zinc/26/32/80/557263280.db2.gz IMICYJXCLONDQP-WNSKOXEYSA-N 0 0 421.468 4.369 50 30 HIEARN CCOC(=O)c1c(SCC#N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000001644222 557278585 /nfs/dbraw/zinc/27/85/85/557278585.db2.gz OEKUOZQJYQDZHW-UHFFFAOYSA-N 0 0 423.519 4.150 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000002083657 557310524 /nfs/dbraw/zinc/31/05/24/557310524.db2.gz MYADHEDVFULCTL-HSZRJFAPSA-N 0 0 403.478 4.277 50 30 HIEARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002816284 557395173 /nfs/dbraw/zinc/39/51/73/557395173.db2.gz WWKLBQOIOPEACZ-NRFANRHFSA-N 0 0 415.505 4.398 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000004065858 557509088 /nfs/dbraw/zinc/50/90/88/557509088.db2.gz YZCVORKVAHYZAI-JOCHJYFZSA-N 0 0 411.498 4.181 50 30 HIEARN COc1ccc(Nc2nc(N=NCc3ccccc3)nc(NCc3ccco3)n2)cc1 ZINC000004181787 557525569 /nfs/dbraw/zinc/52/55/69/557525569.db2.gz NBEMHMLPEJBGEC-ZVHZXABRSA-N 0 0 415.457 4.275 50 30 HIEARN COc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OC(=O)c1ccccc1 ZINC000004209640 557528874 /nfs/dbraw/zinc/52/88/74/557528874.db2.gz VSUHLSOJQNXRRP-HZHRSRAPSA-N 0 0 411.527 4.045 50 30 HIEARN N#CCCn1nc(-c2ccccc2)cc1NC(=O)NC(=O)c1c(F)cccc1Cl ZINC000004322921 557541140 /nfs/dbraw/zinc/54/11/40/557541140.db2.gz QLGYMYZZQKXYBH-UHFFFAOYSA-N 0 0 411.824 4.218 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000004333218 557542790 /nfs/dbraw/zinc/54/27/90/557542790.db2.gz IRSYJVGYRIIXJC-OAQYLSRUSA-N 0 0 418.424 4.008 50 30 HIEARN Fc1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 ZINC000004474698 557557248 /nfs/dbraw/zinc/55/72/48/557557248.db2.gz ZHBQZHACFWEGGA-ZVHZXABRSA-N 0 0 409.444 4.330 50 30 HIEARN c1ccc2cc(CN=Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)ccc2c1 ZINC000004478031 557557965 /nfs/dbraw/zinc/55/79/65/557557965.db2.gz AQZCNQQEFCXVMI-XIEYBQDHSA-N 0 0 415.545 4.451 50 30 HIEARN CCCCN1C(=O)[C@@](O)(CC(=O)C=Cc2ccco2)c2cc(Br)ccc21 ZINC000004554115 557566608 /nfs/dbraw/zinc/56/66/08/557566608.db2.gz RYKGEGBUIHNFRG-AQKVLALTSA-N 0 0 418.287 4.049 50 30 HIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 ZINC000004629634 557574409 /nfs/dbraw/zinc/57/44/09/557574409.db2.gz OARHAIDSCYYZGB-GOSISDBHSA-N 0 0 403.862 4.326 50 30 HIEARN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc1 ZINC000004664407 557578255 /nfs/dbraw/zinc/57/82/55/557578255.db2.gz COTHVSZBIFBMQP-XGHAMVSDSA-N 0 0 410.495 4.496 50 30 HIEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 ZINC000004776963 557596995 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NSNCAJATQHFLEJ-DNVCBOLYSA-N 0 0 423.534 4.430 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004951600 557616583 /nfs/dbraw/zinc/61/65/83/557616583.db2.gz GLYGRDINHXBZBT-QFIPXVFZSA-N 0 0 403.482 4.087 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000005045113 557629261 /nfs/dbraw/zinc/62/92/61/557629261.db2.gz KEGXGXWSTOSVFD-MRXNPFEDSA-N 0 0 410.253 4.120 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000005445725 557654280 /nfs/dbraw/zinc/65/42/80/557654280.db2.gz FMGWXPOAWWMZAA-QFIPXVFZSA-N 0 0 415.445 4.487 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000005595984 557664255 /nfs/dbraw/zinc/66/42/55/557664255.db2.gz KJNJKKHVFWZCAZ-OAQYLSRUSA-N 0 0 414.417 4.373 50 30 HIEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(N(CC)CC)cc1)C1=C(CCCC1=O)N2 ZINC000005926193 557681157 /nfs/dbraw/zinc/68/11/57/557681157.db2.gz VZIIYEIHKIIQMX-SFHVURJKSA-N 0 0 424.570 4.293 50 30 HIEARN O=C1N/C(=N/N=C/c2ccccc2Cl)S[C@H]1Cc1ccc(Br)cc1 ZINC000006142414 557690484 /nfs/dbraw/zinc/69/04/84/557690484.db2.gz MUGGNJUNZACNOB-VYXQJKENSA-N 0 0 422.735 4.267 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000006781560 557720764 /nfs/dbraw/zinc/72/07/64/557720764.db2.gz RTAYVFRIVMCGHD-NRFANRHFSA-N 0 0 423.509 4.217 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000006786311 557721191 /nfs/dbraw/zinc/72/11/91/557721191.db2.gz GLHVAOAWINDMLT-KRWDZBQOSA-N 0 0 406.265 4.218 50 30 HIEARN O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000006813819 557724709 /nfs/dbraw/zinc/72/47/09/557724709.db2.gz PPCQBUJMFULQIZ-TWLJRWAQSA-N 0 0 400.409 4.403 50 30 HIEARN COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1OC ZINC000006819541 557725033 /nfs/dbraw/zinc/72/50/33/557725033.db2.gz MUVIQNKLKDPARV-ZBFHGGJFSA-N 0 0 411.885 4.362 50 30 HIEARN CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000006819757 557725232 /nfs/dbraw/zinc/72/52/32/557725232.db2.gz HQFGILQUBKETAX-WIYYLYMNSA-N 0 0 405.494 4.488 50 30 HIEARN O=C(/C=C/c1cccs1)c1cc(Br)ccc1OC(=O)N1CCOCC1 ZINC000008433181 557788678 /nfs/dbraw/zinc/78/86/78/557788678.db2.gz AFXMPUQPBNHIHU-SNAWJCMRSA-N 0 0 422.300 4.238 50 30 HIEARN CCOc1ccc2nc(N=C3NC(=O)C[C@H](c4ccc(OC)cc4)N3)nc(C)c2c1 ZINC000008686431 557800165 /nfs/dbraw/zinc/80/01/65/557800165.db2.gz KQAQQNMXXWWOOB-LJQANCHMSA-N 0 0 405.458 4.024 50 30 aggregator HIEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2cc(OC)ccc2OC)c1=O ZINC000097474792 557809380 /nfs/dbraw/zinc/80/93/80/557809380.db2.gz QSFTXTBVQOPZLH-UITAMQMPSA-N 0 0 418.287 4.154 50 30 HIEARN CCSC1=N/C(=C\c2cc(Br)c(OC(C)=O)c(OC)c2)C(=O)S1 ZINC000009804806 557849880 /nfs/dbraw/zinc/84/98/80/557849880.db2.gz VLWXEOWHUKNWIS-WDZFZDKYSA-N 0 0 416.318 4.106 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2 ZINC000019771174 558279762 /nfs/dbraw/zinc/27/97/62/558279762.db2.gz YDCQRRZOHXVNOS-DEOSSOPVSA-N 0 0 417.505 4.449 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(OC)c1 ZINC000019810896 558286840 /nfs/dbraw/zinc/28/68/40/558286840.db2.gz SJTIEWCWKFTFRQ-VFNWGFHPSA-N 0 0 409.507 4.291 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(O)c1 ZINC000019848734 558295121 /nfs/dbraw/zinc/29/51/21/558295121.db2.gz KZGHZWPXMAUULO-BTYIYWSLSA-N 0 0 409.507 4.378 50 30 HIEARN N=C(Nc1ccc2c(c1)OCCO2)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000019859349 558297237 /nfs/dbraw/zinc/29/72/37/558297237.db2.gz YYGNKLXGBGTDHA-UHFFFAOYSA-N 0 0 421.404 4.053 50 30 HIEARN COC(=O)c1ccc(NC(=Nc2cccc(Cl)c2)n2sc(C)cc2=N)cc1 ZINC000020344059 558356423 /nfs/dbraw/zinc/35/64/23/558356423.db2.gz DMHQUWIOFIVAQS-UHFFFAOYSA-N 0 0 400.891 4.425 50 30 HIEARN N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccc(O)cc1 ZINC000020814550 558416488 /nfs/dbraw/zinc/41/64/88/558416488.db2.gz AMYZFPXMWYWBQQ-UHFFFAOYSA-N 0 0 420.881 4.408 50 30 HIEARN Cc1ccccc1NC(=S)N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012523980 558424576 /nfs/dbraw/zinc/42/45/76/558424576.db2.gz QFIDGSBZLKVQGV-UHFFFAOYSA-N 0 0 409.536 4.117 50 30 HIEARN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2)cc1 ZINC000013573709 558543034 /nfs/dbraw/zinc/54/30/34/558543034.db2.gz HMSCSTOSXXMFCX-QNGOZBTKSA-N 0 0 419.458 4.107 50 30 HIEARN Cc1nc2c3ccccc3nc(SCc3c(C#N)c(C)nn3-c3ccccc3)n2n1 ZINC000010889982 558543649 /nfs/dbraw/zinc/54/36/49/558543649.db2.gz XEVRFNFWOHXJTF-UHFFFAOYSA-N 0 0 411.494 4.244 50 30 HIEARN COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2cccc3ccccc32)cc1OC ZINC000013597588 558547586 /nfs/dbraw/zinc/54/75/86/558547586.db2.gz ZQIIUFRBTFWZAF-NFRIGNNNSA-N 0 0 419.506 4.323 50 30 HIEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc4c(c2)OCO4)O3)C1 ZINC000013653816 558558315 /nfs/dbraw/zinc/55/83/15/558558315.db2.gz UUVNITKCSVJHDM-YOFPLDQWSA-N 0 0 407.466 4.215 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(F)cc1 ZINC000013688768 558571178 /nfs/dbraw/zinc/57/11/78/558571178.db2.gz CCMSKUBWMCVXMS-LTUQMTLXSA-N 0 0 405.882 4.459 50 30 HIEARN COc1ccc(/C(C)=N/N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000004498668 558612311 /nfs/dbraw/zinc/61/23/11/558612311.db2.gz ALNYTXAISJBKSQ-OJLHXUGZSA-N 0 0 415.449 4.415 50 30 HIEARN Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2/C=N/NC(N)=S)c1 ZINC000004512229 558625765 /nfs/dbraw/zinc/62/57/65/558625765.db2.gz GVUBSWWJIWBCCC-FSJBWODESA-N 0 0 405.951 4.397 50 30 HIEARN CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C(=O)N1CC ZINC000004544656 558664579 /nfs/dbraw/zinc/66/45/79/558664579.db2.gz MHIZDVYGHRLDML-LGHZWSLZSA-N 0 0 421.522 4.458 50 30 HIEARN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COc2ccccc2C(F)(F)F)c1C ZINC000072292290 558735592 /nfs/dbraw/zinc/73/55/92/558735592.db2.gz UZXZTHOBCCPDMQ-UHFFFAOYSA-N 0 0 414.387 4.397 50 30 HIEARN CCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997198 558808515 /nfs/dbraw/zinc/80/85/15/558808515.db2.gz QDPAUTGBRZFGFB-OAQYLSRUSA-N 0 0 417.494 4.356 50 30 HIEARN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccco1 ZINC000013727556 558860870 /nfs/dbraw/zinc/86/08/70/558860870.db2.gz XPHXIMRGKKEYTK-LJQANCHMSA-N 0 0 424.840 4.115 50 30 HIEARN C=CCN(C(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1)c1ccccc1 ZINC000004659880 558873325 /nfs/dbraw/zinc/87/33/25/558873325.db2.gz OWIRVDYTDOCNAH-MTNREXPMSA-N 0 0 400.478 4.221 50 30 HIEARN C=CCn1c(C)nc2c(c1=O)[C@H](c1cccs1)c1c(=O)oc3ccccc3c1O2 ZINC000004665055 558876681 /nfs/dbraw/zinc/87/66/81/558876681.db2.gz UIDWESFQIVGLPG-MRXNPFEDSA-N 0 0 404.447 4.192 50 30 HIEARN C/C(=N/NC(=S)Nc1ccc(C)cc1)c1cc(Br)c([N+](=O)[O-])s1 ZINC000072433962 558979659 /nfs/dbraw/zinc/97/96/59/558979659.db2.gz UHEYBQJELSQRCZ-MFOYZWKCSA-N 0 0 413.322 4.438 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1OC ZINC000004736522 559036428 /nfs/dbraw/zinc/03/64/28/559036428.db2.gz KXNKQTHZGODONK-UHFFFAOYSA-N 0 0 408.527 4.487 50 30 HIEARN O=C1N/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000011565507 559110583 /nfs/dbraw/zinc/11/05/83/559110583.db2.gz ZHJCZYGSWJMJML-IEEVUCOHSA-N 0 0 423.281 4.066 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/c1ccc(C)c(C)c1 ZINC000096737103 559112184 /nfs/dbraw/zinc/11/21/84/559112184.db2.gz KADSRHZVUADRQV-DRGFOCDESA-N 0 0 411.527 4.292 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cccs1 ZINC000100623251 559137043 /nfs/dbraw/zinc/13/70/43/559137043.db2.gz XWELREAAZOGAJP-PEBXRYMYSA-N 0 0 409.507 4.291 50 30 HIEARN COc1ccc(CCNC(=C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1OC ZINC000100943145 559142200 /nfs/dbraw/zinc/14/22/00/559142200.db2.gz BBZRXZXRTLCYIO-UHFFFAOYSA-N 0 0 413.473 4.326 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(CSc4nc[nH]n4)cc3)sc2C1 ZINC000014189951 559155411 /nfs/dbraw/zinc/15/54/11/559155411.db2.gz MDYMTRYMSXLKCT-LBPRGKRZSA-N 0 0 409.540 4.407 50 30 HIEARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2c(C#N)cnn2C)cc1 ZINC000014227504 559160919 /nfs/dbraw/zinc/16/09/19/559160919.db2.gz FESIDQFXOZYPMH-UHFFFAOYSA-N 0 0 417.444 4.159 50 30 HIEARN Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1ccccc1C#N ZINC000004882617 559197407 /nfs/dbraw/zinc/19/74/07/559197407.db2.gz RVHNVRXIRSLKRN-UHFFFAOYSA-N 0 0 415.518 4.004 50 30 HIEARN Cc1ccc(/C=N/n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000005070883 559241330 /nfs/dbraw/zinc/24/13/30/559241330.db2.gz VYQRVCGXYDHRJM-MZJWZYIUSA-N 0 0 414.513 4.133 50 30 HIEARN C=C(C)COc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC ZINC000005120512 559247758 /nfs/dbraw/zinc/24/77/58/559247758.db2.gz GGZURGHIZXJFCS-ZOGNMOHXSA-N 0 0 404.510 4.287 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005130370 559249299 /nfs/dbraw/zinc/24/92/99/559249299.db2.gz YMUOUPFJAUZYIT-JOCHJYFZSA-N 0 0 403.482 4.087 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)nc1 ZINC000024149354 559274503 /nfs/dbraw/zinc/27/45/03/559274503.db2.gz PQHLONYDQJOOIF-JOCHJYFZSA-N 0 0 402.523 4.137 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(Cc2cccnc2)C3)C1=O ZINC000062001281 560565707 /nfs/dbraw/zinc/56/57/07/560565707.db2.gz SOGVVGLKOCARDX-JJFYIABZSA-N 0 0 414.461 4.367 50 30 HIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4Cl)nc3c2[C@H]1c1ccco1 ZINC000005346116 560570222 /nfs/dbraw/zinc/57/02/22/560570222.db2.gz VTGCGEHKVNTOIE-KRWDZBQOSA-N 0 0 406.829 4.425 50 30 HIEARN C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4)c1ccccc1 ZINC000005350162 560571330 /nfs/dbraw/zinc/57/13/30/560571330.db2.gz FLEVRTVDBRWFSJ-DHRITJCHSA-N 0 0 407.499 4.131 50 30 HIEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccoc1C ZINC000005364685 560571963 /nfs/dbraw/zinc/57/19/63/560571963.db2.gz KFTAMVZAHASMNM-UHFFFAOYSA-N 0 0 413.528 4.019 50 30 HIEARN C=CCn1c(COc2ccccc2F)nnc1SCC(=O)Nc1ccccc1C ZINC000003357718 560592939 /nfs/dbraw/zinc/59/29/39/560592939.db2.gz PEPYHVJNSDWKRU-UHFFFAOYSA-N 0 0 412.490 4.221 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)OC)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000005556845 560613093 /nfs/dbraw/zinc/61/30/93/560613093.db2.gz OYWQZBASPHQYMB-ZDUSSCGKSA-N 0 0 400.525 4.273 50 30 HIEARN C=CCOc1ccc(C=CC(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 ZINC000005079518 560623272 /nfs/dbraw/zinc/62/32/72/560623272.db2.gz ITDOFTCMHQASME-FQTAANOTSA-N 0 0 423.509 4.288 50 30 HIEARN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1 ZINC000015544748 560642012 /nfs/dbraw/zinc/64/20/12/560642012.db2.gz WVHXVVAVTBLAKC-UHFFFAOYSA-N 0 0 421.478 4.010 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000017843396 560729367 /nfs/dbraw/zinc/72/93/67/560729367.db2.gz HPBPIVRQUPKQFX-UHFFFAOYSA-N 0 0 409.533 4.425 50 30 HIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OC)=C(C)N2 ZINC000100951132 560763922 /nfs/dbraw/zinc/76/39/22/560763922.db2.gz RHVVAXSNZDSJFK-KRWDZBQOSA-N 0 0 411.527 4.176 50 30 HIEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(N(C)C)cc2)c1 ZINC000018057552 560774170 /nfs/dbraw/zinc/77/41/70/560774170.db2.gz WUCRHOSHDFLBKT-HSZRJFAPSA-N 0 0 416.525 4.063 50 30 HIEARN COc1ccc(OC)c([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000018196488 560782552 /nfs/dbraw/zinc/78/25/52/560782552.db2.gz HWLSHIRGKVZAHB-VOJFVSQTSA-N 0 0 423.494 4.152 50 30 HIEARN COc1ccc([C@H]2c3c(C)[nH]nc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1O ZINC000018198333 560783495 /nfs/dbraw/zinc/78/34/95/560783495.db2.gz IOPGHBKHZCAHAI-XCLFUZPHSA-N 0 0 407.495 4.452 50 30 HIEARN O=C1N/C(=N\N=C\c2ccc(F)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 ZINC000018209106 560784399 /nfs/dbraw/zinc/78/43/99/560784399.db2.gz QHWJRJPFMQBEOP-WPZNHYQYSA-N 0 0 409.458 4.305 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(Cl)c3)C2)cc1 ZINC000018219426 560784513 /nfs/dbraw/zinc/78/45/13/560784513.db2.gz SGRHVPCUQMXMHC-BTYIYWSLSA-N 0 0 406.873 4.356 50 30 HIEARN CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1OC ZINC000012904737 560789192 /nfs/dbraw/zinc/78/91/92/560789192.db2.gz FVQSUSBFNPLCFI-IZZDOVSWSA-N 0 0 417.889 4.110 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccc(F)cc2)C1=O ZINC000101425202 560794173 /nfs/dbraw/zinc/79/41/73/560794173.db2.gz ZRQRPPPAMPWKMF-LFIBNONCSA-N 0 0 414.414 4.278 50 30 HIEARN CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1ccc(N2CCOCC2)cc1 ZINC000101500796 560796504 /nfs/dbraw/zinc/79/65/04/560796504.db2.gz DACZKJYEFVVKQZ-SXZIKPQKSA-N 0 0 418.522 4.238 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000102502478 560812771 /nfs/dbraw/zinc/81/27/71/560812771.db2.gz ACKNUDARGCLQMG-HOGKFDNTSA-N 0 0 414.461 4.021 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102532536 560813516 /nfs/dbraw/zinc/81/35/16/560813516.db2.gz FKHQIKMPFHAGFS-WOOAAIBNSA-N 0 0 420.490 4.395 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102520873 560815886 /nfs/dbraw/zinc/81/58/86/560815886.db2.gz NPKMDOCTOCCWQD-MRJHHRETSA-N 0 0 402.425 4.151 50 30 HIEARN CN(C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 ZINC000102709433 560820959 /nfs/dbraw/zinc/82/09/59/560820959.db2.gz LDSKNQUMBCLNKY-ZYNFKTDBSA-N 0 0 422.506 4.066 50 30 HIEARN Cc1nn(C)cc1C=Nn1cc(O)c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N ZINC000102734890 560822680 /nfs/dbraw/zinc/82/26/80/560822680.db2.gz KVXQXBGSDZYDGA-ZPYHNVIJSA-N 0 0 412.906 4.101 50 30 HIEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1ccco1 ZINC000102874741 560830430 /nfs/dbraw/zinc/83/04/30/560830430.db2.gz TXTJODRPFTZDKC-MRJHHRETSA-N 0 0 403.434 4.219 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102865037 560832573 /nfs/dbraw/zinc/83/25/73/560832573.db2.gz JVZAJAOPOVFVTG-JBCNATCCSA-N 0 0 418.449 4.004 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102880491 560833753 /nfs/dbraw/zinc/83/37/53/560833753.db2.gz RRPFNDADZWPQMQ-NHFXJNLRSA-N 0 0 421.884 4.049 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1cncn1-c1ccc(F)cc1 ZINC000103562937 560843289 /nfs/dbraw/zinc/84/32/89/560843289.db2.gz ZAQHBODARFXFLN-WSDLNYQXSA-N 0 0 419.456 4.049 50 30 HIEARN COc1ccc(CN2C(N)=C(C#N)[C@]3(c4ccccc4NC3=O)C3=C2CCCC3)cc1 ZINC000104494709 560851829 /nfs/dbraw/zinc/85/18/29/560851829.db2.gz UETHKOOPLSSYMI-NLFFAJNJSA-N 0 0 412.493 4.346 50 30 HIEARN C#CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@@H]1CCc2ccccc21 ZINC000047406020 560886768 /nfs/dbraw/zinc/88/67/68/560886768.db2.gz BCCUUJDGMQHFCN-LJQANCHMSA-N 0 0 406.486 4.052 50 30 HIEARN Cc1cc(C)n(-c2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc2F)n1 ZINC000047409267 560886798 /nfs/dbraw/zinc/88/67/98/560886798.db2.gz AXKDPUPNWLOLKR-UHFFFAOYSA-N 0 0 403.417 4.444 50 30 HIEARN O=C(Nc1ccc(F)cc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccccc1 ZINC000044859007 560897525 /nfs/dbraw/zinc/89/75/25/560897525.db2.gz MMQWYNWQXTXBGQ-NRFANRHFSA-N 0 0 402.429 4.297 50 30 HIEARN O=C(N/C(=N/c1cccc(F)c1)NCc1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000045940692 568421998 /nfs/dbraw/zinc/42/19/98/568421998.db2.gz VPNOMHGMSCZGRK-UHFFFAOYSA-N 0 0 416.378 4.447 50 30 HIEARN CC(C)c1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NCc2ccccn2)cc1 ZINC000046125884 568428504 /nfs/dbraw/zinc/42/85/04/568428504.db2.gz PVVHOFVANAZVHC-UHFFFAOYSA-N 0 0 416.481 4.332 50 30 HIEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(Br)cc2)cc1 ZINC000046129443 568429112 /nfs/dbraw/zinc/42/91/12/568429112.db2.gz FRQHGUJOQLDECZ-GOSISDBHSA-N 0 0 416.319 4.134 50 30 HIEARN Cc1csc(N(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2)n1 ZINC000048261880 568433643 /nfs/dbraw/zinc/43/36/43/568433643.db2.gz VCJPWNAFWDTAPW-UHFFFAOYSA-N 0 0 403.511 4.300 50 30 HIEARN COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000048355071 568441413 /nfs/dbraw/zinc/44/14/13/568441413.db2.gz WVHJHUGHCJZQFU-UHFFFAOYSA-N 0 0 423.513 4.027 50 30 HIEARN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1O ZINC000000780230 568474608 /nfs/dbraw/zinc/47/46/08/568474608.db2.gz SEPMZICKAWDUQV-UHFFFAOYSA-N 0 0 401.890 4.488 50 30 HIEARN C=CCn1c(S[C@@H](C)C(N)=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000005776448 568505415 /nfs/dbraw/zinc/50/54/15/568505415.db2.gz MYJRAZSUWNIBJX-JSGCOSHPSA-N 0 0 404.605 4.310 50 30 HIEARN CCOC(=O)NC(NCc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000038154662 568569737 /nfs/dbraw/zinc/56/97/37/568569737.db2.gz ZRCRLKRNHPSCCJ-UHFFFAOYSA-N 0 0 412.252 4.362 50 30 HIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000020015954 568586267 /nfs/dbraw/zinc/58/62/67/568586267.db2.gz XWGNVDZLCLPBHC-UHFFFAOYSA-N 0 0 405.845 4.401 50 30 HIEARN COc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(NC(C)=O)cc3)cc2)cc1 ZINC000020075252 568587655 /nfs/dbraw/zinc/58/76/55/568587655.db2.gz HODHZZCOHMDFBA-HZHRSRAPSA-N 0 0 424.478 4.172 50 30 HIEARN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000095453433 568615872 /nfs/dbraw/zinc/61/58/72/568615872.db2.gz SLYOLYQNIPGSOT-IBGZPJMESA-N 0 0 402.336 4.048 50 30 HIEARN C[C@H]1CN(C(=O)c2cccc(C#N)c2)c2cc(F)ccc2CN1C(=O)OC(C)(C)C ZINC000095454648 568616229 /nfs/dbraw/zinc/61/62/29/568616229.db2.gz ZODZMMUVEPBIIY-HNNXBMFYSA-N 0 0 409.461 4.483 50 30 HIEARN N#Cc1c(N)nc(SCC(=O)OCc2ccccc2)c(C#N)c1-c1cccc(F)c1 ZINC000020814454 568644292 /nfs/dbraw/zinc/64/42/92/568644292.db2.gz PHHAPSQNKGVNBY-UHFFFAOYSA-N 0 0 418.453 4.049 50 30 HIEARN N#Cc1cccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)c1 ZINC000021166763 568674845 /nfs/dbraw/zinc/67/48/45/568674845.db2.gz ZTPZSMWSBRSXOR-UHFFFAOYSA-N 0 0 414.895 4.480 50 30 HIEARN C#CCSc1cccc(C(=O)Nc2ncnc3c2c(C)c(C)n3C[C@H]2CCCO2)c1 ZINC000096011128 568683905 /nfs/dbraw/zinc/68/39/05/568683905.db2.gz HAFMJAUYIMWJPQ-GOSISDBHSA-N 0 0 420.538 4.205 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccs1 ZINC000012390822 568695134 /nfs/dbraw/zinc/69/51/34/568695134.db2.gz HUQIXCBTMUSAGB-UHFFFAOYSA-N 0 0 400.525 4.438 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(F)cc3)C2)cc1 ZINC000012391087 568695662 /nfs/dbraw/zinc/69/56/62/568695662.db2.gz IALFTBQCBIGBPX-XOBRGWDASA-N 0 0 406.417 4.197 50 30 HIEARN C=CCNC(=O)Nc1ccccc1N1CCCN(Cc2cc(F)cc(F)c2)C1=O ZINC000096247521 568709931 /nfs/dbraw/zinc/70/99/31/568709931.db2.gz YZBJZLRUWWSUJW-UHFFFAOYSA-N 0 0 400.429 4.105 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(OC)cc3)C2)cc1 ZINC000012407378 568711938 /nfs/dbraw/zinc/71/19/38/568711938.db2.gz XFKLBKDCJYFOQF-VFNWGFHPSA-N 0 0 418.453 4.066 50 30 HIEARN N#Cc1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCCC3)CCCC2 ZINC000000869788 568713640 /nfs/dbraw/zinc/71/36/40/568713640.db2.gz ZVNNUMODBYHNGB-UHFFFAOYSA-N 0 0 408.449 4.231 50 30 HIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)sc2C1 ZINC000000869852 568713962 /nfs/dbraw/zinc/71/39/62/568713962.db2.gz UBTOSYANHRASGA-SNVBAGLBSA-N 0 0 408.449 4.087 50 30 HIEARN CCN1CCN(c2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)CC1 ZINC000012418928 568718912 /nfs/dbraw/zinc/71/89/12/568718912.db2.gz OINRUNAPWUSPOT-UHFFFAOYSA-N 0 0 412.877 4.181 50 30 HIEARN Cc1ccccc1C(=O)N1CCN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)CC1 ZINC000012418643 568719136 /nfs/dbraw/zinc/71/91/36/568719136.db2.gz GGFRJLWGWHOWTO-DHZHZOJOSA-N 0 0 416.456 4.127 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 ZINC000000876765 568732990 /nfs/dbraw/zinc/73/29/90/568732990.db2.gz URFPQLDDAQNDQK-JOCHJYFZSA-N 0 0 404.466 4.007 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccccc1OC ZINC000000884534 568738513 /nfs/dbraw/zinc/73/85/13/568738513.db2.gz BNLFMOABZMINGT-MAVBTGMRSA-N 0 0 411.527 4.292 50 30 HIEARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1ccc(C#N)cc1 ZINC000096349884 568738562 /nfs/dbraw/zinc/73/85/62/568738562.db2.gz VYOXLKYVNQDRRB-UHFFFAOYSA-N 0 0 405.845 4.058 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 ZINC000000937265 568751933 /nfs/dbraw/zinc/75/19/33/568751933.db2.gz GKKBPCHACKETSW-PXAZEXFGSA-N 0 0 406.511 4.097 50 30 HIEARN CC(C)[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)N1C(=O)c2ccccc2C1=O ZINC000000947417 568752906 /nfs/dbraw/zinc/75/29/06/568752906.db2.gz CNJOSRYWLDLZFC-BFUOFWGJSA-N 0 0 421.522 4.004 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c[nH]nc1-c1ccccc1 ZINC000096580804 568762450 /nfs/dbraw/zinc/76/24/50/568762450.db2.gz PMZYPNDXRFFZJT-HXUWFJFHSA-N 0 0 411.461 4.208 50 30 HIEARN O=C1[C@H](c2ccccc2)SC(=Nc2ccccc2)N1S(=O)(=O)c1ccccc1 ZINC000254556531 568764330 /nfs/dbraw/zinc/76/43/30/568764330.db2.gz GXJKSVVWQRWBMW-IBGZPJMESA-N 0 0 408.504 4.380 50 30 aggregator HIEARN COc1ccc([C@]2(C)NC(=O)N(Cc3ccc(-c4ccccc4C#N)cc3)C2=O)cc1 ZINC000022409867 568767568 /nfs/dbraw/zinc/76/75/68/568767568.db2.gz KFIYZJDUSCKIKA-VWLOTQADSA-N 0 0 411.461 4.201 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1Cl ZINC000002640986 568793646 /nfs/dbraw/zinc/79/36/46/568793646.db2.gz BGUVGBUEKRBSRY-UHFFFAOYSA-N 0 0 409.858 4.474 50 30 HIEARN CCN(CC)C(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC)c(C#N)c1C ZINC000001200858 568823225 /nfs/dbraw/zinc/82/32/25/568823225.db2.gz KPDSYNZMPYHVMT-UHFFFAOYSA-N 0 0 405.907 4.325 50 30 HIEARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000005866916 568826824 /nfs/dbraw/zinc/82/68/24/568826824.db2.gz QOQYZHMTHWYCBQ-LJQANCHMSA-N 0 0 400.862 4.258 50 30 HIEARN CC(=O)c1cc(C#N)c(SCCSc2nc(C)c(C(C)=O)cc2C#N)nc1C ZINC000005921445 568829810 /nfs/dbraw/zinc/82/98/10/568829810.db2.gz OTVWRFHFRZWHFK-UHFFFAOYSA-N 0 0 410.524 4.126 50 30 HIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931320 568829986 /nfs/dbraw/zinc/82/99/86/568829986.db2.gz ITVFMEDENRGAKJ-MLGOLLRUSA-N 0 0 410.543 4.256 50 30 HIEARN CCOc1ccccc1Nc1sc(C(=O)c2cccc([N+](=O)[O-])c2)c(N)c1C#N ZINC000002962289 568830635 /nfs/dbraw/zinc/83/06/35/568830635.db2.gz DQBDYHVSVOODIA-UHFFFAOYSA-N 0 0 408.439 4.483 50 30 HIEARN CCN(CC)c1ccc(-c2nnc(SCCOc3ccc(C#N)cc3)n2C)cc1 ZINC000012537235 568846025 /nfs/dbraw/zinc/84/60/25/568846025.db2.gz HEYCKBNJBULRJI-UHFFFAOYSA-N 0 0 407.543 4.371 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc(C)c(C)c2c1=O ZINC000003317960 568854010 /nfs/dbraw/zinc/85/40/10/568854010.db2.gz VASHNTMCCQIDCM-SWLSCSKDSA-N 0 0 405.589 4.048 50 30 HIEARN N#Cc1cc2cc3ccccc3nc2n2c(=O)c3cc(Br)ccc3nc12 ZINC000003182751 568860204 /nfs/dbraw/zinc/86/02/04/568860204.db2.gz VKALEESTJRWZOM-UHFFFAOYSA-N 0 0 401.223 4.183 50 30 HIEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2CCC[C@H]2c2cccn2C)c1C#N ZINC000012568187 568860890 /nfs/dbraw/zinc/86/08/90/568860890.db2.gz GAMQXMMCOAOCQP-NRFANRHFSA-N 0 0 421.570 4.201 50 30 HIEARN N#Cc1c(NC(=O)COC(=O)COc2ccccc2Cl)sc2c1CCCCC2 ZINC000003247273 568867279 /nfs/dbraw/zinc/86/72/79/568867279.db2.gz YGYKHMKNHNUEJT-UHFFFAOYSA-N 0 0 418.902 4.103 50 30 HIEARN C=CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc2sc3c(c2c1=O)CCC3 ZINC000003318808 568879979 /nfs/dbraw/zinc/87/99/79/568879979.db2.gz VAEPUJAIKDCURN-KBPBESRZSA-N 0 0 417.600 4.014 50 30 HIEARN C=CCN(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000003328874 568881711 /nfs/dbraw/zinc/88/17/11/568881711.db2.gz ISSWMTFZUASHJB-UHFFFAOYSA-N 0 0 408.523 4.272 50 30 HIEARN COc1ccc(-c2oc(NC(=O)COC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000012651070 568906574 /nfs/dbraw/zinc/90/65/74/568906574.db2.gz NXBQNXZEBGEVID-UHFFFAOYSA-N 0 0 420.421 4.004 50 30 HIEARN COCCn1c(SCc2ccccc2C#N)nc2sc3c(c2c1=O)CCCC3 ZINC000003549133 568914533 /nfs/dbraw/zinc/91/45/33/568914533.db2.gz CUVFRMFNKDFLKY-UHFFFAOYSA-N 0 0 411.552 4.147 50 30 HIEARN COc1ccc(C)cc1NC(=NCc1ccncc1)NC(=O)c1cccc(Cl)c1 ZINC000045939534 568921032 /nfs/dbraw/zinc/92/10/32/568921032.db2.gz DAFUUCUKBYXPRM-UHFFFAOYSA-N 0 0 408.889 4.259 50 30 HIEARN CN(C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000083868037 568922056 /nfs/dbraw/zinc/92/20/56/568922056.db2.gz KDGNLMNOGAHGDW-UHFFFAOYSA-N 0 0 403.442 4.283 50 30 HIEARN CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)c(C(=O)OC(C)(C)C)c1C ZINC000012739184 568925694 /nfs/dbraw/zinc/92/56/94/568925694.db2.gz PGBVLCJXTIPLJR-UHFFFAOYSA-N 0 0 414.483 4.313 50 30 HIEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccc2c(c1)OCO2)NCc1ccccn1 ZINC000046125632 568930887 /nfs/dbraw/zinc/93/08/87/568930887.db2.gz XVKALWQPEYKYKS-UHFFFAOYSA-N 0 0 422.872 4.170 50 30 HIEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1 ZINC000004066111 568937589 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Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(O)c2)sc1C ZINC000004312249 568961155 /nfs/dbraw/zinc/96/11/55/568961155.db2.gz KZYIBXVQDRBFRB-INIZCTEOSA-N 0 0 412.492 4.310 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1F ZINC000004811101 568964278 /nfs/dbraw/zinc/96/42/78/568964278.db2.gz DGCIDCJGTCJSGJ-CQSZACIVSA-N 0 0 412.490 4.398 50 30 HIEARN C=CCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1cccc(Cl)c1 ZINC000005027726 568964793 /nfs/dbraw/zinc/96/47/93/568964793.db2.gz BNGIALNWOCPIQU-IBGZPJMESA-N 0 0 413.930 4.336 50 30 HIEARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4sccc4C#N)c(=O)c23)cc1 ZINC000007987879 568965517 /nfs/dbraw/zinc/96/55/17/568965517.db2.gz OGTUJNGLAJYOCA-UHFFFAOYSA-N 0 0 406.492 4.005 50 30 HIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(C)c1)C(C(=O)OC(C)C)=C(C)N2 ZINC000007990940 568976026 /nfs/dbraw/zinc/97/60/26/568976026.db2.gz MCJUGCKKDRJNBX-KRWDZBQOSA-N 0 0 411.527 4.139 50 30 HIEARN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1cccs1 ZINC000008133176 568976180 /nfs/dbraw/zinc/97/61/80/568976180.db2.gz IDYDCUBTISCNAE-UHFFFAOYSA-N 0 0 415.569 4.179 50 30 HIEARN N#Cc1oc2ccccc2c1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000008156995 568978418 /nfs/dbraw/zinc/97/84/18/568978418.db2.gz AOYVUFHKTBFLBC-UHFFFAOYSA-N 0 0 415.478 4.493 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H](C)c2ccc(CC)cc2)nnc1-c1cccnc1 ZINC000008472245 568978895 /nfs/dbraw/zinc/97/88/95/568978895.db2.gz YOVMUAYIBBRRBJ-INIZCTEOSA-N 0 0 407.543 4.058 50 30 HIEARN N#Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000006079122 568994080 /nfs/dbraw/zinc/99/40/80/568994080.db2.gz IPPDWPIZWTXQSS-UHFFFAOYSA-N 0 0 417.918 4.029 50 30 HIEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 ZINC000012481068 568995193 /nfs/dbraw/zinc/99/51/93/568995193.db2.gz MMPNKHYPAHSMHD-IEBWSBKVSA-N 0 0 404.514 4.390 50 30 HIEARN C=CCN1C(=O)/C(=C2\c3ccccc3N(Cc3ccc(C)cc3)C2=O)SC1=S ZINC000013810264 569000676 /nfs/dbraw/zinc/00/06/76/569000676.db2.gz KQHVSZCVEODREQ-HNENSFHCSA-N 0 0 406.532 4.299 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccc(F)cc1 ZINC000008427977 569002257 /nfs/dbraw/zinc/00/22/57/569002257.db2.gz MQQHXMURFLWUJJ-UHFFFAOYSA-N 0 0 415.494 4.287 50 30 HIEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000006080247 569005224 /nfs/dbraw/zinc/00/52/24/569005224.db2.gz KCQYNABLZLRVTR-OAQYLSRUSA-N 0 0 411.417 4.001 50 30 HIEARN C=CCOc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OCC ZINC000002081015 569006909 /nfs/dbraw/zinc/00/69/09/569006909.db2.gz PVIUZNPSXJLTPS-BOPFTXTBSA-N 0 0 408.410 4.211 50 30 HIEARN C=CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@H](C)C3 ZINC000002296432 569007062 /nfs/dbraw/zinc/00/70/62/569007062.db2.gz ATPKTFARTZRQAD-ZDUSSCGKSA-N 0 0 408.552 4.498 50 30 HIEARN C=CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@@H](C)C3 ZINC000002296433 569007073 /nfs/dbraw/zinc/00/70/73/569007073.db2.gz ATPKTFARTZRQAD-CYBMUJFWSA-N 0 0 408.552 4.498 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1 ZINC000002370707 569007255 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N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000012881003 569018278 /nfs/dbraw/zinc/01/82/78/569018278.db2.gz ZVBSOUYZBQSXEW-HXUWFJFHSA-N 0 0 424.476 4.111 50 30 HIEARN Cc1c(NC(=O)c2cccc(C#N)c2)cccc1C(=O)N1CCc2sccc2C1 ZINC000012906533 569021324 /nfs/dbraw/zinc/02/13/24/569021324.db2.gz XUQQVOIIAUZZQH-UHFFFAOYSA-N 0 0 401.491 4.379 50 30 HIEARN Cc1cnc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)s1 ZINC000102060068 569027359 /nfs/dbraw/zinc/02/73/59/569027359.db2.gz MPHALDWRAFKPRX-UHFFFAOYSA-N 0 0 422.219 4.288 50 30 HIEARN COc1ccc(C2N=NC(=S)N2N=Cc2cc(Br)ccc2F)cc1 ZINC000240499910 569054625 /nfs/dbraw/zinc/05/46/25/569054625.db2.gz NOOZGIZPGADGKB-UHFFFAOYSA-N 0 0 407.268 4.026 50 30 HIEARN C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@@H]1CCc2ccccc21 ZINC000089286298 569057318 /nfs/dbraw/zinc/05/73/18/569057318.db2.gz IRWUUSSILSCYFM-OAQYLSRUSA-N 0 0 416.550 4.476 50 30 HIEARN Cc1cc(C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)c(C)o1 ZINC000016615103 569060710 /nfs/dbraw/zinc/06/07/10/569060710.db2.gz SNASLBQGUSGXED-UHFFFAOYSA-N 0 0 423.444 4.169 50 30 HIEARN N#Cc1ccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)cc1 ZINC000006510777 569062229 /nfs/dbraw/zinc/06/22/29/569062229.db2.gz IASUKUOTANNBJE-UHFFFAOYSA-N 0 0 411.508 4.222 50 30 HIEARN C=CCN(C(=O)c1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@@H]3C2=O)c1)c1ccccc1 ZINC000169300556 569065899 /nfs/dbraw/zinc/06/58/99/569065899.db2.gz OWIRVDYTDOCNAH-YHYVQYDKSA-N 0 0 400.478 4.221 50 30 HIEARN C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1cc(F)ccc1F)CC2 ZINC000064754515 569089657 /nfs/dbraw/zinc/08/96/57/569089657.db2.gz JNTBVCWRSOOIHZ-UHFFFAOYSA-N 0 0 422.431 4.363 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)c(OC)c1 ZINC000006728413 569102266 /nfs/dbraw/zinc/10/22/66/569102266.db2.gz LZALQTAHEYOHQU-NRFANRHFSA-N 0 0 409.482 4.247 50 30 HIEARN COc1ccc(-c2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)cc1OC ZINC000006755374 569112204 /nfs/dbraw/zinc/11/22/04/569112204.db2.gz FLVLYPJAXPQKDA-UHFFFAOYSA-N 0 0 405.328 4.398 50 30 HIEARN N#CCCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1 ZINC000006808419 569132562 /nfs/dbraw/zinc/13/25/62/569132562.db2.gz AUGBAANDXPNNPL-UHFFFAOYSA-N 0 0 408.504 4.263 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000006813680 569136914 /nfs/dbraw/zinc/13/69/14/569136914.db2.gz OSJQPTAIBQRBOX-HNAYVOBHSA-N 0 0 415.848 4.236 50 30 HIEARN CCCN([C@H](C)c1ccccc1Br)S(=O)(=O)c1cccc(C#N)c1 ZINC000036391191 569166301 /nfs/dbraw/zinc/16/63/01/569166301.db2.gz CSTPQBPLKDJKIW-CQSZACIVSA-N 0 0 407.333 4.483 50 30 HIEARN N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(N3CCCCCC3)o2)cc1 ZINC000065209284 569195418 /nfs/dbraw/zinc/19/54/18/569195418.db2.gz QWYSETGDWJCOLP-OAQYLSRUSA-N 0 0 415.497 4.035 50 30 HIEARN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000170596668 569241786 /nfs/dbraw/zinc/24/17/86/569241786.db2.gz ITTYZARZFWMUKB-HNNXBMFYSA-N 0 0 413.436 4.464 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000170618963 569248227 /nfs/dbraw/zinc/24/82/27/569248227.db2.gz ITUJWNKISUIQGX-OFNKIYASSA-N 0 0 410.466 4.032 50 30 HIEARN C=CCNC(=S)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000013784309 569257590 /nfs/dbraw/zinc/25/75/90/569257590.db2.gz YDRUVNIOZYCBKC-UHFFFAOYSA-N 0 0 414.383 4.026 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1F ZINC000006309436 569279777 /nfs/dbraw/zinc/27/97/77/569279777.db2.gz ISLPZGOYNCQAFU-OAQYLSRUSA-N 0 0 402.425 4.308 50 30 HIEARN COc1ccccc1/C=C1\Oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2C1=O ZINC000002103652 569281787 /nfs/dbraw/zinc/28/17/87/569281787.db2.gz YYMYZZKBYIESRW-YVNNLAQVSA-N 0 0 416.385 4.259 50 30 biogenic HIEARN Cc1c(Cc2ccccc2)sc(N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)c1C(N)=O ZINC000252459955 569286623 /nfs/dbraw/zinc/28/66/23/569286623.db2.gz AKCPUGYDNIONRY-UHFFFAOYSA-N 0 0 423.450 4.134 50 30 HIEARN COc1ccc(C=Nn2c(COc3c(C)cccc3C)nc3ccccc3c2=O)cc1 ZINC000252588849 569294889 /nfs/dbraw/zinc/29/48/89/569294889.db2.gz AFABQHWGSKVXEU-UHFFFAOYSA-N 0 0 413.477 4.483 50 30 HIEARN O=c1c2ccccc2nc2c3ccccc3c(NN=Cc3c[nH]c4ccccc34)nn12 ZINC000252613503 569300929 /nfs/dbraw/zinc/30/09/29/569300929.db2.gz JCKTTWIFPBDEOA-UHFFFAOYSA-N 0 0 404.433 4.323 50 30 HIEARN CCOC(=O)COc1c(Br)cc(C=NNc2ccc(C)cc2)cc1OC ZINC000252624925 569309859 /nfs/dbraw/zinc/30/98/59/569309859.db2.gz PYHDTYJKDWFJLF-UHFFFAOYSA-N 0 0 421.291 4.154 50 30 HIEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccccc3S(C)(=O)=O)n2)c1C ZINC000007787254 569310578 /nfs/dbraw/zinc/31/05/78/569310578.db2.gz XWSXTHSHANXOSD-UHFFFAOYSA-N 0 0 415.540 4.070 50 30 HIEARN CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252629428 569311436 /nfs/dbraw/zinc/31/14/36/569311436.db2.gz UFQPFUUVYXYCTG-NPPZMEKISA-N 0 0 409.511 4.163 50 30 HIEARN COc1ccc([C@H](C#N)Cc2cc(OC)c(OC)cc2Br)cc1OC ZINC000002266602 569325785 /nfs/dbraw/zinc/32/57/85/569325785.db2.gz FTSDHBCSXQKJCU-AWEZNQCLSA-N 0 0 406.276 4.333 50 30 HIEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)c(OC)c1 ZINC000253408260 569366266 /nfs/dbraw/zinc/36/62/66/569366266.db2.gz KOIZCYYLJZPSHB-BCUAHEQISA-N 0 0 418.401 4.354 50 30 HIEARN CCCCCCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000002306205 569372383 /nfs/dbraw/zinc/37/23/83/569372383.db2.gz GDNFALKDUOUBJT-UHFFFAOYSA-N 0 0 414.575 4.119 50 30 HIEARN CCOc1ccc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)c(C#N)cc2c1 ZINC000000649528 569383924 /nfs/dbraw/zinc/38/39/24/569383924.db2.gz ZLBRGEWSZMYGNB-UHFFFAOYSA-N 0 0 421.478 4.023 50 30 HIEARN N#Cc1ccc(-c2ccc3c(c2)OCO3)nc1SCC(=O)Nc1cccc(F)c1 ZINC000000662206 569384011 /nfs/dbraw/zinc/38/40/11/569384011.db2.gz UFBIRLAYXABPPH-UHFFFAOYSA-N 0 0 407.426 4.219 50 30 HIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)Cc2ccc(Cl)s2)c1C#N ZINC000007458139 569388713 /nfs/dbraw/zinc/38/87/13/569388713.db2.gz ZPYDIWJQCSQLNT-UHFFFAOYSA-N 0 0 416.934 4.403 50 30 HIEARN Cc1ccc([C@H](CNc2oc(-c3ccccc3F)nc2C#N)N2CCOCC2)cc1 ZINC000027793541 569395292 /nfs/dbraw/zinc/39/52/92/569395292.db2.gz VIWSCIVFTARIBD-NRFANRHFSA-N 0 0 406.461 4.146 50 30 HIEARN N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@H](c1ccco1)N1CCOCC1 ZINC000027795055 569395295 /nfs/dbraw/zinc/39/52/95/569395295.db2.gz NBBUNBFPLLPMFU-OAQYLSRUSA-N 0 0 414.465 4.445 50 30 HIEARN COc1ccc(CCNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1OC ZINC000002417292 569397397 /nfs/dbraw/zinc/39/73/97/569397397.db2.gz DFDNVOMTJRQFAJ-UHFFFAOYSA-N 0 0 413.861 4.450 50 30 HIEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O ZINC000011868761 569399063 /nfs/dbraw/zinc/39/90/63/569399063.db2.gz ZBRQOGPJBXJGMF-MTJSOVHGSA-N 0 0 417.373 4.439 50 30 HIEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000012997684 569406461 /nfs/dbraw/zinc/40/64/61/569406461.db2.gz QTRIXGXGKRJZLY-OAQYLSRUSA-N 0 0 400.503 4.391 50 30 HIEARN N#Cc1cc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1N ZINC000018240445 569413970 /nfs/dbraw/zinc/41/39/70/569413970.db2.gz WPKQEGBHKAUSDG-UHFFFAOYSA-N 0 0 415.503 4.329 50 30 HIEARN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2cnn(-c3ccccc3)c2)C(C)(C)C1 ZINC000328589536 569414744 /nfs/dbraw/zinc/41/47/44/569414744.db2.gz ZHQYBXJILBQSIU-IBGZPJMESA-N 0 0 412.534 4.407 50 30 HIEARN COc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1OC ZINC000079352356 569430562 /nfs/dbraw/zinc/43/05/62/569430562.db2.gz PJZUIKGVEKVCRE-OAQYLSRUSA-N 0 0 402.450 4.277 50 30 HIEARN C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000039037278 571102307 /nfs/dbraw/zinc/10/23/07/571102307.db2.gz SSFVOEAXHZGTRJ-KRWDZBQOSA-N 0 0 416.758 4.138 50 30 in-vivo HIEARN CO/N=C/NC(=O)[C@@H](c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F ZINC000008781952 571119279 /nfs/dbraw/zinc/11/92/79/571119279.db2.gz MNFZQTLWCPOZBN-HNNXBMFYSA-N 0 0 422.794 4.140 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccco2)o1 ZINC000008845237 571125418 /nfs/dbraw/zinc/12/54/18/571125418.db2.gz OTGQWGNUVQDSLN-SPLOXXLWSA-N 0 0 419.433 4.283 50 30 HIEARN CC(=O)c1c(C)nc(C)nc1SCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000040050093 571143923 /nfs/dbraw/zinc/14/39/23/571143923.db2.gz GYZCWXFJNFUZLI-UHFFFAOYSA-N 0 0 414.556 4.229 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009019639 571211876 /nfs/dbraw/zinc/21/18/76/571211876.db2.gz YLXRWNZLMJFFAH-HXUWFJFHSA-N 0 0 418.405 4.275 50 30 HIEARN Cc1occc1-c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccccc1 ZINC000009127442 571226944 /nfs/dbraw/zinc/22/69/44/571226944.db2.gz RZDJFEFIYQUPBT-UHFFFAOYSA-N 0 0 421.507 4.500 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009134433 571229360 /nfs/dbraw/zinc/22/93/60/571229360.db2.gz BMEHEIBXTRXRTL-UHFFFAOYSA-N 0 0 424.309 4.420 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@H]2c1cccnc1 ZINC000009348563 571250495 /nfs/dbraw/zinc/25/04/95/571250495.db2.gz QOGZUGWXCYPMBO-IBGZPJMESA-N 0 0 423.476 4.354 50 30 HIEARN N#Cc1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000009597190 571272526 /nfs/dbraw/zinc/27/25/26/571272526.db2.gz JOJWFQSOBLXHDZ-UHFFFAOYSA-N 0 0 416.277 4.391 50 30 HIEARN COc1cccc2cc(-c3csc([N-]/[NH+]=C/c4ccc(N(C)C)cc4)n3)c(=O)oc21 ZINC000008974302 571309591 /nfs/dbraw/zinc/30/95/91/571309591.db2.gz GEYAMZXDKBUQBK-FSJBWODESA-N 0 0 420.494 4.437 50 30 HIEARN COc1cc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)ccc1OCC#N ZINC000002662096 845007930 /nfs/dbraw/zinc/00/79/30/845007930.db2.gz UFPRYLPMHBPJED-CSKARUKUSA-N 0 0 406.463 4.478 50 30 HIEARN Cc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(C)n1Cc1ccco1 ZINC000005671538 845135093 /nfs/dbraw/zinc/13/50/93/845135093.db2.gz GWJMSIFFJHUEMI-BBVFFXRHSA-N 0 0 417.465 4.202 50 30 HIEARN O=C1N/C(=N\C2CCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000006082743 845168704 /nfs/dbraw/zinc/16/87/04/845168704.db2.gz QEXGCPNKLYASSP-MOSHPQCFSA-N 0 0 415.522 4.437 50 30 HIEARN COc1cc(C(=O)/C=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000006320039 845189761 /nfs/dbraw/zinc/18/97/61/845189761.db2.gz NGNQLQXYTQBFFG-VQHVLOKHSA-N 0 0 412.442 4.117 50 30 HIEARN COc1cc2c(cc1OC)CN(C(=O)/C=C/c1cn(CCC#N)c3ccccc13)CC2 ZINC000008344173 845516755 /nfs/dbraw/zinc/51/67/55/845516755.db2.gz RFVIXCDXGNKKED-CMDGGOBGSA-N 0 0 415.493 4.170 50 30 HIEARN O=S(=O)(N=C(Nc1ccc2c(c1)OCO2)c1ccccc1Cl)c1cccs1 ZINC000012599985 845878147 /nfs/dbraw/zinc/87/81/47/845878147.db2.gz FNARLMNDUPGZBL-UHFFFAOYSA-N 0 0 420.899 4.378 50 30 HIEARN COc1ccc(N(C(C)=O)C2=C(NC3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000019638523 846370275 /nfs/dbraw/zinc/37/02/75/846370275.db2.gz SEWKQCCAHAUXBB-UHFFFAOYSA-N 0 0 418.493 4.261 50 30 HIEARN COc1cc(Br)c(/C=C\C(=O)c2ccc3c(c2)OCCCO3)cc1O ZINC000096766094 852555083 /nfs/dbraw/zinc/55/50/83/852555083.db2.gz VMTSATPHSLIGLA-HYXAFXHYSA-N 0 0 405.244 4.221 50 30 HIEARN O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000096759367 852555275 /nfs/dbraw/zinc/55/52/75/852555275.db2.gz CNZSECSAXZPLBK-TWGQIWQCSA-N 0 0 420.292 4.127 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)/C=C\c3ccc(-c4ccccc4F)o3)CC2)cc1 ZINC000096841618 852556204 /nfs/dbraw/zinc/55/62/04/852556204.db2.gz RPZOJRCJAONAKX-BENRWUELSA-N 0 0 415.468 4.315 50 30 HIEARN CCN(CC)S(=O)(=O)c1cccc(C(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 ZINC000096834739 852556323 /nfs/dbraw/zinc/55/63/23/852556323.db2.gz KCIHGOYYVGCCKT-JWGURIENSA-N 0 0 412.555 4.211 50 30 HIEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1OC(C)C ZINC000096920195 852558119 /nfs/dbraw/zinc/55/81/19/852558119.db2.gz XKENNQMMHKDZMF-XQRVVYSFSA-N 0 0 401.846 4.363 50 30 HIEARN COc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1O ZINC000097998976 852649112 /nfs/dbraw/zinc/64/91/12/852649112.db2.gz BFRFNIRNPUWVDP-FPLPWBNLSA-N 0 0 416.271 4.186 50 30 HIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000102408522 852664421 /nfs/dbraw/zinc/66/44/21/852664421.db2.gz KGGBQCZYPBTKRJ-XDHOZWIPSA-N 0 0 415.522 4.479 50 30 HIEARN O=C1N/C(=N\N=Cc2ccc(F)cc2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000245284178 854155832 /nfs/dbraw/zinc/15/58/32/854155832.db2.gz QHWJRJPFMQBEOP-HNNXBMFYSA-N 0 0 409.458 4.305 50 30 HIEARN COc1cc(C=NOCC(=O)NC(C)(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000254315920 854210375 /nfs/dbraw/zinc/21/03/75/854210375.db2.gz DXIOKYGYXOXRHW-UHFFFAOYSA-N 0 0 404.894 4.193 50 30 HIEARN CCn1c2ccccc2c2cc(C=NNS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000254816126 854214903 /nfs/dbraw/zinc/21/49/03/854214903.db2.gz BTEAAYMDYZKSRO-UHFFFAOYSA-N 0 0 422.466 4.035 50 30 HIEARN C(=[NH+][N-]c1nncc2ccccc21)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000254835788 854215394 /nfs/dbraw/zinc/21/53/94/854215394.db2.gz QILQHSDIFRAWLS-UHFFFAOYSA-N 0 0 416.510 4.036 50 30 HIEARN N#Cc1cccc(CN2C(=O)N(c3ccc(F)cc3)S(=O)(=O)c3ccccc32)c1 ZINC000009664546 132342197 /nfs/dbraw/zinc/34/21/97/132342197.db2.gz DPRXYNQXGKTCKN-UHFFFAOYSA-N 0 0 407.426 4.033 50 30 HIEARN Cc1ccc(N2C(=O)N(Cc3ccc(C#N)cc3)c3ccccc3S2(=O)=O)cc1F ZINC000009664533 132342200 /nfs/dbraw/zinc/34/22/00/132342200.db2.gz PYWBPFBNDPGEIP-UHFFFAOYSA-N 0 0 421.453 4.341 50 30 HIEARN C#CCN1c2ccc(C)cc2[C@@]2(CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)C1=O ZINC000032103290 518270203 /nfs/dbraw/zinc/27/02/03/518270203.db2.gz UQLHAEIPMNFPPN-HSZRJFAPSA-N 0 0 416.868 4.092 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccco2)c1 ZINC000032739456 518818543 /nfs/dbraw/zinc/81/85/43/518818543.db2.gz IIYXYILXWJNAHP-KRWDZBQOSA-N 0 0 410.495 4.152 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccc3cc(OC)ccc3n2)S/C1=N\c1nccs1 ZINC000054361111 518827288 /nfs/dbraw/zinc/82/72/88/518827288.db2.gz IAVQZPFTSDUAEZ-NSMLSGJHSA-N 0 0 408.508 4.490 50 30 HIEARN C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OCCC)cc1 ZINC000020353781 518837302 /nfs/dbraw/zinc/83/73/02/518837302.db2.gz LZCZFKULMAZISI-NRFANRHFSA-N 0 0 421.497 4.136 50 30 HIEARN C=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3Cc2ccccc2Cl)c2ccccc21 ZINC000032095577 518844612 /nfs/dbraw/zinc/84/46/12/518844612.db2.gz OTPKJODNXHPNLO-QHCPKHFHSA-N 0 0 418.884 4.395 50 30 HIEARN C=CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2cccc(F)c2)c2cccc(C)c21 ZINC000032097303 518848621 /nfs/dbraw/zinc/84/86/21/518848621.db2.gz PLRSJSAOWYXUBC-HSZRJFAPSA-N 0 0 402.429 4.130 50 30 HIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1OC ZINC000037547348 518886295 /nfs/dbraw/zinc/88/62/95/518886295.db2.gz QKVFHYDMNJXNQR-UHFFFAOYSA-N 0 0 409.461 4.356 50 30 HIEARN C=CCNc1nc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)cs1 ZINC000024794282 518964022 /nfs/dbraw/zinc/96/40/22/518964022.db2.gz SALJGICHUKKZJT-HNNXBMFYSA-N 0 0 413.499 4.229 50 30 HIEARN C=CCOc1cccc2c1cc(C(=O)N1CCN(CC)CC1)n2Cc1ccccc1C ZINC000035927748 519064265 /nfs/dbraw/zinc/06/42/65/519064265.db2.gz IGKUWGDISBZFLR-UHFFFAOYSA-N 0 0 417.553 4.341 50 30 HIEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000011340488 519153910 /nfs/dbraw/zinc/15/39/10/519153910.db2.gz UHBUCNAKAZWEIB-UHFFFAOYSA-N 0 0 422.535 4.050 50 30 HIEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCC[S@@](=O)c1ccccc1 ZINC000032933408 519154631 /nfs/dbraw/zinc/15/46/31/519154631.db2.gz VIGDPYSHKWBJLE-MHZLTWQESA-N 0 0 416.593 4.421 50 30 HIEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)N1CCCCCC1)CCCC3 ZINC000001100409 519159325 /nfs/dbraw/zinc/15/93/25/519159325.db2.gz JRFHYCYPCSCMRH-UHFFFAOYSA-N 0 0 417.600 4.018 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)C(C)(C)C ZINC000013689406 519167361 /nfs/dbraw/zinc/16/73/61/519167361.db2.gz QPWRWNMHMDXVBC-UHFFFAOYSA-N 0 0 404.532 4.117 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccncc1 ZINC000006905084 519217343 /nfs/dbraw/zinc/21/73/43/519217343.db2.gz ARECEPNXWDJMSV-UHFFFAOYSA-N 0 0 403.870 4.049 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccnc1 ZINC000008471313 519217799 /nfs/dbraw/zinc/21/77/99/519217799.db2.gz SNQIUCGOUSCZGG-UHFFFAOYSA-N 0 0 403.870 4.049 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc([C@@H](C)NC(C)=O)cc2)nnc1-c1ccoc1C ZINC000024509810 519231556 /nfs/dbraw/zinc/23/15/56/519231556.db2.gz NILHDJOFDQRAJW-CQSZACIVSA-N 0 0 424.526 4.205 50 30 HIEARN C=CCn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C ZINC000036392754 519235438 /nfs/dbraw/zinc/23/54/38/519235438.db2.gz ROSPIJPTBBMFKJ-UHFFFAOYSA-N 0 0 423.947 4.252 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccc(C)cc1 ZINC000009303750 519251678 /nfs/dbraw/zinc/25/16/78/519251678.db2.gz BLTJJBVKYTYIOT-HNNXBMFYSA-N 0 0 422.510 4.288 50 30 HIEARN C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccco1 ZINC000023201972 519253370 /nfs/dbraw/zinc/25/33/70/519253370.db2.gz SJYUYMXSSJXTJG-LBPRGKRZSA-N 0 0 413.528 4.492 50 30 HIEARN CCCCCCCCCC(=O)N(CCC)CC(=O)N(CCOC)Cc1cccn1C ZINC000098017479 519975725 /nfs/dbraw/zinc/97/57/25/519975725.db2.gz IQDZEBHERVTHLP-UHFFFAOYSA-N 0 0 421.626 4.379 50 30 HIEARN CCCCCCCCCn1c(N=NC(C)CCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097968813 520032161 /nfs/dbraw/zinc/03/21/61/520032161.db2.gz LDDFPIKNRBANAA-JLPGSUDCSA-N 0 0 404.559 4.152 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccncc1 ZINC000019830829 520497986 /nfs/dbraw/zinc/49/79/86/520497986.db2.gz BKMFVQKUGFSMRM-WZONZLPQSA-N 0 0 418.493 4.015 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036257842 520535552 /nfs/dbraw/zinc/53/55/52/520535552.db2.gz GLJCZIHDPOHVLI-LDADJPATSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2ccc(O)cc2OC)C1=O ZINC000036258295 520536407 /nfs/dbraw/zinc/53/64/07/520536407.db2.gz BFHNCSXJAOQAGM-WOJGMQOQSA-N 0 0 411.479 4.253 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2cccc(OC)c2O)C1=O ZINC000036258457 520536441 /nfs/dbraw/zinc/53/64/41/520536441.db2.gz JCVMXRSXDXVFMI-MHWRWJLKSA-N 0 0 415.442 4.084 50 30 HIEARN CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2cc(O)ccc2O)C1=O ZINC000036258204 520537869 /nfs/dbraw/zinc/53/78/69/520537869.db2.gz KWDCJQGSXFMUMS-CXUHLZMHSA-N 0 0 417.870 4.295 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 ZINC000033375744 520788521 /nfs/dbraw/zinc/78/85/21/520788521.db2.gz HWPPNPCIKNEPFK-JWGURIENSA-N 0 0 412.555 4.211 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000001062913 520817148 /nfs/dbraw/zinc/81/71/48/520817148.db2.gz REFXNPCYFLRUJG-WMZHIEFXSA-N 0 0 402.494 4.395 50 30 HIEARN CCOc1ccc(NC(=NC(=O)c2ccccc2C)NCc2c(C)nn(C)c2C)cc1 ZINC000032972664 521031916 /nfs/dbraw/zinc/03/19/16/521031916.db2.gz STZVFENVJAVBNW-UHFFFAOYSA-N 0 0 419.529 4.142 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1ccc(Cl)cc1 ZINC000013424086 521522646 /nfs/dbraw/zinc/52/26/46/521522646.db2.gz DKTNAOADLXJMQX-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN COc1cc(Br)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1O ZINC000033293491 522024073 /nfs/dbraw/zinc/02/40/73/522024073.db2.gz QHBUGRIRUXCHFM-VGOFMYFVSA-N 0 0 423.263 4.194 50 30 HIEARN COCCn1c(SCCC#N)nc2scc(-c3ccccc3Cl)c2c1=O ZINC000009141140 522072668 /nfs/dbraw/zinc/07/26/68/522072668.db2.gz QHAGWTRDPKJOJD-UHFFFAOYSA-N 0 0 405.932 4.431 50 30 HIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(C(C)=O)s3)c2)c1 ZINC000013007240 522191639 /nfs/dbraw/zinc/19/16/39/522191639.db2.gz PDQNHXJJNDZSHA-UHFFFAOYSA-N 0 0 403.459 4.389 50 30 HIEARN CC[C@@H](C)c1ccc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000017081889 522428034 /nfs/dbraw/zinc/42/80/34/522428034.db2.gz CTXJCTBCGNUMBG-JMKVTYIUSA-N 0 0 400.479 4.042 50 30 HIEARN COc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000100539319 522952316 /nfs/dbraw/zinc/95/23/16/522952316.db2.gz AQEXSXNFGRHZJX-QFIPXVFZSA-N 0 0 424.541 4.017 50 30 HIEARN COc1ccc(/C=C\C(=O)C(C(=O)NC2CCCCC2)=C2SCCS2)cc1 ZINC000033502785 523429871 /nfs/dbraw/zinc/42/98/71/523429871.db2.gz JFYKXHTXYBYBTD-XFXZXTDPSA-N 0 0 403.569 4.418 50 30 HIEARN COc1ccc(/C=N\N2CCN(c3ccccc3)CC2)cc1OCc1ccccc1 ZINC000031841349 523459294 /nfs/dbraw/zinc/45/92/94/523459294.db2.gz NBPSQKZFSHNIKL-XHPQRKPJSA-N 0 0 401.510 4.430 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1F ZINC000026458917 523565406 /nfs/dbraw/zinc/56/54/06/523565406.db2.gz YUOSHBOVYMRKHX-HXUWFJFHSA-N 0 0 407.397 4.206 50 30 HIEARN COc1ccc(C(=O)C2=CN(c3cccc(OC)c3)c3ccccc3S2(=O)=O)cc1 ZINC000032984189 523571878 /nfs/dbraw/zinc/57/18/78/523571878.db2.gz RESNKCKMJJOVQO-UHFFFAOYSA-N 0 0 421.474 4.354 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2cccc(C)c2)Nc2ccccc2)c1C ZINC000032973127 523635453 /nfs/dbraw/zinc/63/54/53/523635453.db2.gz MIQBXYQNPHSYIM-UHFFFAOYSA-N 0 0 403.530 4.269 50 30 HIEARN CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccccc2)c1C ZINC000032973133 523635747 /nfs/dbraw/zinc/63/57/47/523635747.db2.gz CTMAOCDPVMCWDR-UHFFFAOYSA-N 0 0 421.520 4.408 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccc(OC)cc2)Nc2cccc(C)c2)c1C ZINC000032972251 523639649 /nfs/dbraw/zinc/63/96/49/523639649.db2.gz SQXSFLVGNSDWEB-UHFFFAOYSA-N 0 0 419.529 4.235 50 30 HIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1c[nH]c2ccccc21 ZINC000012385020 523669882 /nfs/dbraw/zinc/66/98/82/523669882.db2.gz ONOKTFYAQLOIIC-XOJPMGEXSA-N 0 0 401.466 4.399 50 30 HIEARN CCc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000032575552 523860039 /nfs/dbraw/zinc/86/00/39/523860039.db2.gz WYSCRHKBLDDWKG-JJFYIABZSA-N 0 0 423.325 4.258 50 30 HIEARN CCc1ccc(OCc2cc(/C=N\NS(=O)(=O)c3ccccc3)ccc2OC)cc1 ZINC000030860479 524006679 /nfs/dbraw/zinc/00/66/79/524006679.db2.gz NCGYWSQJIOTLTQ-JLPGSUDCSA-N 0 0 424.522 4.149 50 30 HIEARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000040288060 524130426 /nfs/dbraw/zinc/13/04/26/524130426.db2.gz SXFPEJWRKIBECI-VLIAUNLRSA-N 0 0 406.417 4.197 50 30 HIEARN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2c(Cl)cccc2Cl)S1 ZINC000016695954 524323491 /nfs/dbraw/zinc/32/34/91/524323491.db2.gz PQRSHJYJOXJVSL-PPAWOMOGSA-N 0 0 408.310 4.166 50 30 HIEARN COc1ccccc1OCCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000027023286 524676289 /nfs/dbraw/zinc/67/62/89/524676289.db2.gz PHHRGNPVZTWCHZ-JJIBRWJFSA-N 0 0 421.522 4.474 50 30 HIEARN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2c(C(=O)Nc3ccccc3)cnn21 ZINC000064874197 524746051 /nfs/dbraw/zinc/74/60/51/524746051.db2.gz DZEZMTOSGQWEJR-JOCHJYFZSA-N 0 0 414.465 4.166 50 30 HIEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(F)cc3)S2)cc1Cl ZINC000100263811 525197646 /nfs/dbraw/zinc/19/76/46/525197646.db2.gz DORWPSXQVJJCFH-CULCSUMMSA-N 0 0 405.882 4.378 50 30 HIEARN CS(=O)(=O)Nc1cc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)ccc1F ZINC000025670324 525215193 /nfs/dbraw/zinc/21/51/93/525215193.db2.gz NUURSNOCGUUBPT-AWEZNQCLSA-N 0 0 424.519 4.105 50 30 HIEARN COc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000027547883 525384839 /nfs/dbraw/zinc/38/48/39/525384839.db2.gz ISSKFLZNMFPEJC-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN Cc1ccc(-c2cc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c3ccccc3n2)o1 ZINC000032905256 525721563 /nfs/dbraw/zinc/72/15/63/525721563.db2.gz YPXPABRRGVZHJW-UHFFFAOYSA-N 0 0 423.476 4.032 50 30 HIEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c1OC ZINC000020611224 525768899 /nfs/dbraw/zinc/76/88/99/525768899.db2.gz JSRUEBJBIBOHNI-PJMHOZITSA-N 0 0 409.482 4.400 50 30 HIEARN Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1Cl ZINC000013686261 525972006 /nfs/dbraw/zinc/97/20/06/525972006.db2.gz XEZWVLOSARPKIF-BWORXHKJSA-N 0 0 405.882 4.378 50 30 HIEARN C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000022132728 526009945 /nfs/dbraw/zinc/00/99/45/526009945.db2.gz JMGHUWGHODGRLD-KBVGCWLLSA-N 0 0 410.465 4.195 50 30 HIEARN COc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)c1 ZINC000032984323 526142174 /nfs/dbraw/zinc/14/21/74/526142174.db2.gz BHDSIZLWHQWEEA-UHFFFAOYSA-N 0 0 409.438 4.484 50 30 HIEARN N#CC1(NC(=O)COC(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CCCCCC1 ZINC000024769787 526435539 /nfs/dbraw/zinc/43/55/39/526435539.db2.gz SBEQIDHDBMMWLB-SDNWHVSQSA-N 0 0 423.557 4.356 50 30 HIEARN N#CCCN(Cc1ccco1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000019316652 526457955 /nfs/dbraw/zinc/45/79/55/526457955.db2.gz OMZXKKXLQXVNMT-UHFFFAOYSA-N 0 0 422.868 4.485 50 30 HIEARN N#CCC[C@H](C#N)Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O ZINC000024989901 526464473 /nfs/dbraw/zinc/46/44/73/526464473.db2.gz WKGLZZNDOILURN-CQSZACIVSA-N 0 0 407.271 4.270 50 30 HIEARN N#CCN(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000023866652 526468871 /nfs/dbraw/zinc/46/88/71/526468871.db2.gz KPVKJHUJYGCOFG-UHFFFAOYSA-N 0 0 409.294 4.185 50 30 HIEARN N#Cc1c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cn2ccccc12 ZINC000032871589 526518801 /nfs/dbraw/zinc/51/88/01/526518801.db2.gz CQSJUBJOGNLZOU-UHFFFAOYSA-N 0 0 419.838 4.200 50 30 HIEARN N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CSc1nccn1C1CC1)CCCC2 ZINC000032331221 526531199 /nfs/dbraw/zinc/53/11/99/526531199.db2.gz SFJFILUFOAOJFS-UHFFFAOYSA-N 0 0 417.538 4.490 50 30 HIEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NCc1ccco1 ZINC000020503258 526827898 /nfs/dbraw/zinc/82/78/98/526827898.db2.gz HJNKOSYASXICPJ-DEOSSOPVSA-N 0 0 417.465 4.169 50 30 HIEARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CN(CC2CC2)C/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000097284862 526941145 /nfs/dbraw/zinc/94/11/45/526941145.db2.gz ZOXHABRPYOYZME-LQGKIZFRSA-N 0 0 419.437 4.265 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3cccnc3)C12 ZINC000096319738 526968616 /nfs/dbraw/zinc/96/86/16/526968616.db2.gz KUKZCCAJDPGMJA-LJQANCHMSA-N 0 0 407.474 4.127 50 30 HIEARN Cc1nc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c(C#N)c(C)c1C ZINC000007188890 527022964 /nfs/dbraw/zinc/02/29/64/527022964.db2.gz YHSYYPZJSAWKMD-OAHLLOKOSA-N 0 0 408.527 4.123 50 30 HIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000018255127 527042291 /nfs/dbraw/zinc/04/22/91/527042291.db2.gz OJPZROHXWAVZTN-LDADJPATSA-N 0 0 408.414 4.416 50 30 HIEARN O=C1[C@@H](c2ccccc2)SC(=Nc2ccccc2)N1S(=O)(=O)c1ccccc1 ZINC000254556534 527108369 /nfs/dbraw/zinc/10/83/69/527108369.db2.gz GXJKSVVWQRWBMW-LJQANCHMSA-N 0 0 408.504 4.380 50 30 aggregator HIEARN O=C1c2ccccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1ccc(F)cc1 ZINC000020558872 527133268 /nfs/dbraw/zinc/13/32/68/527133268.db2.gz DTZRTWGPWBTKNA-KGENOOAVSA-N 0 0 408.454 4.312 50 30 HIEARN O=C1c2ccccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1ccccc1F ZINC000020558868 527133373 /nfs/dbraw/zinc/13/33/73/527133373.db2.gz SGWNPQQOXYEUDA-KGENOOAVSA-N 0 0 408.454 4.312 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccccc1)Nc1cc(C)cc(C)c1 ZINC000032973692 527623546 /nfs/dbraw/zinc/62/35/46/527623546.db2.gz IJQUHAMDFYWNQI-UHFFFAOYSA-N 0 0 403.530 4.094 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)cc1)Nc1cc(C)cc(C)c1 ZINC000032972698 527627505 /nfs/dbraw/zinc/62/75/05/527627505.db2.gz ZINBKWSTKBZXCA-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN O=C(NCCCCc1ccccc1)c1ccc(NN=C2C(=O)Nc3ccccc32)cc1 ZINC000022673791 527655477 /nfs/dbraw/zinc/65/54/77/527655477.db2.gz XGYHOSAPVJXENG-UHFFFAOYSA-N 0 0 412.493 4.208 50 30 HIEARN COc1ccc(N2CCN(c3oc(COc4cccc(Cl)c4)nc3C#N)CC2)cc1 ZINC000004074951 536703910 /nfs/dbraw/zinc/70/39/10/536703910.db2.gz FTLVXHICMYWMQU-UHFFFAOYSA-N 0 0 424.888 4.114 50 30 HIEARN COc1ccc(/C=N/n2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC ZINC000000719398 557069371 /nfs/dbraw/zinc/06/93/71/557069371.db2.gz QEOWRGVRLAUYCM-WYMPLXKRSA-N 0 0 405.479 4.333 50 30 HIEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000000849275 557100498 /nfs/dbraw/zinc/10/04/98/557100498.db2.gz SBCWTFVNFNTVLJ-DVCONVQISA-N 0 0 417.918 4.329 50 30 HIEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000001062906 557165071 /nfs/dbraw/zinc/16/50/71/557165071.db2.gz REFXNPCYFLRUJG-XXBNENTESA-N 0 0 402.494 4.395 50 30 HIEARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000001175956 557227495 /nfs/dbraw/zinc/22/74/95/557227495.db2.gz FRIRHACJHQDQRN-OAQYLSRUSA-N 0 0 421.428 4.341 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001201719 557239751 /nfs/dbraw/zinc/23/97/51/557239751.db2.gz ZFTRXPQENLFWAQ-VGSWGCGISA-N 0 0 418.449 4.129 50 30 HIEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)S2)cc1 ZINC000001409388 557259099 /nfs/dbraw/zinc/25/90/99/557259099.db2.gz LOXFKSOAUXKBQT-MHWRWJLKSA-N 0 0 404.875 4.345 50 30 HIEARN CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OC)cc3C2=O)cc1 ZINC000002027588 557299746 /nfs/dbraw/zinc/29/97/46/557299746.db2.gz XUTZLPZRDNEEID-UHFFFAOYSA-N 0 0 423.465 4.401 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl ZINC000002055134 557302146 /nfs/dbraw/zinc/30/21/46/557302146.db2.gz XNXYLFXHFDUXNG-KRWDZBQOSA-N 0 0 410.297 4.151 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC ZINC000002055369 557302383 /nfs/dbraw/zinc/30/23/83/557302383.db2.gz CIKOJUMGHPVOHB-FQEVSTJZSA-N 0 0 413.514 4.261 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000002063596 557305032 /nfs/dbraw/zinc/30/50/32/557305032.db2.gz FVRSFIMETMJNLJ-OAQYLSRUSA-N 0 0 413.514 4.261 50 30 HIEARN CCOC(=O)C(=NNc1ccccc1)C(=O)CSc1ccc(Br)cc1 ZINC000002066730 557305977 /nfs/dbraw/zinc/30/59/77/557305977.db2.gz SBYWDPWIBSWQOA-HEHNFIMWSA-N 0 0 421.316 4.142 50 30 HIEARN Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1Br)CCCC3 ZINC000002071721 557307222 /nfs/dbraw/zinc/30/72/22/557307222.db2.gz DCRXKQHZDBFXDM-KEBDBYFISA-N 0 0 402.317 4.290 50 30 HIEARN Cc1nn(-c2ccccc2)c2nc(OCC#N)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000002585227 557358474 /nfs/dbraw/zinc/35/84/74/557358474.db2.gz TZVXSCGPYDWOND-UHFFFAOYSA-N 0 0 410.393 4.078 50 30 HIEARN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccs3)ccc2O1 ZINC000004014746 557505310 /nfs/dbraw/zinc/50/53/10/557505310.db2.gz ILTGJUUOUMYSPI-XCLFUZPHSA-N 0 0 421.474 4.443 50 30 HIEARN CCOc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)ccc1O ZINC000004436359 557555348 /nfs/dbraw/zinc/55/53/48/557555348.db2.gz BJORXDNTJYJSGB-SFHVURJKSA-N 0 0 414.531 4.153 50 30 HIEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000004544049 557565285 /nfs/dbraw/zinc/56/52/85/557565285.db2.gz ZGJPZSCLCQVATJ-JJNABOQBSA-N 0 0 407.853 4.340 50 30 HIEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 ZINC000004776962 557596970 /nfs/dbraw/zinc/59/69/70/557596970.db2.gz YFHBNZGEOYAYIJ-BTYIYWSLSA-N 0 0 406.873 4.356 50 30 HIEARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3cccc(O)c3)C12 ZINC000004777008 557596976 /nfs/dbraw/zinc/59/69/76/557596976.db2.gz YYHBUJFTJALQQU-FQEVSTJZSA-N 0 0 404.495 4.298 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1[C@H]1CC=CCC1)c1ccc(Cl)cc1 ZINC000004913536 557613246 /nfs/dbraw/zinc/61/32/46/557613246.db2.gz NAEGYESWQJRDPV-UCLAIMLFSA-N 0 0 401.890 4.081 50 30 HIEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)ccc2OC)C3)cc1 ZINC000004914261 557613444 /nfs/dbraw/zinc/61/34/44/557613444.db2.gz MFVZCQOGOXURSR-UZLBHIALSA-N 0 0 421.493 4.107 50 30 HIEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]1CC2 ZINC000004957019 557617157 /nfs/dbraw/zinc/61/71/57/557617157.db2.gz VGCUCRYLWXVKLX-HQMQNYOWSA-N 0 0 405.454 4.420 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000004986680 557620881 /nfs/dbraw/zinc/62/08/81/557620881.db2.gz HPTSMVFAKQBASR-DOTOQJQBSA-N 0 0 411.885 4.362 50 30 HIEARN CCC1N=NC(=S)N1N=Cc1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000005576558 557662759 /nfs/dbraw/zinc/66/27/59/557662759.db2.gz RPIIMPSFGSQSJJ-VXLYETTFSA-N 0 0 404.337 4.181 50 30 HIEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OC)C1=C(CC(C)(C)CC1=O)N2 ZINC000005980673 557683481 /nfs/dbraw/zinc/68/34/81/557683481.db2.gz IQUUMFQBBYTOPS-MRXNPFEDSA-N 0 0 411.527 4.091 50 30 HIEARN CCOc1ccc([C@@H]2c3c(=O)[nH]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005997517 557683602 /nfs/dbraw/zinc/68/36/02/557683602.db2.gz IMFQBLQSKWRYTA-INIZCTEOSA-N 0 0 411.527 4.091 50 30 HIEARN CCOc1ccc([C@H]2c3c(=O)[nH]c(SC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000005997545 557683615 /nfs/dbraw/zinc/68/36/15/557683615.db2.gz IMFQBLQSKWRYTA-MRXNPFEDSA-N 0 0 411.527 4.091 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000005988085 557683720 /nfs/dbraw/zinc/68/37/20/557683720.db2.gz NHVZBCFWCROFPM-QGZVFWFLSA-N 0 0 406.265 4.218 50 30 HIEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006001534 557683886 /nfs/dbraw/zinc/68/38/86/557683886.db2.gz WDMJWKOKUSRYHF-MRXNPFEDSA-N 0 0 411.527 4.091 50 30 HIEARN N=C(N/N=C1\c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccccc1 ZINC000006111879 557687108 /nfs/dbraw/zinc/68/71/08/557687108.db2.gz BHWIBUSQOKXSAP-NJNXFGOHSA-N 0 0 400.507 4.395 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000008715684 557801287 /nfs/dbraw/zinc/80/12/87/557801287.db2.gz VPWVSDNNPXMRHO-SGTLLEGYSA-N 0 0 420.292 4.261 50 30 HIEARN COc1cc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc(OC)c1OC ZINC000008821182 557810550 /nfs/dbraw/zinc/81/05/50/557810550.db2.gz YNZGSWUBDPQABV-PXNMLYILSA-N 0 0 422.865 4.397 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009007508 557818675 /nfs/dbraw/zinc/81/86/75/557818675.db2.gz HGHAEKMRGQKFMZ-HXUWFJFHSA-N 0 0 421.884 4.205 50 30 HIEARN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000097544207 557819435 /nfs/dbraw/zinc/81/94/35/557819435.db2.gz KJKHGBHXOIFNCA-QHCPKHFHSA-N 0 0 403.457 4.173 50 30 HIEARN COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000009019387 557819930 /nfs/dbraw/zinc/81/99/30/557819930.db2.gz PJZMUDBCLLSIAF-SFHVURJKSA-N 0 0 421.371 4.212 50 30 HIEARN CSc1nc2n(n1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000009266683 557834145 /nfs/dbraw/zinc/83/41/45/557834145.db2.gz SAGOWZACXWLYDQ-OAHLLOKOSA-N 0 0 419.894 4.220 50 30 HIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000019818151 558288461 /nfs/dbraw/zinc/28/84/61/558288461.db2.gz CDVUGSZHAPPUFJ-JOCHJYFZSA-N 0 0 418.449 4.306 50 30 HIEARN Fc1ccc(Br)cc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019882196 558301287 /nfs/dbraw/zinc/30/12/87/558301287.db2.gz FELSYUPUGJRGQG-WSDLNYQXSA-N 0 0 410.718 4.393 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000019907280 558305940 /nfs/dbraw/zinc/30/59/40/558305940.db2.gz KHAISCFGBMCSKS-UZUQRXQVSA-N 0 0 421.468 4.369 50 30 HIEARN O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCC1 ZINC000020503238 558380921 /nfs/dbraw/zinc/38/09/21/558380921.db2.gz OASXAPUTGSRTKR-DEOSSOPVSA-N 0 0 405.498 4.319 50 30 HIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000020503200 558381020 /nfs/dbraw/zinc/38/10/20/558381020.db2.gz VPMJMDJLLSSUCP-DEOSSOPVSA-N 0 0 419.525 4.058 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 ZINC000013004484 558501589 /nfs/dbraw/zinc/50/15/89/558501589.db2.gz UFUNAIFVSOIFNC-OAQYLSRUSA-N 0 0 418.449 4.242 50 30 HIEARN C/N=C1/S/C(=C\c2cc(C)n(-c3ccccc3Br)c2C)C(=O)N1C ZINC000013286045 558529392 /nfs/dbraw/zinc/52/93/92/558529392.db2.gz PJGWMCHEQLDCML-NIQTYAIASA-N 0 0 404.333 4.389 50 30 HIEARN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)ccc1O ZINC000013482322 558534392 /nfs/dbraw/zinc/53/43/92/558534392.db2.gz CFFSWIJKYJMZAO-NJDIQBRYSA-N 0 0 422.481 4.022 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2ccccc2O)[C@@H]1N(O)C(=O)Nc1ccccc1 ZINC000013638817 558555298 /nfs/dbraw/zinc/55/52/98/558555298.db2.gz KFLUGPSBBUTIJA-DDLUMYACSA-N 0 0 416.528 4.088 50 30 HIEARN C=CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000013898723 558600974 /nfs/dbraw/zinc/60/09/74/558600974.db2.gz SBXSBIKECSKCTN-YDZHTSKRSA-N 0 0 403.935 4.302 50 30 HIEARN CCCCCCOc1ccc(OCCOc2ccccc2/C=N/NC(N)=S)cc1 ZINC000004512511 558627678 /nfs/dbraw/zinc/62/76/78/558627678.db2.gz OQQRPXYALZSWSH-JJIBRWJFSA-N 0 0 415.559 4.271 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)ccc2OC)C1=O ZINC000004562123 558732448 /nfs/dbraw/zinc/73/24/48/558732448.db2.gz GMSYKMHLPXSKLN-AQTBWJFISA-N 0 0 411.479 4.247 50 30 HIEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 ZINC000003088963 558747870 /nfs/dbraw/zinc/74/78/70/558747870.db2.gz OTFVAVIXKIHJIE-LPYMAVHISA-N 0 0 421.365 4.481 50 30 HIEARN O=c1c2c3c(sc2nc(N/N=C/c2ccccc2)n1Cc1ccccc1)CCC3 ZINC000004590151 558792432 /nfs/dbraw/zinc/79/24/32/558792432.db2.gz OMDCGIBMDUOHHD-ZVHZXABRSA-N 0 0 400.507 4.441 50 30 HIEARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997872 558808465 /nfs/dbraw/zinc/80/84/65/558808465.db2.gz IFVOJJKXCCPUSY-FQEVSTJZSA-N 0 0 421.457 4.105 50 30 HIEARN CC1(C)CC(=O)C2=C(C1)O[C@]1(O)CC(C)(C)CC(=O)[C@H]1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000017000288 558811461 /nfs/dbraw/zinc/81/14/61/558811461.db2.gz GORMMYWRNUWTJI-QMHWCDLVSA-N 0 0 413.470 4.046 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1cccc(C(C)=O)c1 ZINC000017242300 558826168 /nfs/dbraw/zinc/82/61/68/558826168.db2.gz KQIILKGENGBZTL-NVWMPKGRSA-N 0 0 423.538 4.486 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000018156893 558832457 /nfs/dbraw/zinc/83/24/57/558832457.db2.gz FMGWXPOAWWMZAA-JOCHJYFZSA-N 0 0 415.445 4.487 50 30 HIEARN CCOc1cccc2cc(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)c(=O)oc21 ZINC000004598229 558834153 /nfs/dbraw/zinc/83/41/53/558834153.db2.gz WTFFTUXCFACHPF-PKNBQFBNSA-N 0 0 410.422 4.114 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000013653791 558850871 /nfs/dbraw/zinc/85/08/71/558850871.db2.gz XJDVPTLSFIOCGR-PXNCGERRSA-N 0 0 409.482 4.400 50 30 HIEARN COc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 ZINC000013655770 558850915 /nfs/dbraw/zinc/85/09/15/558850915.db2.gz AMFXWBFKTZYFNO-BKUYFWCQSA-N 0 0 408.431 4.079 50 30 HIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c(OC)c1 ZINC000013653743 558850973 /nfs/dbraw/zinc/85/09/73/558850973.db2.gz OUDWCQGYNVLRIJ-UUYOSTAYSA-N 0 0 409.482 4.258 50 30 HIEARN C=CCNC(=S)N/N=C/c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000004616201 558860190 /nfs/dbraw/zinc/86/01/90/558860190.db2.gz ILQKNUBQJLJFQT-KOEQRZSOSA-N 0 0 411.571 4.426 50 30 HIEARN O[C@@H]1OCCC[C@@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068568585 558863481 /nfs/dbraw/zinc/86/34/81/558863481.db2.gz YEMOXYUOUXISBX-CRCLSJGQSA-N 0 0 420.165 4.470 50 30 HIEARN CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C#N)c4)ccn3n2)cc1Cl ZINC000072329617 558865087 /nfs/dbraw/zinc/86/50/87/558865087.db2.gz IQDWRQMAPIAGQY-UHFFFAOYSA-N 0 0 404.857 4.135 50 30 HIEARN COc1ccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(O)cc32)cc1Cl ZINC000004676045 558888529 /nfs/dbraw/zinc/88/85/29/558888529.db2.gz KBEKERUYRVYAIR-PXLXIMEGSA-N 0 0 405.907 4.306 50 30 HIEARN Cc1ccc(NC(=O)C[C@@H]2CC3=C(C[C@@H](c4ccc(C)cc4)CC3=O)NC2=O)cc1 ZINC000334160423 558979784 /nfs/dbraw/zinc/97/97/84/558979784.db2.gz DNHSXOUWERSFRA-MOPGFXCFSA-N 0 0 402.494 4.169 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1OC ZINC000097105079 558993845 /nfs/dbraw/zinc/99/38/45/558993845.db2.gz PHSGAVAEYCAKBB-AUSIDOKSSA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153747 559021838 /nfs/dbraw/zinc/02/18/38/559021838.db2.gz DYZPGFJDRVCROX-UHFFFAOYSA-N 0 0 418.478 4.339 50 30 HIEARN N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1ncnc2c3ccccc3oc21 ZINC000023171980 559024267 /nfs/dbraw/zinc/02/42/67/559024267.db2.gz LUGAYDRIYKHPCW-UHFFFAOYSA-N 0 0 409.453 4.060 50 30 HIEARN N#Cc1c(CN(Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cn2ccccc12 ZINC000023186283 559029530 /nfs/dbraw/zinc/02/95/30/559029530.db2.gz IDMCWQNJQVLKON-UHFFFAOYSA-N 0 0 424.504 4.499 50 30 HIEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3 ZINC000004812085 559069307 /nfs/dbraw/zinc/06/93/07/559069307.db2.gz WVZBAMUVPGMXKT-LBPRGKRZSA-N 0 0 402.589 4.462 50 30 HIEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1Br ZINC000011400012 559070110 /nfs/dbraw/zinc/07/01/10/559070110.db2.gz UEVSRYZEWUUIPW-JTQLQIEISA-N 0 0 424.092 4.489 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(O)c1 ZINC000100127266 559130116 /nfs/dbraw/zinc/13/01/16/559130116.db2.gz KZGHZWPXMAUULO-VFNWGFHPSA-N 0 0 409.507 4.378 50 30 HIEARN O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C1=C(Nc1ccccc1)c1ccccc1 ZINC000100222983 559132342 /nfs/dbraw/zinc/13/23/42/559132342.db2.gz BQYMBRDZBPTNBR-VXPUYCOJSA-N 0 0 402.837 4.306 50 30 HIEARN COc1ccccc1CCNC=C1Nc2ccc(Br)c(Cl)c2C1=O ZINC000100442092 559135348 /nfs/dbraw/zinc/13/53/48/559135348.db2.gz VBFFIHZHUGIHPU-GXDHUFHOSA-N 0 0 407.695 4.393 50 30 HIEARN CCCC(Nc1ccc(Br)cc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100162978 559167436 /nfs/dbraw/zinc/16/74/36/559167436.db2.gz UKDJPIJTVLYLOU-YHKKIHSWSA-N 0 0 422.319 4.273 50 30 HIEARN CN(C)c1ccc(/N=C(/C#N)C(=O)c2ccc(-n3nncc3C(C)(C)C)cc2)cc1 ZINC000004867568 559193713 /nfs/dbraw/zinc/19/37/13/559193713.db2.gz ASRLARLJRVHJGX-QOMWVZHYSA-N 0 0 400.486 4.110 50 30 HIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2OC)CC1=O ZINC000004910530 559202320 /nfs/dbraw/zinc/20/23/20/559202320.db2.gz ALLYLUDBNMJCCC-IBGZPJMESA-N 0 0 419.525 4.406 50 30 HIEARN COc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c([N+](=O)[O-])c1 ZINC000004959794 559216093 /nfs/dbraw/zinc/21/60/93/559216093.db2.gz MDOLBFZBMSTINR-UHFFFAOYSA-N 0 0 408.439 4.063 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005051296 559237092 /nfs/dbraw/zinc/23/70/92/559237092.db2.gz WFNHNYCJEHMOFY-SMIHKQSGSA-N 0 0 422.481 4.302 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c3ccccc3[nH]c2c1=O ZINC000005106755 559245970 /nfs/dbraw/zinc/24/59/70/559245970.db2.gz GAFMOHBGKDPRQL-UHFFFAOYSA-N 0 0 404.495 4.103 50 30 HIEARN Cc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 ZINC000100631597 559247085 /nfs/dbraw/zinc/24/70/85/559247085.db2.gz BPYADTFERZJERM-HXUWFJFHSA-N 0 0 405.523 4.345 50 30 HIEARN C=CCn1c(SCC(=O)N(C)Cc2ccccc2C)nnc1-c1ccccc1OC ZINC000005131472 559249751 /nfs/dbraw/zinc/24/97/51/559249751.db2.gz AGLCGVXUMBXRMJ-UHFFFAOYSA-N 0 0 422.554 4.199 50 30 HIEARN Cc1cccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)c1 ZINC000005164683 559276889 /nfs/dbraw/zinc/27/68/89/559276889.db2.gz LRHMPSQMHKOTHB-LAUBAEHRSA-N 0 0 420.538 4.213 50 30 HIEARN COc1ccc2c(c1)C(=NOC(=O)c1ccccc1I)CCC2 ZINC000252637286 559278883 /nfs/dbraw/zinc/27/88/83/559278883.db2.gz XRIBEEZBYIQSRI-UHFFFAOYSA-N 0 0 421.234 4.197 50 30 HIEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(Cl)c(C(F)(F)F)c4)CC3=O)nc2c1 ZINC000005182860 559290108 /nfs/dbraw/zinc/29/01/08/559290108.db2.gz DSOUWKXKYXHNEY-UHFFFAOYSA-N 0 0 406.795 4.260 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1 ZINC000019535978 560094204 /nfs/dbraw/zinc/09/42/04/560094204.db2.gz QKMSODBVRKUPMX-KRWDZBQOSA-N 0 0 404.304 4.226 50 30 biogenic,in-vitro HIEARN COC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000005265429 560553598 /nfs/dbraw/zinc/55/35/98/560553598.db2.gz QSNVCABMVHGPPO-UHFFFAOYSA-N 0 0 405.475 4.089 50 30 HIEARN C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)NC1(C#N)CCCCC1 ZINC000005305111 560563157 /nfs/dbraw/zinc/56/31/57/560563157.db2.gz BMXKWQUREKJVRH-CQSZACIVSA-N 0 0 410.495 4.195 50 30 HIEARN COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1 ZINC000005345156 560569809 /nfs/dbraw/zinc/56/98/09/560569809.db2.gz WXHJZDMQXVSSRP-FBRGJASNSA-N 0 0 407.499 4.023 50 30 HIEARN COc1ccccc1/C=N/OCc1nc2c3c4c(sc3ncn2n1)CCCCC4 ZINC000005347044 560570578 /nfs/dbraw/zinc/57/05/78/560570578.db2.gz LINRBUDVHSZUAH-FOKLQQMPSA-N 0 0 407.499 4.167 50 30 HIEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)o2)c1 ZINC000005408596 560583670 /nfs/dbraw/zinc/58/36/70/560583670.db2.gz WXHPVVUITAQWMI-NRFANRHFSA-N 0 0 418.449 4.160 50 30 HIEARN Cc1sc2nc(C)nc(SCc3nc4ccccc4c(=O)n3CC#N)c2c1C ZINC000005429087 560586321 /nfs/dbraw/zinc/58/63/21/560586321.db2.gz XQLGPXGFNDCLAV-UHFFFAOYSA-N 0 0 407.524 4.142 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(OC)cc1 ZINC000005477756 560594841 /nfs/dbraw/zinc/59/48/41/560594841.db2.gz XPEJZEOTJJODRP-UHFFFAOYSA-N 0 0 408.527 4.433 50 30 HIEARN N#CC1(NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)CCCC1 ZINC000004978263 560622830 /nfs/dbraw/zinc/62/28/30/560622830.db2.gz OFLUYPMRDWCGHV-UHFFFAOYSA-N 0 0 412.873 4.028 50 30 HIEARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCc1cn2ccccc2c1C#N ZINC000014728623 560738921 /nfs/dbraw/zinc/73/89/21/560738921.db2.gz MTVRUWDYQCWAPA-UHFFFAOYSA-N 0 0 408.820 4.455 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000005690644 560785857 /nfs/dbraw/zinc/78/58/57/560785857.db2.gz KAMILXCMBMDGQG-UNMCSNQZSA-N 0 0 421.493 4.015 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(CC)cc2)cc1 ZINC000046128808 560794474 /nfs/dbraw/zinc/79/44/74/560794474.db2.gz XSRMFKZFKAQJAS-UHFFFAOYSA-N 0 0 402.498 4.441 50 30 HIEARN CCCCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000101669046 560798243 /nfs/dbraw/zinc/79/82/43/560798243.db2.gz WVIGXGAPCQSKOO-LJQANCHMSA-N 0 0 406.548 4.084 50 30 HIEARN C[C@H](NC1=C(NC(=O)c2cccs2)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000102138148 560808132 /nfs/dbraw/zinc/80/81/32/560808132.db2.gz AYQUKOFPYCPBLV-AWEZNQCLSA-N 0 0 402.475 4.120 50 30 HIEARN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000102401939 560810663 /nfs/dbraw/zinc/81/06/63/560810663.db2.gz CWLIPUQOONQPCG-CNVXJRLLSA-N 0 0 411.523 4.472 50 30 HIEARN Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(OC(C)C)cc2)no1 ZINC000102374339 560810686 /nfs/dbraw/zinc/81/06/86/560810686.db2.gz XSYNMKSGEUWJLU-LFVOPCPISA-N 0 0 424.478 4.458 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000102861945 560832126 /nfs/dbraw/zinc/83/21/26/560832126.db2.gz LMXMEZMBNVWMQZ-ILCKISKLSA-N 0 0 403.887 4.002 50 30 HIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000102862864 560832308 /nfs/dbraw/zinc/83/23/08/560832308.db2.gz QYFPSMJSAYCXJE-MRJHHRETSA-N 0 0 403.409 4.461 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102878932 560833488 /nfs/dbraw/zinc/83/34/88/560833488.db2.gz YPSKDGKJARINJQ-WOOAAIBNSA-N 0 0 420.490 4.395 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102929599 560835426 /nfs/dbraw/zinc/83/54/26/560835426.db2.gz PGQFWJPXDANGEO-YDJIHCHBSA-N 0 0 418.405 4.118 50 30 HIEARN CCCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2c1ccc(OC)cc1 ZINC000102992127 560836592 /nfs/dbraw/zinc/83/65/92/560836592.db2.gz GATDRSCMQHFYRJ-UHFFFAOYSA-N 0 0 404.576 4.454 50 30 HIEARN COc1ccccc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000100822446 560850970 /nfs/dbraw/zinc/85/09/70/560850970.db2.gz MGPPTKVZQFSETJ-QJOMJCCJSA-N 0 0 424.503 4.127 50 30 HIEARN CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)c(OCC)c1 ZINC000005728105 560854550 /nfs/dbraw/zinc/85/45/50/560854550.db2.gz MNDHKTAUGWIJPU-OAQYLSRUSA-N 0 0 419.477 4.225 50 30 HIEARN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4nc(SC)sc4c3)cc2C1=O ZINC000014841636 560861472 /nfs/dbraw/zinc/86/14/72/560861472.db2.gz ZUHDDWCCEFKAEP-UHFFFAOYSA-N 0 0 409.492 4.053 50 30 HIEARN COc1ccc(N/N=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000005022316 560883577 /nfs/dbraw/zinc/88/35/77/560883577.db2.gz WMZYBEJSGSZYGH-KOEQRZSOSA-N 0 0 402.435 4.265 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000044973784 560898333 /nfs/dbraw/zinc/89/83/33/560898333.db2.gz OXJJYEVQGNIQBV-KRWDZBQOSA-N 0 0 411.527 4.079 50 30 HIEARN C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000044973789 560898349 /nfs/dbraw/zinc/89/83/49/560898349.db2.gz OXJJYEVQGNIQBV-QGZVFWFLSA-N 0 0 411.527 4.079 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(OC)c(Cl)c2)c1 ZINC000046128009 568428938 /nfs/dbraw/zinc/42/89/38/568428938.db2.gz AXYOKRJUGPKAST-UHFFFAOYSA-N 0 0 424.888 4.150 50 30 HIEARN N#Cc1ccc(CSCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000048020957 568431851 /nfs/dbraw/zinc/43/18/51/568431851.db2.gz LELJAQOVMIFENL-HXUWFJFHSA-N 0 0 408.523 4.316 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc3c(c2c1=O)CCC3 ZINC000003266177 568454629 /nfs/dbraw/zinc/45/46/29/568454629.db2.gz GQJAOWMKCKNHIS-UHFFFAOYSA-N 0 0 411.552 4.172 50 30 HIEARN O=C1N/C(=N/N=C/c2ccccc2Cl)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014920866 568455609 /nfs/dbraw/zinc/45/56/09/568455609.db2.gz ARZGRVVUUBWKDM-LOLMUVSESA-N 0 0 421.265 4.496 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(OCC)cc1 ZINC000002742959 568459980 /nfs/dbraw/zinc/45/99/80/568459980.db2.gz NYGJROJUFSPTOP-UHFFFAOYSA-N 0 0 424.526 4.173 50 30 HIEARN COc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCCCCC4)C2=O)cc1 ZINC000000778155 568473696 /nfs/dbraw/zinc/47/36/96/568473696.db2.gz YNROXWIHWIAEMG-HXUWFJFHSA-N 0 0 421.522 4.045 50 30 HIEARN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000024924221 568486159 /nfs/dbraw/zinc/48/61/59/568486159.db2.gz AANRSMDXKMEPOM-UHFFFAOYSA-N 0 0 407.477 4.360 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1OC)Nc1ccccc1-2 ZINC000002882571 568509174 /nfs/dbraw/zinc/50/91/74/568509174.db2.gz AGDUYNRUAKAUBG-GOSISDBHSA-N 0 0 423.454 4.237 50 30 HIEARN C#CCOc1c(Br)cc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OC ZINC000002814451 568509337 /nfs/dbraw/zinc/50/93/37/568509337.db2.gz FERNVNOIZLCFMD-PTNGSMBKSA-N 0 0 424.316 4.306 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1OC)Nc1ccccc1-2 ZINC000002874385 568509869 /nfs/dbraw/zinc/50/98/69/568509869.db2.gz HCBYUFANYRSXBP-IBGZPJMESA-N 0 0 408.483 4.337 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 ZINC000002977410 568614203 /nfs/dbraw/zinc/61/42/03/568614203.db2.gz OIKHTICIHGEDLI-FQEVSTJZSA-N 0 0 408.458 4.400 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000012407374 568711781 /nfs/dbraw/zinc/71/17/81/568711781.db2.gz XFKLBKDCJYFOQF-QVKFZJNVSA-N 0 0 418.453 4.066 50 30 HIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)c(OC)c1 ZINC000012408573 568712289 /nfs/dbraw/zinc/71/22/89/568712289.db2.gz RKHJBAJUNGIJNO-SPLOXXLWSA-N 0 0 418.453 4.066 50 30 HIEARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(=O)C32)c(OC)c1 ZINC000012408570 568712403 /nfs/dbraw/zinc/71/24/03/568712403.db2.gz RKHJBAJUNGIJNO-QKKBWIMNSA-N 0 0 418.453 4.066 50 30 HIEARN CCCOc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)cc1 ZINC000012418447 568719069 /nfs/dbraw/zinc/71/90/69/568719069.db2.gz SZLFPVCGOYAKSF-UHFFFAOYSA-N 0 0 422.510 4.026 50 30 HIEARN Cc1cccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(F)cc4)nc3C#N)CC2)c1 ZINC000012418640 568719212 /nfs/dbraw/zinc/71/92/12/568719212.db2.gz QUQKVDBYFJWZPN-JXMROGBWSA-N 0 0 416.456 4.127 50 30 HIEARN Cc1ccc(C(=O)N2CCN(c3oc(/C=C/c4ccc(F)cc4)nc3C#N)CC2)cc1 ZINC000012418638 568719240 /nfs/dbraw/zinc/71/92/40/568719240.db2.gz NTENOKPNWLAMHS-IZZDOVSWSA-N 0 0 416.456 4.127 50 30 HIEARN Cc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2NC3=NC2CCCC2)cc1F ZINC000096309792 568723995 /nfs/dbraw/zinc/72/39/95/568723995.db2.gz BYQFZUYCBSHWIU-DEOSSOPVSA-N 0 0 421.520 4.383 50 30 HIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)S/C1=N\c1cccc(Cl)c1 ZINC000000868517 568725079 /nfs/dbraw/zinc/72/50/79/568725079.db2.gz LZHAFYGVQGABEJ-DVCONVQISA-N 0 0 417.918 4.329 50 30 HIEARN COc1ccc(-c2csc(C3=C(N)N(C4CCCCCC4)CC3=O)n2)cc1OC ZINC000096318492 568727325 /nfs/dbraw/zinc/72/73/25/568727325.db2.gz PXHRTTXEEORQMZ-UHFFFAOYSA-N 0 0 413.543 4.062 50 30 HIEARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Nc3cccc(C#N)c3)cc2s1 ZINC000096399752 568748989 /nfs/dbraw/zinc/74/89/89/568748989.db2.gz WEZRYLBORFLJRE-UHFFFAOYSA-N 0 0 414.512 4.242 50 30 HIEARN CCOc1cc([C@@H]2C(C(C)=O)C(C)=Nc3ncnn32)ccc1OCc1ccccc1 ZINC000000915060 568750077 /nfs/dbraw/zinc/75/00/77/568750077.db2.gz KKEPHVDNURIWJD-JOCHJYFZSA-N 0 0 404.470 4.134 50 30 HIEARN CCOc1cc([C@H]2C(C(C)=O)C(C)=Nc3ncnn32)ccc1OCc1ccccc1 ZINC000000915055 568750121 /nfs/dbraw/zinc/75/01/21/568750121.db2.gz KKEPHVDNURIWJD-QFIPXVFZSA-N 0 0 404.470 4.134 50 30 HIEARN O=c1cn[nH]c(=S)n1N=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000000936716 568751535 /nfs/dbraw/zinc/75/15/35/568751535.db2.gz QGDMTMRGHNYFGQ-ODCIPOBUSA-N 0 0 407.282 4.069 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C#N)cc1)C1=C(CCCC1=O)N2 ZINC000000937266 568751978 /nfs/dbraw/zinc/75/19/78/568751978.db2.gz GKKBPCHACKETSW-SJCJKPOMSA-N 0 0 406.511 4.097 50 30 HIEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(Br)c(C)c2)c1C#N ZINC000000983262 568760178 /nfs/dbraw/zinc/76/01/78/568760178.db2.gz NQNVWQKUPINOII-UHFFFAOYSA-N 0 0 420.332 4.210 50 30 HIEARN COc1cc(Cl)c(C(=O)C(=C(Nc2ccccc2)SC)[N+](=O)[O-])cc1OC ZINC000096572780 568761356 /nfs/dbraw/zinc/76/13/56/568761356.db2.gz NXSLHIFJUSOXEL-FBMGVBCBSA-N 0 0 408.863 4.461 50 30 HIEARN COc1ccc(NS(=O)(=O)c2ccc(Oc3c(C#N)cccc3C#N)cc2)cc1 ZINC000001024233 568763344 /nfs/dbraw/zinc/76/33/44/568763344.db2.gz MRXPVZNUMFKYQT-UHFFFAOYSA-N 0 0 405.435 4.032 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000001102887 568771723 /nfs/dbraw/zinc/77/17/23/568771723.db2.gz BJEZEGMPZDDGPM-UDWIEESQSA-N 0 0 419.300 4.330 50 30 HIEARN Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1Cc1ccccc1 ZINC000002624482 568788792 /nfs/dbraw/zinc/78/87/92/568788792.db2.gz CVBBGFSDFHNXNH-UHFFFAOYSA-N 0 0 423.567 4.178 50 30 HIEARN CCn1c(SCC(=O)N(CCC#N)c2ccc(C)cc2)nnc1-c1cccs1 ZINC000002627599 568789819 /nfs/dbraw/zinc/78/98/19/568789819.db2.gz ZHKKFMNZWYWECT-UHFFFAOYSA-N 0 0 411.556 4.374 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000002628242 568790023 /nfs/dbraw/zinc/79/00/23/568790023.db2.gz NQMQDEPRYVNYCW-UHFFFAOYSA-N 0 0 409.902 4.401 50 30 HIEARN N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 ZINC000002636010 568792198 /nfs/dbraw/zinc/79/21/98/568792198.db2.gz FZWNFRIHAMRORE-UHFFFAOYSA-N 0 0 411.870 4.265 50 30 HIEARN C[C@@H]1CCc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)c(C#N)cc2C1 ZINC000215712355 568793277 /nfs/dbraw/zinc/79/32/77/568793277.db2.gz NZLXXKHFOJWCAZ-LLVKDONJSA-N 0 0 406.433 4.223 50 30 HIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3C)n2C)c1 ZINC000002664953 568800035 /nfs/dbraw/zinc/80/00/35/568800035.db2.gz ZDXWMWBCRMJGIE-UHFFFAOYSA-N 0 0 419.554 4.446 50 30 HIEARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@@H]3C2=O)c(C)c1 ZINC000230056892 568805561 /nfs/dbraw/zinc/80/55/61/568805561.db2.gz HPYXJYJECHFNPV-RBZQAINGSA-N 0 0 423.472 4.226 50 30 HIEARN C=CCNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1cccc(Br)c1 ZINC000005824233 568824284 /nfs/dbraw/zinc/82/42/84/568824284.db2.gz UNZUARMHOICSBA-PQKWBZNXSA-N 0 0 411.299 4.078 50 30 HIEARN N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccco4)c3)C2=O)cc1 ZINC000034735440 568824605 /nfs/dbraw/zinc/82/46/05/568824605.db2.gz NGNJNRBLPNPFLB-UHFFFAOYSA-N 0 0 400.438 4.236 50 30 HIEARN Cn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005856082 568825864 /nfs/dbraw/zinc/82/58/64/568825864.db2.gz RZORQLPRQFUYNA-UHFFFAOYSA-N 0 0 419.554 4.428 50 30 HIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 ZINC000005868784 568827170 /nfs/dbraw/zinc/82/71/70/568827170.db2.gz MDDAMTRHTRHBGS-GOSISDBHSA-N 0 0 424.570 4.293 50 30 HIEARN CSc1ncc(C(=O)NCCSCc2ccccc2C#N)n1-c1ccccc1 ZINC000012507089 568839467 /nfs/dbraw/zinc/83/94/67/568839467.db2.gz ZCFLMEFNKNUVGL-UHFFFAOYSA-N 0 0 408.552 4.129 50 30 HIEARN C=CCOc1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OCC ZINC000002081014 568844360 /nfs/dbraw/zinc/84/43/60/568844360.db2.gz PVIUZNPSXJLTPS-GZTJUZNOSA-N 0 0 408.410 4.211 50 30 HIEARN CC(=O)c1cc(C#N)c(SCC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)nc1C ZINC000029897921 568846460 /nfs/dbraw/zinc/84/64/60/568846460.db2.gz VTTWSVJBFRGBIZ-INIZCTEOSA-N 0 0 407.539 4.384 50 30 HIEARN C=C(C[C@@](NP(=O)(OCC)OCC)(C(=O)OC)C(F)(F)F)c1ccccc1 ZINC000003622229 568864458 /nfs/dbraw/zinc/86/44/58/568864458.db2.gz JTXBQMHCCSVJFI-MRXNPFEDSA-N 0 0 409.341 4.335 50 30 HIEARN N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003257793 568868708 /nfs/dbraw/zinc/86/87/08/568868708.db2.gz UWIUYUAEUWQTQA-UHFFFAOYSA-N 0 0 405.841 4.481 50 30 HIEARN N#Cc1ccc(OCC(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000003288374 568872857 /nfs/dbraw/zinc/87/28/57/568872857.db2.gz XKCORVFPZWBQEF-UHFFFAOYSA-N 0 0 416.458 4.310 50 30 HIEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC(=O)c2ccco2)c1 ZINC000004037926 568879840 /nfs/dbraw/zinc/87/98/40/568879840.db2.gz KGWXQRCPVCWPMK-UXBLZVDNSA-N 0 0 408.406 4.421 50 30 biogenic HIEARN Cc1ccc(Cl)cc1N1CCN(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1 ZINC000004054279 568880912 /nfs/dbraw/zinc/88/09/12/568880912.db2.gz ZQELYDJHXKMLRA-UHFFFAOYSA-N 0 0 401.293 4.300 50 30 HIEARN C=CCNC(=O)/C=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000004071351 568882292 /nfs/dbraw/zinc/88/22/92/568882292.db2.gz WBAJSQDWNMTCQD-MDZDMXLPSA-N 0 0 402.288 4.352 50 30 HIEARN C=CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccccc1 ZINC000003369454 568889748 /nfs/dbraw/zinc/88/97/48/568889748.db2.gz OXRFVDCOQKSJQT-UHFFFAOYSA-N 0 0 410.455 4.198 50 30 HIEARN C=CCn1c(SCC(=O)N(CC)C2CCCCC2)nc2sc(CC)cc2c1=O ZINC000003396182 568895252 /nfs/dbraw/zinc/89/52/52/568895252.db2.gz MNJPLQARNFHMIT-UHFFFAOYSA-N 0 0 419.616 4.480 50 30 HIEARN CCCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OCC(C)C)c(OC)c1 ZINC000058209678 568899659 /nfs/dbraw/zinc/89/96/59/568899659.db2.gz ORBGLSQUJGUZOK-UHFFFAOYSA-N 0 0 409.530 4.452 50 30 HIEARN C=CCSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1 ZINC000004148147 568916740 /nfs/dbraw/zinc/91/67/40/568916740.db2.gz RASRECKIQWPOEE-UHFFFAOYSA-N 0 0 408.552 4.224 50 30 HIEARN COc1ccc(Cl)cc1NC(=NCc1ccncc1)NC(=O)c1cccc(C)c1 ZINC000045939686 568920704 /nfs/dbraw/zinc/92/07/04/568920704.db2.gz KCBISOIBZRWYQL-UHFFFAOYSA-N 0 0 408.889 4.259 50 30 HIEARN N#Cc1ccc(OCCCCCCOc2ccc(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000004181921 568928048 /nfs/dbraw/zinc/92/80/48/568928048.db2.gz BQPLOAZGSWZEOS-UHFFFAOYSA-N 0 0 410.386 4.265 50 30 HIEARN C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000012750471 568940301 /nfs/dbraw/zinc/94/03/01/568940301.db2.gz TZYXOXRKPDAJOU-OAHLLOKOSA-N 0 0 424.522 4.450 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C2C(=O)CCCC2=N3)cc1OC ZINC000004279847 568958473 /nfs/dbraw/zinc/95/84/73/568958473.db2.gz QGWJVHMAVZVIOU-JOCHJYFZSA-N 0 0 416.481 4.293 50 30 HIEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)CCSc3ccccc3)sc2C1 ZINC000004280355 568958645 /nfs/dbraw/zinc/95/86/45/568958645.db2.gz UZGFGZPDBYQNTJ-UHFFFAOYSA-N 0 0 415.540 4.255 50 30 HIEARN COc1ccccc1-c1nnc(SCC#CCOC(=O)c2ccc(Cl)cc2)o1 ZINC000004776296 568964244 /nfs/dbraw/zinc/96/42/44/568964244.db2.gz OJMSLWXCLBIFFT-UHFFFAOYSA-N 0 0 414.870 4.351 50 30 HIEARN C=CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCc2ccccc21 ZINC000004816111 568964337 /nfs/dbraw/zinc/96/43/37/568964337.db2.gz COLSEVUBXXRRAG-UHFFFAOYSA-N 0 0 420.538 4.033 50 30 HIEARN N#Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 ZINC000008133119 568976205 /nfs/dbraw/zinc/97/62/05/568976205.db2.gz AMJMVCASOKHNLM-UHFFFAOYSA-N 0 0 406.463 4.003 50 30 HIEARN N#Cc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000006052708 568988432 /nfs/dbraw/zinc/98/84/32/568988432.db2.gz GNBQPDAPNIPHJT-UHFFFAOYSA-N 0 0 410.430 4.142 50 30 HIEARN C=CCOc1cccc(C(=O)NC[C@H]2Cc3cc(-c4ncccc4C)ccc3O2)c1 ZINC000012218762 568994355 /nfs/dbraw/zinc/99/43/55/568994355.db2.gz UULBDZXEWIJYMQ-JOCHJYFZSA-N 0 0 400.478 4.355 50 30 HIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)c1ccco1 ZINC000012409531 568994418 /nfs/dbraw/zinc/99/44/18/568994418.db2.gz CTYHAQHJOYFTBJ-UHFFFAOYSA-N 0 0 402.447 4.108 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C)cc1 ZINC000012654711 568995848 /nfs/dbraw/zinc/99/58/48/568995848.db2.gz HUBCXNUAJSSXPE-UHFFFAOYSA-N 0 0 403.891 4.075 50 30 HIEARN C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000006084051 568996943 /nfs/dbraw/zinc/99/69/43/568996943.db2.gz NXEOJVSEBJVAAR-VXGBXAGGSA-N 0 0 407.253 4.203 50 30 HIEARN C=CCN1C(=O)[C@](O)(CC(=O)c2cccc(Br)c2)c2cc(Cl)ccc21 ZINC000013557484 569000261 /nfs/dbraw/zinc/00/02/61/569000261.db2.gz OHXLTROFLKHRQF-IBGZPJMESA-N 0 0 420.690 4.096 50 30 HIEARN C=CCN(C(=O)CCn1c2ccccc2n(C)c1=O)c1nc(-c2ccccc2)cs1 ZINC000014055224 569001196 /nfs/dbraw/zinc/00/11/96/569001196.db2.gz VYDQSGUHRYVOOU-UHFFFAOYSA-N 0 0 418.522 4.073 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(C)c1 ZINC000014082166 569001473 /nfs/dbraw/zinc/00/14/73/569001473.db2.gz XSNSIVDIFJHKBV-UHFFFAOYSA-N 0 0 406.511 4.373 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccc(C)c1 ZINC000014082167 569001565 /nfs/dbraw/zinc/00/15/65/569001565.db2.gz WVXHFZXEUAQDDY-UHFFFAOYSA-N 0 0 406.511 4.373 50 30 HIEARN C=CCN(Cc1cccs1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000014189251 569001934 /nfs/dbraw/zinc/00/19/34/569001934.db2.gz QXFSSPVGAXBXAW-UHFFFAOYSA-N 0 0 417.534 4.189 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)NC2CC2)nc2sc(-c3ccccc3)cc2c1=O ZINC000006111692 569004775 /nfs/dbraw/zinc/00/47/75/569004775.db2.gz LYJDBEKBKCVSSB-CYBMUJFWSA-N 0 0 411.552 4.070 50 30 HIEARN COc1ccccc1N(CCC#N)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000006113133 569004922 /nfs/dbraw/zinc/00/49/22/569004922.db2.gz PVOWUKAIVWFHQY-UHFFFAOYSA-N 0 0 412.540 4.356 50 30 HIEARN C=C(C)Cn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000000716141 569005980 /nfs/dbraw/zinc/00/59/80/569005980.db2.gz VVXYBKMZJINYBY-CYBMUJFWSA-N 0 0 420.600 4.450 50 30 HIEARN C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc2ccccc2n1 ZINC000000816369 569006134 /nfs/dbraw/zinc/00/61/34/569006134.db2.gz CNPSHZUBNQIODI-UHFFFAOYSA-N 0 0 415.522 4.088 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(OC)cc1 ZINC000001124079 569006321 /nfs/dbraw/zinc/00/63/21/569006321.db2.gz HJGNPEAFZDRUFJ-UHFFFAOYSA-N 0 0 422.510 4.073 50 30 HIEARN C#CCn1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000001138193 569006445 /nfs/dbraw/zinc/00/64/45/569006445.db2.gz BMJHQKJEUZGXSU-NDENLUEZSA-N 0 0 417.446 4.419 50 30 HIEARN C=CCN1C(=O)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000001441979 569006661 /nfs/dbraw/zinc/00/66/61/569006661.db2.gz VICIWGFWSLGFNN-QGZVFWFLSA-N 0 0 418.280 4.345 50 30 HIEARN C=CCn1c2nc3ccccc3nc2c(C(=O)OCC)c1NC(=O)c1ccccc1 ZINC000002286591 569007100 /nfs/dbraw/zinc/00/71/00/569007100.db2.gz KFKVFNAALWPVPL-UHFFFAOYSA-N 0 0 400.438 4.200 50 30 HIEARN C=CCn1c(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)n[nH]c1=S ZINC000012825271 569009281 /nfs/dbraw/zinc/00/92/81/569009281.db2.gz WYVZKXVEKAXOTH-UHFFFAOYSA-N 0 0 409.899 4.219 50 30 HIEARN COc1ccc(-n2c(S[C@@H](C)C#N)nc3sc4c(c3c2=O)CCCS4)cc1 ZINC000012857684 569011242 /nfs/dbraw/zinc/01/12/42/569011242.db2.gz LAMPGSVUNWXPIX-NSHDSACASA-N 0 0 415.565 4.498 50 30 HIEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c1 ZINC000006134380 569014184 /nfs/dbraw/zinc/01/41/84/569014184.db2.gz SYZPAHNAZRRPKG-HXUWFJFHSA-N 0 0 420.490 4.320 50 30 HIEARN CC(C)(C)C1CCC(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000012881695 569018866 /nfs/dbraw/zinc/01/88/66/569018866.db2.gz GHTIWCUGEWKAFR-UHFFFAOYSA-N 0 0 410.518 4.307 50 30 HIEARN CC(=O)N1CCc2c(C#N)c(NC(=O)CCSc3ccc(Cl)cc3)sc2C1 ZINC000016048046 569028412 /nfs/dbraw/zinc/02/84/12/569028412.db2.gz OUAIXQYLQDJLAQ-UHFFFAOYSA-N 0 0 419.959 4.299 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000006196376 569031375 /nfs/dbraw/zinc/03/13/75/569031375.db2.gz LBNZHPCQLFKZJB-OAQYLSRUSA-N 0 0 409.482 4.009 50 30 HIEARN CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000026412696 569031798 /nfs/dbraw/zinc/03/17/98/569031798.db2.gz GQQRPAKCGKJBEO-KRWDZBQOSA-N 0 0 401.846 4.387 50 30 HIEARN O=S(=O)(N=C(Nc1ccccn1)c1ccccc1)c1ccc(Br)cc1 ZINC000006235118 569034249 /nfs/dbraw/zinc/03/42/49/569034249.db2.gz AZHLVWQSOWEDMZ-UHFFFAOYSA-N 0 0 416.300 4.092 50 30 HIEARN C=CCNC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000006293440 569038016 /nfs/dbraw/zinc/03/80/16/569038016.db2.gz OAZDDJBNSWGICI-UHFFFAOYSA-N 0 0 405.445 4.498 50 30 HIEARN CC(C)=N/N=c1\scc(-c2ccccc2)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000006455891 569053598 /nfs/dbraw/zinc/05/35/98/569053598.db2.gz YTOFYMVSURAECB-BZZOAKBMSA-N 0 0 417.538 4.300 50 30 HIEARN C#Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)c1 ZINC000058537415 569053723 /nfs/dbraw/zinc/05/37/23/569053723.db2.gz CEWDGVSFKOMNCD-MGPUTAFESA-N 0 0 415.896 4.044 50 30 HIEARN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OCc2ccccc2)C1 ZINC000245255417 569055441 /nfs/dbraw/zinc/05/54/41/569055441.db2.gz HLIJUTRTSWJLDG-GGPKGHCWSA-N 0 0 414.509 4.463 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1ncnc3sc4c(c31)CCC4)CCC2 ZINC000001895602 569057015 /nfs/dbraw/zinc/05/70/15/569057015.db2.gz MZEMSLUJFXATDN-UHFFFAOYSA-N 0 0 412.565 4.333 50 30 HIEARN COc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)c1 ZINC000064473542 569063832 /nfs/dbraw/zinc/06/38/32/569063832.db2.gz WLDJTKNSBDYJBQ-UHFFFAOYSA-N 0 0 400.482 4.279 50 30 HIEARN C=CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006602766 569070218 /nfs/dbraw/zinc/07/02/18/569070218.db2.gz LEJTUQBNUBOCPH-UHFFFAOYSA-N 0 0 401.271 4.279 50 30 HIEARN Brc1ccc(OCCn2cc(C=Nc3nc[nH]n3)c3ccccc32)cc1 ZINC000006616437 569074730 /nfs/dbraw/zinc/07/47/30/569074730.db2.gz LIPJNVJQZQMAKG-SRZZPIQSSA-N 0 0 410.275 4.352 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006620754 569074855 /nfs/dbraw/zinc/07/48/55/569074855.db2.gz ICWMCMNEKIVHTL-NRFANRHFSA-N 0 0 409.482 4.391 50 30 HIEARN COc1ccc(C(=O)Oc2cc3c(c(C)c2)C(=O)/C(=C/c2ccncc2)O3)cc1OC ZINC000006661494 569085346 /nfs/dbraw/zinc/08/53/46/569085346.db2.gz NEQJCXGWASBFPZ-NHDPSOOVSA-N 0 0 417.417 4.243 50 30 HIEARN C=CCn1c2ccc(C(F)(F)F)cc2nc(CCC(=O)Nc2cccc(C)c2)c1=O ZINC000006662797 569085924 /nfs/dbraw/zinc/08/59/24/569085924.db2.gz KVKIAGDSTHVFLY-UHFFFAOYSA-N 0 0 415.415 4.481 50 30 HIEARN C=CCn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2c1cccc2OCC ZINC000006704960 569094747 /nfs/dbraw/zinc/09/47/47/569094747.db2.gz KGGCVKRVMYLHFQ-UHFFFAOYSA-N 0 0 407.489 4.328 50 30 HIEARN CC(C)CC(=O)N1CCS[C@]12c1cc(F)ccc1N(Cc1cccc(C#N)c1)C2=O ZINC000036167332 569102970 /nfs/dbraw/zinc/10/29/70/569102970.db2.gz ZLIMVBUNYFEBNT-QHCPKHFHSA-N 0 0 423.513 4.018 50 30 HIEARN N#Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000006817659 569138086 /nfs/dbraw/zinc/13/80/86/569138086.db2.gz DCTFHIOLCFPJSC-NRFANRHFSA-N 0 0 413.506 4.464 50 30 HIEARN N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)c1 ZINC000065085510 569173864 /nfs/dbraw/zinc/17/38/64/569173864.db2.gz XZKFKHTYWKBSKA-UHFFFAOYSA-N 0 0 402.884 4.358 50 30 HIEARN Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2CCc3ccccc3C2)c1C#N ZINC000036450989 569185560 /nfs/dbraw/zinc/18/55/60/569185560.db2.gz VNAZXVLLETYECC-UHFFFAOYSA-N 0 0 404.539 4.083 50 30 HIEARN Cc1cc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c(C)n1-c1ccc(C#N)cc1 ZINC000170623565 569249809 /nfs/dbraw/zinc/24/98/09/569249809.db2.gz HAMMMIBUEHMRNE-JOCHJYFZSA-N 0 0 401.514 4.293 50 30 HIEARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CN2CCCSc3ccccc32)c1C#N ZINC000009908933 569251703 /nfs/dbraw/zinc/25/17/03/569251703.db2.gz XSJLPAFJAPEKMJ-SFHVURJKSA-N 0 0 424.570 4.097 50 30 HIEARN O=C(CSC[C@H](O)CON=C1c2ccccc2-c2ccccc21)Nc1ccccc1 ZINC000016839762 569264373 /nfs/dbraw/zinc/26/43/73/569264373.db2.gz NLOOTNKDNPPPMO-GOSISDBHSA-N 0 0 418.518 4.169 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(F)c2)c1 ZINC000017057397 569272606 /nfs/dbraw/zinc/27/26/06/569272606.db2.gz DFFHRVRUDYFYDG-FQEVSTJZSA-N 0 0 404.397 4.012 50 30 HIEARN CCOc1ccc(Br)cc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000000936899 569276824 /nfs/dbraw/zinc/27/68/24/569276824.db2.gz OOGLOENQRAUVGN-KRWDZBQOSA-N 0 0 417.307 4.097 50 30 HIEARN COc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000007712390 569280724 /nfs/dbraw/zinc/28/07/24/569280724.db2.gz AYCZBSLKUWKTMP-DJKKODMXSA-N 0 0 407.268 4.026 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nnnn4[C@@H]3c3ccc(C(C)C)cc3)C2)cc1 ZINC000009660447 569284979 /nfs/dbraw/zinc/28/49/79/569284979.db2.gz RXMCLRYAOYCCAH-FDDCHVKYSA-N 0 0 415.497 4.221 50 30 HIEARN COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)c1 ZINC000002153657 569290153 /nfs/dbraw/zinc/29/01/53/569290153.db2.gz CXRGJIRUWWEJSO-YVNNLAQVSA-N 0 0 416.385 4.259 50 30 biogenic HIEARN CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1cccs1 ZINC000002181079 569293427 /nfs/dbraw/zinc/29/34/27/569293427.db2.gz KIBAUQVFDACJRD-UHFFFAOYSA-N 0 0 403.558 4.307 50 30 HIEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccccc3OCC)C(=O)N2C)cc1 ZINC000252601485 569296997 /nfs/dbraw/zinc/29/69/97/569296997.db2.gz FBFXIXNNVFHJEV-NPPZMEKISA-N 0 0 410.495 4.496 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1ccc(C(C)=O)cc1 ZINC000252608834 569298080 /nfs/dbraw/zinc/29/80/80/569298080.db2.gz HNVPSYMUOGESIZ-IBGZPJMESA-N 0 0 407.495 4.036 50 30 HIEARN CN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)C1(C#N)CCCCC1 ZINC000007763760 569307761 /nfs/dbraw/zinc/30/77/61/569307761.db2.gz BUJQHHFCZQYUEC-UHFFFAOYSA-N 0 0 401.561 4.118 50 30 HIEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3cccc(F)c3)S2)cc1Cl ZINC000252622215 569308031 /nfs/dbraw/zinc/30/80/31/569308031.db2.gz NQVHPKPOXHFBBN-MRXNPFEDSA-N 0 0 405.882 4.378 50 30 HIEARN Cc1ccc(CN2CCN(N=Cc3cc(Br)ccc3F)CC2)c(C)c1 ZINC000002232075 569319933 /nfs/dbraw/zinc/31/99/33/569319933.db2.gz RAPOAHJRFVLLAN-UHFFFAOYSA-N 0 0 404.327 4.357 50 30 HIEARN C=C(C)CSc1nc2nc3c(cc2c(=O)n1-c1ccc(OC)cc1)COC(C)(C)C3 ZINC000002287079 569364620 /nfs/dbraw/zinc/36/46/20/569364620.db2.gz VAZWWMPOJPIWAX-UHFFFAOYSA-N 0 0 423.538 4.309 50 30 HIEARN C#CC[C@]1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C ZINC000253432083 569370041 /nfs/dbraw/zinc/37/00/41/569370041.db2.gz IWEZZKHBCXJXKP-SPYBWZPUSA-N 0 0 402.457 4.017 50 30 HIEARN Cc1nc2c3cc(Br)ccc3[nH]c2c(=O)n1/N=C/c1ccc(Cl)cc1 ZINC000002317270 569373133 /nfs/dbraw/zinc/37/31/33/569373133.db2.gz RGBHJLJUTJKAQD-ZVBGSRNCSA-N 0 0 415.678 4.484 50 30 HIEARN CCc1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000002334518 569375904 /nfs/dbraw/zinc/37/59/04/569375904.db2.gz KIHLKPYZXYJSKY-SGEDCAFJSA-N 0 0 424.548 4.496 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cccc(OC(F)F)c1 ZINC000017970461 569381834 /nfs/dbraw/zinc/38/18/34/569381834.db2.gz UVLJFGXVCRVZDO-UNOMPAQXSA-N 0 0 401.409 4.325 50 30 HIEARN N#Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)c(F)c1 ZINC000000678650 569384108 /nfs/dbraw/zinc/38/41/08/569384108.db2.gz ZBBAEDILLKNCPY-UHFFFAOYSA-N 0 0 400.578 4.208 50 30 HIEARN CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O ZINC000002355467 569385360 /nfs/dbraw/zinc/38/53/60/569385360.db2.gz CEJYWJSEJHZTLS-WTLZDUFCSA-N 0 0 411.527 4.256 50 30 HIEARN CCOc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000068741025 569400013 /nfs/dbraw/zinc/40/00/13/569400013.db2.gz ZBEJVWLRXRDRKU-UHFFFAOYSA-N 0 0 421.478 4.010 50 30 HIEARN Cc1ccc(C)c(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCC2)c1 ZINC000002441039 569400594 /nfs/dbraw/zinc/40/05/94/569400594.db2.gz XTAZAYUJTFQPEA-OAQYLSRUSA-N 0 0 420.538 4.276 50 30 HIEARN Cn1c2ccc(NC(=O)c3ccccc3Sc3ccccc3C#N)cc2n(C)c1=O ZINC000012428060 569401201 /nfs/dbraw/zinc/40/12/01/569401201.db2.gz UUEWWFKMPRYIIG-UHFFFAOYSA-N 0 0 414.490 4.152 50 30 HIEARN C=C(C)COc1cc(C)cc2oc(=O)c(CC(=O)Nc3nc4ccccc4[nH]3)c(C)c12 ZINC000008765507 571115304 /nfs/dbraw/zinc/11/53/04/571115304.db2.gz DKZXHAHRMPIBMJ-UHFFFAOYSA-N 0 0 417.465 4.422 50 30 HIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000008778372 571118520 /nfs/dbraw/zinc/11/85/20/571118520.db2.gz SGONILQWDFZREG-NRFANRHFSA-N 0 0 423.563 4.093 50 30 HIEARN c1ccc(COc2ccc(CN=Nc3nnnn3-c3cccc4ccccc43)cc2)nc1 ZINC000008809768 571121111 /nfs/dbraw/zinc/12/11/11/571121111.db2.gz CFVJBXSPNDNEQT-WGOQTCKBSA-N 0 0 421.464 4.236 50 30 HIEARN C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000040030870 571140832 /nfs/dbraw/zinc/14/08/32/571140832.db2.gz QHYWKAJKEGESJK-QGZVFWFLSA-N 0 0 416.506 4.279 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)Nc3ccc(SC(F)(F)F)cc3)CC2)nc1 ZINC000040032290 571140858 /nfs/dbraw/zinc/14/08/58/571140858.db2.gz ZXVMQOUTSQYFSY-UHFFFAOYSA-N 0 0 406.433 4.420 50 30 HIEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000040089611 571159716 /nfs/dbraw/zinc/15/97/16/571159716.db2.gz ISZDQCXYHIKIJT-UNMCSNQZSA-N 0 0 422.488 4.311 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1 ZINC000040098921 571162448 /nfs/dbraw/zinc/16/24/48/571162448.db2.gz VKTFDJZADGXCRP-UHFFFAOYSA-N 0 0 410.521 4.499 50 30 HIEARN Cc1sc(NC(=O)Cn2c(=O)sc(C)c2-c2ccc(F)cc2)c(C#N)c1C ZINC000040129058 571180049 /nfs/dbraw/zinc/18/00/49/571180049.db2.gz VWCLILQGUVTPFE-UHFFFAOYSA-N 0 0 401.488 4.213 50 30 HIEARN COc1ccc([C@@H]2c3c4nc(-c5cccs5)nn4cnc3OC(C)=C2C(C)=O)cc1 ZINC000009041544 571214976 /nfs/dbraw/zinc/21/49/76/571214976.db2.gz WBTHSZDHVRSTNR-SFHVURJKSA-N 0 0 418.478 4.249 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3Cl)C2)cc1 ZINC000009088375 571219893 /nfs/dbraw/zinc/21/98/93/571219893.db2.gz HPLNFGDLASHBJG-QKKBWIMNSA-N 0 0 406.873 4.356 50 30 HIEARN C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21 ZINC000009129415 571227309 /nfs/dbraw/zinc/22/73/09/571227309.db2.gz QRTGTAISICODHX-IBGZPJMESA-N 0 0 420.690 4.096 50 30 HIEARN N#Cc1ccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000009217260 571237547 /nfs/dbraw/zinc/23/75/47/571237547.db2.gz FXRKNQQREFAUIY-UHFFFAOYSA-N 0 0 413.502 4.488 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009272100 571244518 /nfs/dbraw/zinc/24/45/18/571244518.db2.gz MIHOZRQIFJGDMO-FQEVSTJZSA-N 0 0 418.405 4.275 50 30 HIEARN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(O)cc1 ZINC000009324639 571248211 /nfs/dbraw/zinc/24/82/11/571248211.db2.gz UOJRDEIUMARCGB-IBGZPJMESA-N 0 0 409.825 4.417 50 30 HIEARN O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1ccco1 ZINC000009420357 571256854 /nfs/dbraw/zinc/25/68/54/571256854.db2.gz CWXFCMKZSRHKAW-ZDLGFXPLSA-N 0 0 402.811 4.317 50 30 HIEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000009420550 571256972 /nfs/dbraw/zinc/25/69/72/571256972.db2.gz OFTQNSWGUWDSAE-HIPMGEKLSA-N 0 0 417.255 4.396 50 30 HIEARN CCOC(=O)COc1ccc2c(c1)O/C(=C/c1cn(CC)c3ccc(OC)cc13)C2=O ZINC000009423534 571257536 /nfs/dbraw/zinc/25/75/36/571257536.db2.gz GXLQEMKQAHTKMV-LSHDLFTRSA-N 0 0 421.449 4.228 50 30 HIEARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccccc3OC(F)F)C12 ZINC000009487552 571262477 /nfs/dbraw/zinc/26/24/77/571262477.db2.gz BRAIBTVNYINTEW-YUNKPMOVSA-N 0 0 424.407 4.001 50 30 HIEARN COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2ccccc2F)C1=O ZINC000009846288 571288179 /nfs/dbraw/zinc/28/81/79/571288179.db2.gz YNQJRFSBPWKJGR-PSKGEBOYSA-N 0 0 422.840 4.438 50 30 HIEARN CCOC(=O)c1sc(/N=C/c2cc(Br)cc(OC)c2O)c(C#N)c1C ZINC000009934828 571290985 /nfs/dbraw/zinc/29/09/85/571290985.db2.gz JAACBVZYUGWQHU-DNTJNYDQSA-N 0 0 423.288 4.332 50 30 HIEARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000071328148 571292514 /nfs/dbraw/zinc/29/25/14/571292514.db2.gz HVFWFNINUWWYGQ-UHFFFAOYSA-N 0 0 415.478 4.236 50 30 HIEARN COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCc1ccc(C#N)cc1 ZINC000003412647 845018608 /nfs/dbraw/zinc/01/86/08/845018608.db2.gz FLSYPYCCZDHUAK-DEDYPNTBSA-N 0 0 401.466 4.301 50 30 HIEARN Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000005202857 845088369 /nfs/dbraw/zinc/08/83/69/845088369.db2.gz YKBYWDSVCGQCBS-NRFANRHFSA-N 0 0 419.506 4.451 50 30 HIEARN COc1ccc(/C=C/C(=O)C(C(=O)NCc2ccccc2)=C2SCCS2)cc1 ZINC000006940012 845226794 /nfs/dbraw/zinc/22/67/94/845226794.db2.gz SMMFPOBTVHJWDU-FMIVXFBMSA-N 0 0 411.548 4.286 50 30 HIEARN N#CCOC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000007706185 845393908 /nfs/dbraw/zinc/39/39/08/845393908.db2.gz BEWHMAOMLRLIRM-DHZHZOJOSA-N 0 0 408.255 4.382 50 30 HIEARN CCOc1c(Br)cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000013140916 845906696 /nfs/dbraw/zinc/90/66/96/845906696.db2.gz DICKOQCVAHPKKI-GQCTYLIASA-N 0 0 405.244 4.481 50 30 HIEARN C#CCCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000014964941 845995539 /nfs/dbraw/zinc/99/55/39/845995539.db2.gz XNLDMOYVZCGYTP-PSVMIJIFSA-N 0 0 407.485 4.449 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)c(OCC)c2)SC1=S ZINC000016247698 846141730 /nfs/dbraw/zinc/14/17/30/846141730.db2.gz GDQFIYGDPOMIDG-ATVHPVEESA-N 0 0 415.492 4.285 50 30 HIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc(Br)cc1 ZINC000018165907 846305125 /nfs/dbraw/zinc/30/51/25/846305125.db2.gz IOYWOYCDENIJTP-UNOMPAQXSA-N 0 0 414.299 4.487 50 30 HIEARN O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000035104769 848143433 /nfs/dbraw/zinc/14/34/33/848143433.db2.gz YPLXRWXLLHDKCO-WAPJZHGLSA-N 0 0 408.395 4.340 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2cccc(N(C)C)c2)NCc2ccncc2)c1 ZINC000045939456 848755749 /nfs/dbraw/zinc/75/57/49/848755749.db2.gz FSZGXMYIYINGMU-UHFFFAOYSA-N 0 0 401.514 4.108 50 30 HIEARN COc1cc2c(cc1OC)CN(C(=O)/C=C\c1cn(CCC#N)c3ccccc13)CC2 ZINC000096601755 852551393 /nfs/dbraw/zinc/55/13/93/852551393.db2.gz RFVIXCDXGNKKED-HJWRWDBZSA-N 0 0 415.493 4.170 50 30 HIEARN N#Cc1cccc(/C=C2/CN(c3ccccn3)C/C(=C/c3cccc(C#N)c3)C2=O)c1 ZINC000097096864 852582903 /nfs/dbraw/zinc/58/29/03/852582903.db2.gz PJOMHXSLDRRMEY-GACBQCINSA-N 0 0 402.457 4.381 50 30 HIEARN C=C1c2ccccc2C(=O)N1CC(=O)N1C(=Nc2ccccc2OCC)SC[C@H]1C ZINC000254290429 854209619 /nfs/dbraw/zinc/20/96/19/854209619.db2.gz IPFGOWOPDXGKHL-OAHLLOKOSA-N 0 0 421.522 4.163 50 30 HIEARN Cc1ccc(N2Cc3ccccc3C2=NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000254289944 854209842 /nfs/dbraw/zinc/20/98/42/854209842.db2.gz SIIFGLOZBJCNOZ-UHFFFAOYSA-N 0 0 416.393 4.419 50 30 HIEARN COCCn1c(C)cc(C=NN2C(=S)N=NC2Cc2cccc3ccccc32)c1C ZINC000254391692 854210415 /nfs/dbraw/zinc/21/04/15/854210415.db2.gz RAYZZVZIGNCIIG-UHFFFAOYSA-N 0 0 419.554 4.258 50 30 HIEARN CN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc2c(c1)OCCO2 ZINC000254490371 854211735 /nfs/dbraw/zinc/21/17/35/854211735.db2.gz JZYHAJZGKOPPNU-UHFFFAOYSA-N 0 0 417.437 4.002 50 30 HIEARN COC(=O)c1ccc(COc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000254705234 854213290 /nfs/dbraw/zinc/21/32/90/854213290.db2.gz BPXSCTHKRFEAOA-UHFFFAOYSA-N 0 0 405.410 4.406 50 30 HIEARN S=C1N=NC(Cc2ccc(Br)cc2)N1N=Cc1ccc(Cl)cc1 ZINC000254699379 854213348 /nfs/dbraw/zinc/21/33/48/854213348.db2.gz NUXJGRDUAJMINJ-UHFFFAOYSA-N 0 0 407.724 4.456 50 30 HIEARN CN=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccc(N2CCOCC2)cc1 ZINC000254818041 854215368 /nfs/dbraw/zinc/21/53/68/854215368.db2.gz BGCBDZISADHPIU-UHFFFAOYSA-N 0 0 418.522 4.212 50 30 HIEARN Cc1cccc(N2C(=O)N(Cc3ccc(C#N)cc3)c3ccccc3S2(=O)=O)c1 ZINC000006918527 132320822 /nfs/dbraw/zinc/32/08/22/132320822.db2.gz LADGMPOHRPDFDK-UHFFFAOYSA-N 0 0 403.463 4.202 50 30 HIEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C(=O)COc4ccccc43)sc2C1 ZINC000008390923 132329906 /nfs/dbraw/zinc/32/99/06/132329906.db2.gz POXFXFZIOAHXMN-CQSZACIVSA-N 0 0 423.538 4.135 50 30 HIEARN Cc1ccc(N2C(=O)N(Cc3cccc(C#N)c3)c3ccccc3S2(=O)=O)cc1 ZINC000009664119 132342238 /nfs/dbraw/zinc/34/22/38/132342238.db2.gz ZHIDCWUJPBFRIP-UHFFFAOYSA-N 0 0 403.463 4.202 50 30 HIEARN C#CCN1c2ccc(C)cc2[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)C1=O ZINC000032103214 518273403 /nfs/dbraw/zinc/27/34/03/518273403.db2.gz OLYQMLNBYKLZDH-QHCPKHFHSA-N 0 0 416.868 4.092 50 30 HIEARN C/C(=N/OC(=O)c1ccc(C)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000100939220 518455622 /nfs/dbraw/zinc/45/56/22/518455622.db2.gz GKZDMJOBRMXDFM-ZRRUGVMFSA-N 0 0 404.466 4.256 50 30 HIEARN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000040121811 518743366 /nfs/dbraw/zinc/74/33/66/518743366.db2.gz NTEXEMNOIHWQCH-LBPRGKRZSA-N 0 0 413.952 4.091 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000007780941 518798089 /nfs/dbraw/zinc/79/80/89/518798089.db2.gz VIDMOVUEYNAKRV-KRWDZBQOSA-N 0 0 407.470 4.036 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)C)c1 ZINC000006938955 518816468 /nfs/dbraw/zinc/81/64/68/518816468.db2.gz URQXAYYKIQPAHX-UHFFFAOYSA-N 0 0 406.935 4.107 50 30 HIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009331361 518835216 /nfs/dbraw/zinc/83/52/16/518835216.db2.gz RUCVKVZYJCJKSB-KRWDZBQOSA-N 0 0 416.246 4.353 50 30 HIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccc(OC)cc2)c1Oc1ccc(OC)cc1 ZINC000037546830 518885499 /nfs/dbraw/zinc/88/54/99/518885499.db2.gz VMGMQCFEFIUCDY-UHFFFAOYSA-N 0 0 421.497 4.225 50 30 HIEARN C=CCNC(=O)N1CCc2nc(N3CCC(C)CC3)nc(Oc3ccc(C)cc3)c2C1 ZINC000096280941 518904677 /nfs/dbraw/zinc/90/46/77/518904677.db2.gz SDEYXLFQSVINKE-UHFFFAOYSA-N 0 0 421.545 4.067 50 30 HIEARN C=CCOc1ccc(/C=C/C(=O)N(Cc2ccc(OC)cc2OC)C2CC2)cc1OC ZINC000025761467 519010831 /nfs/dbraw/zinc/01/08/31/519010831.db2.gz JBYRAQVMSRKSRF-NTUHNPAUSA-N 0 0 423.509 4.482 50 30 HIEARN C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000040157300 519011692 /nfs/dbraw/zinc/01/16/92/519011692.db2.gz RLROHTDPEIZXAZ-PSNUSJGWSA-N 0 0 421.493 4.312 50 30 HIEARN C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 ZINC000027662201 519027762 /nfs/dbraw/zinc/02/77/62/519027762.db2.gz ZIHOVYXETAEDQE-UHFFFAOYSA-N 0 0 400.232 4.316 50 30 HIEARN C=CCOc1ccccc1CN(C(=O)c1ccccn1)c1ccc2c(c1)OCCO2 ZINC000012602642 519066844 /nfs/dbraw/zinc/06/68/44/519066844.db2.gz UKXIWOSQQDJNBO-UHFFFAOYSA-N 0 0 402.450 4.265 50 30 HIEARN C=CCc1cc(/C=C2\NC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000033347507 519126566 /nfs/dbraw/zinc/12/65/66/519126566.db2.gz ROWGLWHBMQRYEE-ZHZULCJRSA-N 0 0 404.466 4.081 50 30 HIEARN C=CCn1c(SCC(=O)OC(C)(C)C)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033274012 519229161 /nfs/dbraw/zinc/22/91/61/519229161.db2.gz FKMTZNKAHRNGEH-UHFFFAOYSA-N 0 0 411.527 4.022 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(Cl)cc1 ZINC000009304102 519258137 /nfs/dbraw/zinc/25/81/37/519258137.db2.gz VHDXNNDWXHGLKB-SNVBAGLBSA-N 0 0 420.951 4.064 50 30 HIEARN C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1ccco1 ZINC000023201970 519260211 /nfs/dbraw/zinc/26/02/11/519260211.db2.gz SJYUYMXSSJXTJG-GFCCVEGCSA-N 0 0 413.528 4.492 50 30 HIEARN CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1I ZINC000012463528 519438131 /nfs/dbraw/zinc/43/81/31/519438131.db2.gz UIDAKQLJJKJYEN-YBEGLDIGSA-N 0 0 421.259 4.474 50 30 HIEARN CC(C)CNc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(Cl)cc1 ZINC000032828795 519749818 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CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(Cl)c1 ZINC000000655820 520504636 /nfs/dbraw/zinc/50/46/36/520504636.db2.gz JMAQIXQRKYAVBR-IBGZPJMESA-N 0 0 409.869 4.480 50 30 HIEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OC ZINC000019972692 520688861 /nfs/dbraw/zinc/68/88/61/520688861.db2.gz OEYCKJDKOVPRMW-UHFFFAOYSA-N 0 0 401.890 4.448 50 30 HIEARN CCOc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2OC)C2CC2)cc1 ZINC000052165796 521028602 /nfs/dbraw/zinc/02/86/02/521028602.db2.gz ACWPDFNIOOFGQR-UHFFFAOYSA-N 0 0 407.514 4.005 50 30 HIEARN CCC[C@H](C)Nc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032829267 521062264 /nfs/dbraw/zinc/06/22/64/521062264.db2.gz FGYVZIDPHMFQSJ-LIRRHRJNSA-N 0 0 412.490 4.408 50 30 HIEARN CCC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000036093490 521255567 /nfs/dbraw/zinc/25/55/67/521255567.db2.gz FOXYDHCYCFBZHT-LSIOVLHASA-N 0 0 424.570 4.395 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1OC ZINC000097105075 521276594 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COC(=O)c1cnc(N=NC(C)c2ccc3cc(OC)ccc3c2)nc1C(F)(F)F ZINC000020615094 522337820 /nfs/dbraw/zinc/33/78/20/522337820.db2.gz HYMLWZCCIKLECC-KBKYJPHKSA-N 0 0 418.375 4.280 50 30 HIEARN COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OC(=O)c1cccc(Cl)c1 ZINC000001405896 522398870 /nfs/dbraw/zinc/39/88/70/522398870.db2.gz AQCDLLADVUXMDW-SSDVNMTOSA-N 0 0 418.236 4.157 50 30 HIEARN COc1ccc(CN=Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1OC ZINC000031904625 523462297 /nfs/dbraw/zinc/46/22/97/523462297.db2.gz QLOZLOBODCIGBE-GRSHGNNSSA-N 0 0 402.501 4.293 50 30 HIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(C)cc1)NCc1c(C)nn(C)c1C ZINC000032972701 523817376 /nfs/dbraw/zinc/81/73/76/523817376.db2.gz OZUCXYNSXDNKLE-UHFFFAOYSA-N 0 0 419.529 4.060 50 30 HIEARN Cc1ccc(CNC=C2C(=O)c3sccc3N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000020575646 524426729 /nfs/dbraw/zinc/42/67/29/524426729.db2.gz AOFYHNCRNMWDKM-ZHZULCJRSA-N 0 0 424.547 4.220 50 30 HIEARN Cc1ccc(CN2c3ccccc3C(=O)C(=CNCc3ccccc3)S2(=O)=O)cc1 ZINC000020558836 524486469 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408.889 4.259 50 30 HIEARN Cc1cc(=N)n(C(=NCc2ccc3c(c2)OCO3)Nc2ccc(Cl)cc2)s1 ZINC000020343792 526097647 /nfs/dbraw/zinc/09/76/47/526097647.db2.gz CJMUSADWTWPQID-UHFFFAOYSA-N 0 0 400.891 4.045 50 30 HIEARN COc1cccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)c1 ZINC000020558864 526137870 /nfs/dbraw/zinc/13/78/70/526137870.db2.gz KRZUWSKIKRGRNF-PXLXIMEGSA-N 0 0 420.490 4.181 50 30 HIEARN Cc1cc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000044030361 526216926 /nfs/dbraw/zinc/21/69/26/526216926.db2.gz FUINRJFPHDZLRJ-UHFFFAOYSA-N 0 0 416.525 4.320 50 30 HIEARN Cc1nn2c(nc(-c3ccccc3)cc2N2CCN(CC#N)CC2)c1-c1ccccc1 ZINC000020589619 526309757 /nfs/dbraw/zinc/30/97/57/526309757.db2.gz NABMIGAQGOPBKR-UHFFFAOYSA-N 0 0 408.509 4.017 50 30 HIEARN N#CCN(C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2)c1ccccc1 ZINC000021326164 526469380 /nfs/dbraw/zinc/46/93/80/526469380.db2.gz HQJLFZVHOQBBIX-UHFFFAOYSA-N 0 0 402.523 4.400 50 30 HIEARN N#CCn1c(CN2CCc3ccccc3C2)nc2scc(-c3ccccc3)c2c1=O ZINC000023936447 526487454 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4.439 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(C)c1)Nc1cc(C)ccc1C ZINC000032973575 527622830 /nfs/dbraw/zinc/62/28/30/527622830.db2.gz ODITVAHCCVGFFR-UHFFFAOYSA-N 0 0 417.557 4.403 50 30 HIEARN Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cccc(C)c1)Nc1cc(C)cc(C)c1 ZINC000032973686 527623977 /nfs/dbraw/zinc/62/39/77/527623977.db2.gz DAJWZCOAVZAGCV-UHFFFAOYSA-N 0 0 417.557 4.403 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(F)cc1 ZINC000032972570 527627471 /nfs/dbraw/zinc/62/74/71/527627471.db2.gz NTFFDMOUHUXQLP-UHFFFAOYSA-N 0 0 407.493 4.191 50 30 HIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)cc1)Nc1cccc(C)c1C ZINC000032972699 527627834 /nfs/dbraw/zinc/62/78/34/527627834.db2.gz PRNGQTNTQSRJEF-UHFFFAOYSA-N 0 0 403.530 4.360 50 30 HIEARN O=C(/N=C1/SCC(=O)N1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000102948043 527660976 /nfs/dbraw/zinc/66/09/76/527660976.db2.gz GGGYZBYUCARLCU-KNTRCKAVSA-N 0 0 409.692 4.379 50 30 HIEARN O=C(N=C(Nc1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000032946288 527661262 /nfs/dbraw/zinc/66/12/62/527661262.db2.gz UBRKWSMUGJYBEJ-UHFFFAOYSA-N 0 0 402.473 4.256 50 30 HIEARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1 ZINC000000849098 557100426 /nfs/dbraw/zinc/10/04/26/557100426.db2.gz FDHVPWGXQWGQEY-DVCONVQISA-N 0 0 417.918 4.247 50 30 HIEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000001026937 557145383 /nfs/dbraw/zinc/14/53/83/557145383.db2.gz OERQTKIAFUROPE-CAOOACKPSA-N 0 0 405.281 4.361 50 30 HIEARN COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(F)cc1 ZINC000001206884 557241276 /nfs/dbraw/zinc/24/12/76/557241276.db2.gz GTGDISRUOCLENI-DHRITJCHSA-N 0 0 404.397 4.043 50 30 HIEARN CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001738081 557283743 /nfs/dbraw/zinc/28/37/43/557283743.db2.gz IYAUMDBHRRNICE-QINSGFPZSA-N 0 0 407.517 4.188 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000002055121 557302149 /nfs/dbraw/zinc/30/21/49/557302149.db2.gz CLFWNRKJJUMAAW-LJQANCHMSA-N 0 0 403.906 4.134 50 30 HIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1 ZINC000002055486 557302764 /nfs/dbraw/zinc/30/27/64/557302764.db2.gz KBJMELLKXXIOLC-SFHVURJKSA-N 0 0 402.288 4.146 50 30 HIEARN COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002057145 557303228 /nfs/dbraw/zinc/30/32/28/557303228.db2.gz RVVZCQCPKGTXRR-LJQANCHMSA-N 0 0 403.906 4.134 50 30 HIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1coc2ccccc2c1=O ZINC000002088212 557312081 /nfs/dbraw/zinc/31/20/81/557312081.db2.gz JMXOYGFQQPQNEQ-QFIPXVFZSA-N 0 0 421.493 4.494 50 30 biogenic HIEARN N#Cc1c(F)cccc1N1CCC([C@@H]2CCCCCN2C(=O)C2CCOCC2)CC1 ZINC000071890491 557316245 /nfs/dbraw/zinc/31/62/45/557316245.db2.gz RMBMKNVRWOHTID-QFIPXVFZSA-N 0 0 413.537 4.112 50 30 HIEARN CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c(O)c1 ZINC000002352513 557339584 /nfs/dbraw/zinc/33/95/84/557339584.db2.gz XVKLZXSQQCLCRP-CIAFOILYSA-N 0 0 401.923 4.321 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccc(F)cc2)C1=O ZINC000004321370 557540686 /nfs/dbraw/zinc/54/06/86/557540686.db2.gz ZRQRPPPAMPWKMF-WJDWOHSUSA-N 0 0 414.414 4.278 50 30 HIEARN Cc1cc(C)c2c(n1)sc1c2nnn(/N=C/c2ccc(Cl)cc2Cl)c1=O ZINC000004334933 557543299 /nfs/dbraw/zinc/54/32/99/557543299.db2.gz YTIHFKMAOCRLTF-IFRROFPPSA-N 0 0 404.282 4.207 50 30 HIEARN Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)C=Cc3ccco3)c3ccccc32)c1 ZINC000004556277 557567621 /nfs/dbraw/zinc/56/76/21/557567621.db2.gz OZZDUYPYFAEULX-CJZRDCOESA-N 0 0 401.462 4.303 50 30 HIEARN CC(=O)N[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000004578235 557569646 /nfs/dbraw/zinc/56/96/46/557569646.db2.gz GTLULQKVHSFWIX-XYHOIZSOSA-N 0 0 400.693 4.344 50 30 HIEARN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000004616940 557573162 /nfs/dbraw/zinc/57/31/62/557573162.db2.gz NYHPTIGRDFLSOR-JFMUQQRKSA-N 0 0 404.386 4.395 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1=O ZINC000004667418 557578885 /nfs/dbraw/zinc/57/88/85/557578885.db2.gz NLIGZSDTODZUGQ-WEVVVXLNSA-N 0 0 418.287 4.154 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004728220 557587651 /nfs/dbraw/zinc/58/76/51/557587651.db2.gz ZMPGILGSMDMTDK-VGOFRKELSA-N 0 0 418.449 4.129 50 30 HIEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)c(OC)c2)C3)cc1 ZINC000004915174 557613612 /nfs/dbraw/zinc/61/36/12/557613612.db2.gz AXPPOSDLYTYXHI-MJGOQNOKSA-N 0 0 421.493 4.107 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000005048468 557629934 /nfs/dbraw/zinc/62/99/34/557629934.db2.gz LDQQBJIDDDYHHM-CTJICSLTSA-N 0 0 408.310 4.166 50 30 HIEARN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3Cl)S2)cc1 ZINC000005094627 557635162 /nfs/dbraw/zinc/63/51/62/557635162.db2.gz KYXWGMOYNPJYMB-CTJICSLTSA-N 0 0 408.310 4.166 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)cc1 ZINC000005490605 557657297 /nfs/dbraw/zinc/65/72/97/557657297.db2.gz PTYSQJROJTUCIN-OAQYLSRUSA-N 0 0 402.425 4.308 50 30 HIEARN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000005595922 557664269 /nfs/dbraw/zinc/66/42/69/557664269.db2.gz PCYISRJYFQJHBD-MJGOQNOKSA-N 0 0 415.848 4.236 50 30 HIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005931421 557681389 /nfs/dbraw/zinc/68/13/89/557681389.db2.gz BXJNJJCREKDEQP-LRDDRELGSA-N 0 0 410.543 4.256 50 30 HIEARN Cc1cccc(NC(=O)c2c(N)n(/N=C/c3ccco3)c3nc4ccccc4nc32)c1 ZINC000002369696 557698073 /nfs/dbraw/zinc/69/80/73/557698073.db2.gz YMJVBKMWKVKVHJ-DHRITJCHSA-N 0 0 410.437 4.203 50 30 HIEARN CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@H]1OC[C@@H](COc2ccc(Cl)cc2)O1 ZINC000006668561 557713371 /nfs/dbraw/zinc/71/33/71/557713371.db2.gz JCJSLEPZQOKZPH-ZHRRBRCNSA-N 0 0 412.869 4.492 50 30 HIEARN CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@@H]1OC[C@@H](COc2ccc(Cl)cc2)O1 ZINC000006668560 557713398 /nfs/dbraw/zinc/71/33/98/557713398.db2.gz JCJSLEPZQOKZPH-OPAMFIHVSA-N 0 0 412.869 4.492 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000006691032 557715307 /nfs/dbraw/zinc/71/53/07/557715307.db2.gz OHKWUMRDWBXIFC-RHSMWYFYSA-N 0 0 403.887 4.159 50 30 HIEARN N#CCCn1cc(C=CC(=O)OCC(=O)c2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000002628667 557736823 /nfs/dbraw/zinc/73/68/23/557736823.db2.gz MZLKXSJKNUJUBT-FMIVXFBMSA-N 0 0 403.413 4.042 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(N(C)C)cc2)C1=O ZINC000002967983 557774764 /nfs/dbraw/zinc/77/47/64/557774764.db2.gz XIGWSKUVXYICKK-QGOAFFKASA-N 0 0 412.486 4.435 50 30 HIEARN O=C1N/C(=N/c2ccc(O)cc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008419247 557787442 /nfs/dbraw/zinc/78/74/42/557787442.db2.gz DNQVDOJDDYRZRY-WOJGMQOQSA-N 0 0 407.407 4.452 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019772344 558280267 /nfs/dbraw/zinc/28/02/67/558280267.db2.gz MCZUECQATIWKAX-VLIAUNLRSA-N 0 0 401.528 4.074 50 30 HIEARN CCCN1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000019805322 558285780 /nfs/dbraw/zinc/28/57/80/558285780.db2.gz BYMKRWHYWQDRHG-OMYAATJGSA-N 0 0 407.426 4.265 50 30 aggregator HIEARN COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1Br ZINC000019882194 558301346 /nfs/dbraw/zinc/30/13/46/558301346.db2.gz OHNGBZZTEFSPSV-LPYMAVHISA-N 0 0 422.754 4.263 50 30 HIEARN N#CCc1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000020041497 558326072 /nfs/dbraw/zinc/32/60/72/558326072.db2.gz PLWZONPNZXQAGS-UHFFFAOYSA-N 0 0 418.424 4.266 50 30 HIEARN COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(Cc2ccc(F)cc2)C1=O ZINC000020220366 558348902 /nfs/dbraw/zinc/34/89/02/558348902.db2.gz OMOQNHHJNARVJV-PSKGEBOYSA-N 0 0 422.840 4.438 50 30 HIEARN CC1(C)CC(=O)C=C(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)O1 ZINC000012298912 558369033 /nfs/dbraw/zinc/36/90/33/558369033.db2.gz QTPGAFGFXXYABG-QHCPKHFHSA-N 0 0 418.468 4.433 50 30 HIEARN COc1ccc(CN2C(=O)CS/C2=N/N=C(/C)c2ccc(OC(C)C)cc2)cc1 ZINC000012437290 558409339 /nfs/dbraw/zinc/40/93/39/558409339.db2.gz APNCGXUGASGTDJ-BETBSNSTSA-N 0 0 411.527 4.338 50 30 HIEARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3cc(C#N)ccc3F)c12 ZINC000010776058 558446194 /nfs/dbraw/zinc/44/61/94/558446194.db2.gz VNCBAEWRCGYGAF-UHFFFAOYSA-N 0 0 400.413 4.312 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C)C2)c(OC)c1 ZINC000013127047 558518859 /nfs/dbraw/zinc/51/88/59/558518859.db2.gz MBXMRLIGVHEUNK-WNSKOXEYSA-N 0 0 416.481 4.019 50 30 HIEARN COc1cc(Br)cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c1O ZINC000013476975 558534218 /nfs/dbraw/zinc/53/42/18/558534218.db2.gz NNAVDYXPZKWOLI-RIYZIHGNSA-N 0 0 405.273 4.055 50 30 HIEARN CN(C)S(=O)(=O)c1ccc(-c2csc(N=NCc3cccc(Cl)c3)n2)cc1 ZINC000013584206 558545692 /nfs/dbraw/zinc/54/56/92/558545692.db2.gz WPMIXVPWDVVQBN-RGVLZGJSSA-N 0 0 420.947 4.160 50 30 HIEARN CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/CC)S2)cc1 ZINC000013685997 558569648 /nfs/dbraw/zinc/56/96/48/558569648.db2.gz WYABFTGTROFIIB-ZREAOVPFSA-N 0 0 405.564 4.314 50 30 HIEARN COc1ccc(-c2nnc(S/C(=N/Nc3ccccc3Cl)C(C)=O)n2C)cc1 ZINC000013801033 558594519 /nfs/dbraw/zinc/59/45/19/558594519.db2.gz VXVPNBGWDZMDDI-PTGBLXJZSA-N 0 0 415.906 4.251 50 30 HIEARN COc1ccc(-c2nnc(S/C(=N/Nc3cccc(Cl)c3)C(C)=O)n2C)cc1 ZINC000013810373 558595408 /nfs/dbraw/zinc/59/54/08/558595408.db2.gz QHMLTWHJWREUNJ-PTGBLXJZSA-N 0 0 415.906 4.251 50 30 HIEARN C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)Nc1cccc(C#N)c1 ZINC000004495001 558610237 /nfs/dbraw/zinc/61/02/37/558610237.db2.gz VMSHQLPSVBRKEQ-ZDUSSCGKSA-N 0 0 404.447 4.363 50 30 HIEARN C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)Nc1cccc(C#N)c1 ZINC000004495002 558610388 /nfs/dbraw/zinc/61/03/88/558610388.db2.gz VMSHQLPSVBRKEQ-CYBMUJFWSA-N 0 0 404.447 4.363 50 30 HIEARN Cc1ccc(CN(C)Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)c(C)c1 ZINC000014202366 558637585 /nfs/dbraw/zinc/63/75/85/558637585.db2.gz BNSKVUFAKOUIEI-UHFFFAOYSA-N 0 0 406.555 4.109 50 30 HIEARN CCCN1c2ccc(Br)cc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004554720 558722756 /nfs/dbraw/zinc/72/27/56/558722756.db2.gz INLUOOMXUZXHDE-FLJMFPIGSA-N 0 0 414.299 4.066 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1F ZINC000016729244 558802189 /nfs/dbraw/zinc/80/21/89/558802189.db2.gz DNZSQIZGOPROJC-NRFANRHFSA-N 0 0 418.424 4.008 50 30 HIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1 ZINC000016732445 558802414 /nfs/dbraw/zinc/80/24/14/558802414.db2.gz QFOYKUIBJIQMIW-IFMALSPDSA-N 0 0 419.477 4.009 50 30 HIEARN CC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccc([C@@H](C)CC)cc1 ZINC000017082913 558815347 /nfs/dbraw/zinc/81/53/47/558815347.db2.gz UNMSFMDUYTVQNO-RHNCAKJLSA-N 0 0 404.532 4.310 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000017857732 558828423 /nfs/dbraw/zinc/82/84/23/558828423.db2.gz YXOSJGCBJULENR-LJQANCHMSA-N 0 0 408.841 4.415 50 30 HIEARN N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000033011058 558830432 /nfs/dbraw/zinc/83/04/32/558830432.db2.gz NWNYKEOWMNJGBJ-UHFFFAOYSA-N 0 0 408.414 4.398 50 30 HIEARN C[C@](CO)(NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCCCC1 ZINC000072313601 558840594 /nfs/dbraw/zinc/84/05/94/558840594.db2.gz PAGXJNXUPCWZGT-XMMPIXPASA-N 0 0 420.513 4.263 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000013653820 558851107 /nfs/dbraw/zinc/85/11/07/558851107.db2.gz GGSMOFWEZDPHKD-MNAFEPAFSA-N 0 0 407.466 4.169 50 30 HIEARN CCOc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)cc1 ZINC000004616487 558862619 /nfs/dbraw/zinc/86/26/19/558862619.db2.gz RMIXBPVVELGOEI-UHFFFAOYSA-N 0 0 409.511 4.238 50 30 HIEARN COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nc(C)cs2)cc1 ZINC000022187363 558864138 /nfs/dbraw/zinc/86/41/38/558864138.db2.gz ULOYHZUWRSLSJD-UHFFFAOYSA-N 0 0 412.540 4.470 50 30 HIEARN CCCCCCCCCCCCCCCCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C ZINC000097949461 558983871 /nfs/dbraw/zinc/98/38/71/558983871.db2.gz FYYKCDCNQJQMOY-UHFFFAOYSA-N 0 0 420.602 4.190 50 30 HIEARN CCCCCCCCCCCCS(=O)(=O)CCS(=O)(=O)OCC(F)(F)F ZINC000097985135 559008455 /nfs/dbraw/zinc/00/84/55/559008455.db2.gz OIUBMDQQZLOAFQ-UHFFFAOYSA-N 0 0 424.547 4.231 50 30 HIEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccn(-c4ccccc4F)n3)s2)cc1 ZINC000097256303 559014748 /nfs/dbraw/zinc/01/47/48/559014748.db2.gz UJJQOIVPBYLMOV-UHFFFAOYSA-N 0 0 403.442 4.183 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1OC ZINC000004736369 559035722 /nfs/dbraw/zinc/03/57/22/559035722.db2.gz PVCGECASBJOHHL-CYBMUJFWSA-N 0 0 415.544 4.024 50 30 HIEARN CN(/N=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000004762820 559054148 /nfs/dbraw/zinc/05/41/48/559054148.db2.gz IISFDUHIBNDCRQ-SRZZPIQSSA-N 0 0 406.423 4.295 50 30 HIEARN C=CC[C@@]1(C#N)C(=S)NC(c2ccccc2)=C(C(=O)OCC)[C@@H]1c1cccnc1 ZINC000100100860 559129775 /nfs/dbraw/zinc/12/97/75/559129775.db2.gz JARYIWRELCNLKV-CVDCTZTESA-N 0 0 403.507 4.156 50 30 HIEARN Cc1ccc([C@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100553613 559136379 /nfs/dbraw/zinc/13/63/79/559136379.db2.gz BNGIKVUABZUKQY-GCJKJVERSA-N 0 0 409.526 4.321 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(F)cc1 ZINC000100992096 559142498 /nfs/dbraw/zinc/14/24/98/559142498.db2.gz VZGNSJRHINEFPF-OVJLLXBISA-N 0 0 401.438 4.111 50 30 HIEARN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000100129400 559162086 /nfs/dbraw/zinc/16/20/86/559162086.db2.gz YJJUWHCQQJXVDG-AZUAARDMSA-N 0 0 402.494 4.285 50 30 HIEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C ZINC000004835094 559165473 /nfs/dbraw/zinc/16/54/73/559165473.db2.gz JJNVBKAQWKRKNY-UHFFFAOYSA-N 0 0 419.554 4.239 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1OC ZINC000100302876 559193685 /nfs/dbraw/zinc/19/36/85/559193685.db2.gz ZFUUNIQSUBNLDS-HOGKFDNTSA-N 0 0 415.445 4.330 50 30 HIEARN CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004889133 559197736 /nfs/dbraw/zinc/19/77/36/559197736.db2.gz WMVWANYBUHFNCK-ZNVYLOEZSA-N 0 0 411.527 4.338 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1OC ZINC000004919754 559204713 /nfs/dbraw/zinc/20/47/13/559204713.db2.gz QIHNZDIMQCMAJX-FDDCHVKYSA-N 0 0 410.466 4.032 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1OCC ZINC000004919865 559204851 /nfs/dbraw/zinc/20/48/51/559204851.db2.gz WQQZXKBKMVWZJF-NTKDMRAZSA-N 0 0 424.493 4.422 50 30 HIEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)cc1O ZINC000004949388 559214846 /nfs/dbraw/zinc/21/48/46/559214846.db2.gz VSKWZBJPVJLOBI-NRFANRHFSA-N 0 0 416.481 4.317 50 30 HIEARN Cc1cc(C)c(C#N)c(SC[C@H](O)C[S@@](=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000004978405 559220346 /nfs/dbraw/zinc/22/03/46/559220346.db2.gz FLRDSWCWZAJOGJ-SOKVYYICSA-N 0 0 402.585 4.128 50 30 HIEARN CCOC(=O)c1c2c(sc1NC(C)=O)/C(=N\O)[C@H](Sc1ccccc1)CC2 ZINC000100563388 559227687 /nfs/dbraw/zinc/22/76/87/559227687.db2.gz IOEXOESFPUIGLA-VDVBZYJVSA-N 0 0 404.513 4.169 50 30 HIEARN CSc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005205651 560539345 /nfs/dbraw/zinc/53/93/45/560539345.db2.gz KLJUEGBQOJNGPH-QKKBWIMNSA-N 0 0 404.495 4.121 50 30 HIEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br ZINC000000846551 560554523 /nfs/dbraw/zinc/55/45/23/560554523.db2.gz DTWLLLDRLDKDFY-KRWDZBQOSA-N 0 0 401.260 4.019 50 30 biogenic HIEARN COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(=O)C(C)C)cc1)=C2 ZINC000062001632 560565908 /nfs/dbraw/zinc/56/59/08/560565908.db2.gz XODSXOFDYASMLW-UHFFFAOYSA-N 0 0 408.498 4.010 50 30 HIEARN CCc1sc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1Br ZINC000005399957 560583337 /nfs/dbraw/zinc/58/33/37/560583337.db2.gz VJOONURAUUCORG-QGZVFWFLSA-N 0 0 410.333 4.214 50 30 HIEARN O=C(C1=C(O)C(=O)N(CCc2ccc(O)cc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000005491361 560597507 /nfs/dbraw/zinc/59/75/07/560597507.db2.gz SUMNRIOHKCTGNC-JOCHJYFZSA-N 0 0 417.436 4.352 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1)c1ccc(Cl)cc1 ZINC000005491266 560597543 /nfs/dbraw/zinc/59/75/43/560597543.db2.gz LMXPZIHWAYOCLK-WMLDXEAASA-N 0 0 403.887 4.159 50 30 HIEARN C=CCNC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCC2 ZINC000005638987 560635902 /nfs/dbraw/zinc/63/59/02/560635902.db2.gz XNAXJLQODKTJOJ-UHFFFAOYSA-N 0 0 404.919 4.214 50 30 HIEARN CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccc(Cl)cc1 ZINC000100973931 560765079 /nfs/dbraw/zinc/76/50/79/560765079.db2.gz VQNICDCUAAHJBZ-CBFHDUEPSA-N 0 0 412.945 4.083 50 30 HIEARN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)ccc1O ZINC000018067414 560774619 /nfs/dbraw/zinc/77/46/19/560774619.db2.gz SVAISUDVKHCHPA-NRFANRHFSA-N 0 0 409.482 4.334 50 30 HIEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccn2)nc1 ZINC000018155401 560780315 /nfs/dbraw/zinc/78/03/15/560780315.db2.gz DRRZZYAKAIKQLL-JOCHJYFZSA-N 0 0 402.498 4.028 50 30 HIEARN COc1ccc([C@@H]2c3c(C)[nH]nc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1O ZINC000018198335 560783486 /nfs/dbraw/zinc/78/34/86/560783486.db2.gz IOPGHBKHZCAHAI-ZUOKHONESA-N 0 0 407.495 4.452 50 30 HIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccco3)C1)[C@@H]2c1cccnc1 ZINC000018199757 560783857 /nfs/dbraw/zinc/78/38/57/560783857.db2.gz CWDCOANPEPCYPJ-KKSFZXQISA-N 0 0 424.460 4.112 50 30 HIEARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cccc(OC)c3)C(=O)N2CC)cc1 ZINC000101514522 560796885 /nfs/dbraw/zinc/79/68/85/560796885.db2.gz FDOYIEOWLLFFGR-UVOXWLTBSA-N 0 0 410.495 4.496 50 30 HIEARN Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3sc4c(c3C#N)CCCC4)C2=O)c1 ZINC000101530245 560797050 /nfs/dbraw/zinc/79/70/50/560797050.db2.gz SVKJXQICIMWACL-LFIBNONCSA-N 0 0 406.467 4.226 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000102539859 560814029 /nfs/dbraw/zinc/81/40/29/560814029.db2.gz SSAQPQIWTNVZDH-HOGKFDNTSA-N 0 0 415.445 4.330 50 30 HIEARN CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1)c1cccs1 ZINC000102709435 560820983 /nfs/dbraw/zinc/82/09/83/560820983.db2.gz LDSKNQUMBCLNKY-IXCJUEIHSA-N 0 0 422.506 4.066 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000102803567 560826689 /nfs/dbraw/zinc/82/66/89/560826689.db2.gz SOVZRZWRDVTWNC-YDJIHCHBSA-N 0 0 420.852 4.370 50 30 HIEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102799060 560828192 /nfs/dbraw/zinc/82/81/92/560828192.db2.gz VNVHSDQGIMZGKY-DPEHCCBOSA-N 0 0 412.294 4.123 50 30 HIEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1Cc1ccco1 ZINC000102874745 560830457 /nfs/dbraw/zinc/83/04/57/560830457.db2.gz TXTJODRPFTZDKC-JBCNATCCSA-N 0 0 403.434 4.219 50 30 HIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000102881357 560833763 /nfs/dbraw/zinc/83/37/63/560833763.db2.gz XSXUBWFVAGHDNT-MRJHHRETSA-N 0 0 414.417 4.217 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccccc2)cc1 ZINC000102926739 560834422 /nfs/dbraw/zinc/83/44/22/560834422.db2.gz XUZZUBPTMXZNPS-GHNGSUTGSA-N 0 0 406.463 4.168 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1 ZINC000102927875 560834555 /nfs/dbraw/zinc/83/45/55/560834555.db2.gz MXALZZOWKTUPDV-NHFXJNLRSA-N 0 0 407.397 4.049 50 30 HIEARN O=C1C(=O)N(c2nccs2)[C@H](c2cccs2)C1=C([O-])c1ccc(Cl)cc1 ZINC000104190782 560849694 /nfs/dbraw/zinc/84/96/94/560849694.db2.gz INEAPZUXKHWWCX-SXWSKBOKSA-N 0 0 402.884 4.484 50 30 HIEARN C=CCNC(=S)N/N=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000004512177 560897139 /nfs/dbraw/zinc/89/71/39/560897139.db2.gz VWEAQDVZQIVJCT-CIAFOILYSA-N 0 0 404.333 4.012 50 30 HIEARN Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(O)cc2)cc1 ZINC000044858672 560897545 /nfs/dbraw/zinc/89/75/45/560897545.db2.gz FLKPLNDSBKZJOB-JOCHJYFZSA-N 0 0 414.465 4.171 50 30 HIEARN CC(=O)Nc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)cc2C)c1 ZINC000046125684 568428508 /nfs/dbraw/zinc/42/85/08/568428508.db2.gz CUCWQANRGCUURW-UHFFFAOYSA-N 0 0 415.497 4.055 50 30 HIEARN O=C(N=C(NCc1ccccn1)Nc1ccc(F)c(Cl)c1)c1cccc(F)c1 ZINC000046126308 568428600 /nfs/dbraw/zinc/42/86/00/568428600.db2.gz GLSGBYUHASNFEN-UHFFFAOYSA-N 0 0 400.816 4.411 50 30 HIEARN COc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)cc(C)c2)cc1OC ZINC000046126228 568428625 /nfs/dbraw/zinc/42/86/25/568428625.db2.gz VUVWGQDVZNVHIS-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)cc1)NCc1cccnc1 ZINC000046127422 568428791 /nfs/dbraw/zinc/42/87/91/568428791.db2.gz SJKZXJWRRYZARM-UHFFFAOYSA-N 0 0 412.852 4.281 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cc(Cl)ccc2C)c1 ZINC000046127173 568428834 /nfs/dbraw/zinc/42/88/34/568428834.db2.gz HOYIQQFOQUDGFV-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2cccnc2)cc1OC ZINC000046128358 568429015 /nfs/dbraw/zinc/42/90/15/568429015.db2.gz DAOCCYWFBRTKEP-UHFFFAOYSA-N 0 0 418.497 4.114 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)cc2Cl)c1 ZINC000046128219 568429071 /nfs/dbraw/zinc/42/90/71/568429071.db2.gz DCMMCTTWPDUPLZ-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CCc1ccc(NC(=NC(=O)c2cccc(NC(C)=O)c2)NCc2cccnc2)cc1 ZINC000046128804 568429085 /nfs/dbraw/zinc/42/90/85/568429085.db2.gz CABNYWUTLCTBMX-UHFFFAOYSA-N 0 0 415.497 4.001 50 30 HIEARN CCc1ccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2cccnc2)cc1 ZINC000046128800 568429113 /nfs/dbraw/zinc/42/91/13/568429113.db2.gz MURGRGIAHWTDFF-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C(F)(F)F)c2)c1 ZINC000046133089 568430302 /nfs/dbraw/zinc/43/03/02/568430302.db2.gz GTIIPXMCPFYQLZ-SFHVURJKSA-N 0 0 421.419 4.091 50 30 HIEARN N#Cc1ccc(CSCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000048020958 568431749 /nfs/dbraw/zinc/43/17/49/568431749.db2.gz LELJAQOVMIFENL-FQEVSTJZSA-N 0 0 408.523 4.316 50 30 HIEARN CCOCCc1nnc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)s1 ZINC000006781057 568459207 /nfs/dbraw/zinc/45/92/07/568459207.db2.gz DKGCKYPPPCVXQR-UHFFFAOYSA-N 0 0 412.515 4.304 50 30 HIEARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2O)cc1COc1ccc(C#N)cc1 ZINC000000653919 568459826 /nfs/dbraw/zinc/45/98/26/568459826.db2.gz LJSQGUKVETYLAX-JOCHJYFZSA-N 0 0 401.422 4.102 50 30 HIEARN C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000000673312 568461198 /nfs/dbraw/zinc/46/11/98/568461198.db2.gz PSVLPIDVBTUZCB-UHFFFAOYSA-N 0 0 407.543 4.424 50 30 HIEARN N#Cc1c(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)sc2c1CCC2 ZINC000000708298 568463950 /nfs/dbraw/zinc/46/39/50/568463950.db2.gz ZVEZXTRNKOTBCA-UHFFFAOYSA-N 0 0 408.504 4.194 50 30 HIEARN CC(=O)[C@@H](C)Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N ZINC000000804096 568486479 /nfs/dbraw/zinc/48/64/79/568486479.db2.gz RHVMVAHUYLRGRX-LLVKDONJSA-N 0 0 408.401 4.480 50 30 HIEARN C=CCn1c(SCC(=O)NC)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000005776445 568505430 /nfs/dbraw/zinc/50/54/30/568505430.db2.gz ZKPMEKVQYQPSGQ-CQSZACIVSA-N 0 0 404.605 4.182 50 30 HIEARN C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OC ZINC000002850209 568509708 /nfs/dbraw/zinc/50/97/08/568509708.db2.gz XAUIPEDWKPULTR-YBEGLDIGSA-N 0 0 414.801 4.166 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccccc1O ZINC000002853216 568510054 /nfs/dbraw/zinc/51/00/54/568510054.db2.gz UBWPXEYINHJTAI-UHFFFAOYSA-N 0 0 412.540 4.289 50 30 HIEARN COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1c[nH]c4ccccc14)N(C)CC3)OCO2 ZINC000020113902 568589254 /nfs/dbraw/zinc/58/92/54/568589254.db2.gz SFCDKHFGEPUQLE-DUIUGDAFSA-N 0 0 404.466 4.107 50 30 HIEARN Cc1cccc(CN2c3ccccc3C(=O)C(=CNCc3ccccc3)S2(=O)=O)c1 ZINC000020132866 568589960 /nfs/dbraw/zinc/58/99/60/568589960.db2.gz KTYCUJZAPMIFTD-XQNSMLJCSA-N 0 0 418.518 4.159 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)N(C(C)=O)c1ccccc1-2 ZINC000002978307 568595907 /nfs/dbraw/zinc/59/59/07/568595907.db2.gz SUXCUAGMBPKGIH-FQEVSTJZSA-N 0 0 408.458 4.400 50 30 HIEARN COc1ccccc1-c1noc(C2CCN(c3oc(C(C)(C)C)nc3C#N)CC2)n1 ZINC000080344623 568602916 /nfs/dbraw/zinc/60/29/16/568602916.db2.gz JZKJMAKWVMQATD-UHFFFAOYSA-N 0 0 407.474 4.286 50 30 HIEARN N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1cccc(O)c1 ZINC000020840568 568644511 /nfs/dbraw/zinc/64/45/11/568644511.db2.gz JDZNGMLJFZXPIK-UHFFFAOYSA-N 0 0 420.881 4.408 50 30 HIEARN Cn1c(CCc2ccccc2NS(=O)(=O)c2cccc(C#N)c2)nc2ccccc21 ZINC000021357200 568688325 /nfs/dbraw/zinc/68/83/25/568688325.db2.gz PLJRRWIGILGVHV-UHFFFAOYSA-N 0 0 416.506 4.031 50 30 HIEARN N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000012418804 568719210 /nfs/dbraw/zinc/71/92/10/568719210.db2.gz ZWKUAUBQMPKWQY-VOTSOKGWSA-N 0 0 424.913 4.394 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000000870254 568726515 /nfs/dbraw/zinc/72/65/15/568726515.db2.gz KSIOYGAFZBWCEH-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000025072953 568748420 /nfs/dbraw/zinc/74/84/20/568748420.db2.gz CSVGRSQMIOSNER-UHFFFAOYSA-N 0 0 414.465 4.381 50 30 HIEARN O=C(NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc(F)cc2)N1)c1ccco1 ZINC000096791634 568764514 /nfs/dbraw/zinc/76/45/14/568764514.db2.gz HHKUSRQIZSSKJJ-SFHVURJKSA-N 0 0 401.401 4.052 50 30 HIEARN CCc1c(C)sc(NC(=O)[C@@H]2CC(c3cccc(Br)c3)=NO2)c1C#N ZINC000001126322 568770308 /nfs/dbraw/zinc/77/03/08/568770308.db2.gz WOQJITVNEOGPRZ-INIZCTEOSA-N 0 0 418.316 4.385 50 30 HIEARN COc1ccc(-c2c3c(nc(SCC(=O)Nc4nccs4)c2C#N)CCC3)cc1 ZINC000001110922 568770552 /nfs/dbraw/zinc/77/05/52/568770552.db2.gz SCYMGCQAGGEBMT-UHFFFAOYSA-N 0 0 422.535 4.305 50 30 HIEARN C=CCOc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000002487004 568775227 /nfs/dbraw/zinc/77/52/27/568775227.db2.gz VHESZMBFMHWHBA-FQEVSTJZSA-N 0 0 414.527 4.101 50 30 HIEARN COc1cc(NC(=O)c2ccc(C#N)cc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000002635834 568792071 /nfs/dbraw/zinc/79/20/71/568792071.db2.gz JMQJLOSNDUJZCH-UHFFFAOYSA-N 0 0 401.422 4.080 50 30 HIEARN COC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2C)c(C#N)c1C ZINC000002738562 568804696 /nfs/dbraw/zinc/80/46/96/568804696.db2.gz PIYXVIXPBVJYRU-UHFFFAOYSA-N 0 0 406.891 4.474 50 30 HIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3cccc(Cl)c3)o2)cnn1C ZINC000002798141 568810486 /nfs/dbraw/zinc/81/04/86/568810486.db2.gz MTAZYDJOCJXBOX-FOKLQQMPSA-N 0 0 400.866 4.136 50 30 HIEARN 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HIEARN CCSC1(SCC)NC(=N)[C@]2(C#N)[C@H](c3ccccc3)NC(C)=C(C)[C@@]12C#N ZINC000006576945 569066821 /nfs/dbraw/zinc/06/68/21/569066821.db2.gz LAPWMKGSGLMNJI-YSIASYRMSA-N 0 0 411.600 4.176 50 30 aggregator HIEARN N#Cc1ccccc1CSCCNC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000006586306 569067712 /nfs/dbraw/zinc/06/77/12/569067712.db2.gz JXPSIPVCNFMHDN-UHFFFAOYSA-N 0 0 416.959 4.230 50 30 HIEARN Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000006627333 569076072 /nfs/dbraw/zinc/07/60/72/569076072.db2.gz AITMXAFYKYKFHY-QLYXXIJNSA-N 0 0 418.497 4.372 50 30 HIEARN COc1cccc(CN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 ZINC000006647374 569079418 /nfs/dbraw/zinc/07/94/18/569079418.db2.gz LJKGFJQFKILKOH-UHFFFAOYSA-N 0 0 411.914 4.184 50 30 HIEARN N#C[C@@H](c1nc2ccccc2s1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl ZINC000006662730 569085844 /nfs/dbraw/zinc/08/58/44/569085844.db2.gz ZNAMNHGEHUMSTG-CQSZACIVSA-N 0 0 410.861 4.349 50 30 HIEARN CCN1c2ccc(CNC(=O)c3ccc(C#N)cc3)cc2Sc2ncccc2C1=O ZINC000064759588 569091027 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C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc2cc(Cl)ccc2c1=O ZINC000006901217 569177801 /nfs/dbraw/zinc/17/78/01/569177801.db2.gz MMURDXBMNQFPOY-JJRVBVJISA-N 0 0 419.978 4.269 50 30 HIEARN C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2cc(Cl)ccc2c1=O ZINC000006903106 569178076 /nfs/dbraw/zinc/17/80/76/569178076.db2.gz YGXVGCTVBIBSLU-UHFFFAOYSA-N 0 0 401.919 4.166 50 30 HIEARN Cc1occc1-c1nnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)n1C ZINC000006912101 569179048 /nfs/dbraw/zinc/17/90/48/569179048.db2.gz VYYNLCOCOZLFOG-XDHOZWIPSA-N 0 0 408.527 4.356 50 30 HIEARN N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4F)n3)C2)cc1 ZINC000065148529 569184375 /nfs/dbraw/zinc/18/43/75/569184375.db2.gz KRVHPZMACUPVID-GOSISDBHSA-N 0 0 401.445 4.251 50 30 HIEARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000007007824 569200780 /nfs/dbraw/zinc/20/07/80/569200780.db2.gz BZXIFVXFYJHNMH-QFIPXVFZSA-N 0 0 400.434 4.412 50 30 HIEARN CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N[C@H](C)c3ccccc3)o2)cc1 ZINC000036627652 569212162 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N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000328596151 569416002 /nfs/dbraw/zinc/41/60/02/569416002.db2.gz VEFNCZOZIYIJTF-GOSISDBHSA-N 0 0 423.494 4.119 50 30 HIEARN COc1ccccc1N1CCN(c2nc(SC)nc(-c3ccccc3)c2C#N)CC1 ZINC000019820458 569430737 /nfs/dbraw/zinc/43/07/37/569430737.db2.gz PYKIARVCEGASAF-UHFFFAOYSA-N 0 0 417.538 4.072 50 30 HIEARN CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(c3cccc(C)c3)CC2)n1 ZINC000019820824 569430774 /nfs/dbraw/zinc/43/07/74/569430774.db2.gz BXJDVJNOVXMYKY-UHFFFAOYSA-N 0 0 401.539 4.372 50 30 HIEARN C=CCc1ccccc1OCCSc1nc(-c2ccccc2F)nc2cc(=O)[nH]n21 ZINC000008603088 571090862 /nfs/dbraw/zinc/09/08/62/571090862.db2.gz JJLQUEPPNVDIOX-UHFFFAOYSA-N 0 0 422.485 4.123 50 30 aggregator HIEARN C=CCN1c2cc(NC(=O)c3ccc(Br)o3)ccc2OCC(C)(C)C1=O ZINC000008959585 571183113 /nfs/dbraw/zinc/18/31/13/571183113.db2.gz RJPOTJFNOWLRPV-UHFFFAOYSA-N 0 0 419.275 4.232 50 30 HIEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2nnc(-c3ccccc3)o2)cc1 ZINC000040139018 571188894 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CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001128425 557196657 /nfs/dbraw/zinc/19/66/57/557196657.db2.gz AULLNRQKRVBVQD-OAQYLSRUSA-N 0 0 423.513 4.211 50 30 HIEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000001131994 557198759 /nfs/dbraw/zinc/19/87/59/557198759.db2.gz ZRBOIOAOICNTPE-OAQYLSRUSA-N 0 0 403.438 4.201 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002055222 557302136 /nfs/dbraw/zinc/30/21/36/557302136.db2.gz CQBFXLHUNCZIFJ-OAQYLSRUSA-N 0 0 413.514 4.261 50 30 HIEARN COc1ccc(/C=N/OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000002072126 557307530 /nfs/dbraw/zinc/30/75/30/557307530.db2.gz WHOVPACGZPRVHF-NUGSKGIGSA-N 0 0 416.783 4.365 50 30 HIEARN C[C@H](CC(=O)O/N=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002150555 557319668 /nfs/dbraw/zinc/31/96/68/557319668.db2.gz HUXWYNSKHOJRAC-ZICWZVMQSA-N 0 0 400.283 4.123 50 30 HIEARN 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C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000004492817 558610035 /nfs/dbraw/zinc/61/00/35/558610035.db2.gz XFFKRMKTVDGHOJ-KRWDZBQOSA-N 0 0 422.554 4.178 50 30 HIEARN CCCC(=O)C1=C(c2ccc(OCC)cc2)N(C(=O)CCC)n2c(C)nnc2S1 ZINC000004518297 558642231 /nfs/dbraw/zinc/64/22/31/558642231.db2.gz ROJPKBPQZHSMBM-UHFFFAOYSA-N 0 0 414.531 4.094 50 30 HIEARN O=C(Nc1nnc(SCc2ccccc2F)s1)c1cc(=O)[nH]c2ccccc21 ZINC000014695545 558663971 /nfs/dbraw/zinc/66/39/71/558663971.db2.gz GVGYDIVAJIPVRA-UHFFFAOYSA-N 0 0 412.471 4.447 50 30 HIEARN O=[N+]([O-])c1cc2c(cc1C=NN=c1[nH]c3ccccc3n1Cc1ccccc1)OCO2 ZINC000004551797 558702234 /nfs/dbraw/zinc/70/22/34/558702234.db2.gz DGWBLPXBEZYOSM-FSJBWODESA-N 0 0 415.409 4.168 50 30 HIEARN O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21 ZINC000004556230 558725325 /nfs/dbraw/zinc/72/53/25/558725325.db2.gz AXWSLGASPULHCK-AAJFVQQISA-N 0 0 401.437 4.233 50 30 HIEARN C=CCc1cc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000072295981 558748744 /nfs/dbraw/zinc/74/87/44/558748744.db2.gz PHAGNOJQWJZIJO-NRFANRHFSA-N 0 0 414.483 4.228 50 30 HIEARN N#Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)ccc1N1CCC(O)CC1 ZINC000072304341 558757073 /nfs/dbraw/zinc/75/70/73/558757073.db2.gz KWNMPFVMXKKKLR-UHFFFAOYSA-N 0 0 415.946 4.045 50 30 HIEARN COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(Br)cc1O ZINC000015931972 558762712 /nfs/dbraw/zinc/76/27/12/558762712.db2.gz KIFYWDGYMCFIJE-OVCLIPMQSA-N 0 0 405.273 4.055 50 30 HIEARN COc1ccc(OC)c(/C=C2\S/C(=N/c3ccccc3Br)NC2=O)c1 ZINC000016692821 558800496 /nfs/dbraw/zinc/80/04/96/558800496.db2.gz KPOLMFAWXGSHTO-YBEGLDIGSA-N 0 0 419.300 4.358 50 30 HIEARN CN(C)c1ccc(/C=N/N=C2\NC(=O)C(Cc3cc(Cl)ccc3Cl)S2)cc1 ZINC000016713106 558801900 /nfs/dbraw/zinc/80/19/00/558801900.db2.gz VZXDTSOMVXRVOU-ZTBJCTOSSA-N 0 0 421.353 4.224 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(O)cc2)cc1F ZINC000016732947 558802435 /nfs/dbraw/zinc/80/24/35/558802435.db2.gz JIKLXRPYHODEAT-NRFANRHFSA-N 0 0 418.424 4.013 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2F)cc1F ZINC000016805573 558807410 /nfs/dbraw/zinc/80/74/10/558807410.db2.gz SCLUCAMGUVPXRP-OAQYLSRUSA-N 0 0 420.415 4.447 50 30 HIEARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997493 558808481 /nfs/dbraw/zinc/80/84/81/558808481.db2.gz LIEIOSOQQOJOHT-NRFANRHFSA-N 0 0 417.494 4.275 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016975035 558811012 /nfs/dbraw/zinc/81/10/12/558811012.db2.gz RFWDKHYWTWARBD-FQEVSTJZSA-N 0 0 415.405 4.081 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016975027 558811020 /nfs/dbraw/zinc/81/10/20/558811020.db2.gz RFWDKHYWTWARBD-HXUWFJFHSA-N 0 0 415.405 4.081 50 30 HIEARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(C#N)cc1 ZINC000032999175 558819862 /nfs/dbraw/zinc/81/98/62/558819862.db2.gz DONZPHMQCIHBLZ-UHFFFAOYSA-N 0 0 410.437 4.232 50 30 HIEARN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ccc2C#N)cc1 ZINC000033011087 558830380 /nfs/dbraw/zinc/83/03/80/558830380.db2.gz ZOEJSWJKVUOWDB-UHFFFAOYSA-N 0 0 417.490 4.446 50 30 HIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)cc1 ZINC000033011212 558830558 /nfs/dbraw/zinc/83/05/58/558830558.db2.gz GUVICTGFFCURIJ-UHFFFAOYSA-N 0 0 403.507 4.080 50 30 HIEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(Cl)cc3)S2)c1 ZINC000018099290 558831154 /nfs/dbraw/zinc/83/11/54/558831154.db2.gz BHZVWXQMJFMEJZ-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccc(Cl)cc2Cl)S1 ZINC000018208994 558833590 /nfs/dbraw/zinc/83/35/90/558833590.db2.gz KRSSYKLCVBBKEU-PPAWOMOGSA-N 0 0 408.310 4.166 50 30 HIEARN CSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000018222389 558834012 /nfs/dbraw/zinc/83/40/12/558834012.db2.gz SAGOWZACXWLYDQ-HNNXBMFYSA-N 0 0 419.894 4.220 50 30 HIEARN CCCCCn1c(SCC#N)nc2cc(C(=O)NCc3ccccc3)ccc2c1=O ZINC000004602912 558846147 /nfs/dbraw/zinc/84/61/47/558846147.db2.gz WXPCRUKUJWUWNI-UHFFFAOYSA-N 0 0 420.538 4.132 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000013653582 558850790 /nfs/dbraw/zinc/85/07/90/558850790.db2.gz YYGORXICUBVULP-RANIVTSPSA-N 0 0 407.466 4.027 50 30 HIEARN CCCN1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000019300458 558866219 /nfs/dbraw/zinc/86/62/19/558866219.db2.gz BYMKRWHYWQDRHG-XOBNHNQQSA-N 0 0 407.426 4.265 50 30 HIEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1Cl ZINC000004680899 558894260 /nfs/dbraw/zinc/89/42/60/558894260.db2.gz DORWPSXQVJJCFH-JJXNMMKVSA-N 0 0 405.882 4.378 50 30 HIEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(O)c(OC)c2)C1=O ZINC000004688343 558898802 /nfs/dbraw/zinc/89/88/02/558898802.db2.gz MOGPFFQDIKEEOD-PDGQHHTCSA-N 0 0 411.479 4.253 50 30 HIEARN CC(=O)Oc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019536016 558913773 /nfs/dbraw/zinc/91/37/73/558913773.db2.gz NPEWSQPFRJQIEC-NRFANRHFSA-N 0 0 411.498 4.168 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S ZINC000004711437 558916833 /nfs/dbraw/zinc/91/68/33/558916833.db2.gz VWNWRJDAKSUPLU-KGENOOAVSA-N 0 0 415.518 4.060 50 30 HIEARN CN1C(=CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)N[C@H]2C=CC=C[C@@H]21 ZINC000019595398 558946107 /nfs/dbraw/zinc/94/61/07/558946107.db2.gz VAFWWWKBPITWEN-AZDINULQSA-N 0 0 406.493 4.415 50 30 HIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000019624796 558947024 /nfs/dbraw/zinc/94/70/24/558947024.db2.gz HCSHYXMJDOYAPH-CVDCTZTESA-N 0 0 402.494 4.396 50 30 HIEARN COCOc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c(OCOC)c1 ZINC000004772657 559058152 /nfs/dbraw/zinc/05/81/52/559058152.db2.gz ZVPNYKCXNYSXME-ZZXKWVIFSA-N 0 0 420.845 4.068 50 30 HIEARN Cc1c(C#N)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc1C(N)=O ZINC000004777390 559060987 /nfs/dbraw/zinc/06/09/87/559060987.db2.gz PKDLLILFIXMDCJ-UHFFFAOYSA-N 0 0 412.298 4.132 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N(O)C(=O)NC1CCCCC1 ZINC000004794985 559066285 /nfs/dbraw/zinc/06/62/85/559066285.db2.gz DQKYBXLLMNAMGT-XWAFYUISSA-N 0 0 412.606 4.254 50 30 HIEARN C=CCOc1ccc(C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1OC ZINC000011535201 559088377 /nfs/dbraw/zinc/08/83/77/559088377.db2.gz CRUWFNSNEMZQJU-UHFFFAOYSA-N 0 0 406.438 4.035 50 30 HIEARN CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 ZINC000097950732 559124820 /nfs/dbraw/zinc/12/48/20/559124820.db2.gz WCUNBJVCDMQLFQ-UHFFFAOYSA-N 0 0 414.575 4.119 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1ccc(C)cc1 ZINC000014082393 559149673 /nfs/dbraw/zinc/14/96/73/559149673.db2.gz FDGXQPXNYOHYFA-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN O=c1[nH]c2ccc(/N=C3/c4ccccc4N(Cc4ccccc4Cl)C3=O)cc2[nH]1 ZINC000102652925 559151674 /nfs/dbraw/zinc/15/16/74/559151674.db2.gz HIKBAQGIUPOXFU-GFMRDNFCSA-N 0 0 402.841 4.177 50 30 HIEARN O=C(Oc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)c1ccc(F)cc1 ZINC000102732851 559152373 /nfs/dbraw/zinc/15/23/73/559152373.db2.gz LOPMPGDCYUGKOB-UFFVCSGVSA-N 0 0 404.349 4.390 50 30 HIEARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CSc2ccc3c(c2)CCC3)c1C#N ZINC000014202187 559156274 /nfs/dbraw/zinc/15/62/74/559156274.db2.gz JVDNHZCIVGPWLO-LJQANCHMSA-N 0 0 409.555 4.375 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000014241302 559161444 /nfs/dbraw/zinc/16/14/44/559161444.db2.gz XGUTZSGCBSPSLA-UHFFFAOYSA-N 0 0 405.885 4.430 50 30 HIEARN Cc1ccc(O)c(/N=C/c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c1 ZINC000003113309 559189586 /nfs/dbraw/zinc/18/95/86/559189586.db2.gz QOWNCAIDUNSOJO-WSDLNYQXSA-N 0 0 421.365 4.487 50 30 HIEARN CCc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccccc3C#N)c2=O)cc1 ZINC000004882521 559197386 /nfs/dbraw/zinc/19/73/86/559197386.db2.gz AQRJMQUMRMANNZ-UHFFFAOYSA-N 0 0 415.518 4.313 50 30 HIEARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccco1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004979927 559222809 /nfs/dbraw/zinc/22/28/09/559222809.db2.gz HATNFDWZFJCVLB-HXUWFJFHSA-N 0 0 403.486 4.381 50 30 HIEARN N#Cc1cc(Cl)ccc1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000033635241 559223938 /nfs/dbraw/zinc/22/39/38/559223938.db2.gz HTPRLSJFRQWOGZ-UHFFFAOYSA-N 0 0 418.906 4.030 50 30 HIEARN CCOC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@H]21 ZINC000005091611 559243923 /nfs/dbraw/zinc/24/39/23/559243923.db2.gz HGRBKXLQZQPZDV-HULNYRCFSA-N 0 0 418.493 4.336 50 30 HIEARN C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)nc1C ZINC000011915133 559267792 /nfs/dbraw/zinc/26/77/92/559267792.db2.gz OESZSARGWBKHBM-UHFFFAOYSA-N 0 0 413.455 4.100 50 30 HIEARN Cc1cccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@H](C)C2)c1 ZINC000005164682 559276958 /nfs/dbraw/zinc/27/69/58/559276958.db2.gz LRHMPSQMHKOTHB-UWJYYQICSA-N 0 0 420.538 4.213 50 30 HIEARN C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2cc(Cl)ccc2oc1=O ZINC000005171929 559287700 /nfs/dbraw/zinc/28/77/00/559287700.db2.gz WSGIBDZCVDPAJI-DJKKODMXSA-N 0 0 402.750 4.099 50 30 HIEARN COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1O ZINC000017835374 560094373 /nfs/dbraw/zinc/09/43/73/560094373.db2.gz CPHZVLHSTZSKKX-JOCHJYFZSA-N 0 0 415.445 4.492 50 30 biogenic,in-vitro HIEARN O=[N+]([O-])c1ccc(-c2cs/c(=N/N=C/c3cccnc3)n2-c2ccccc2)cc1 ZINC000005242402 560549531 /nfs/dbraw/zinc/54/95/31/560549531.db2.gz RQTQMGAVQWWMFJ-LGLHSBMDSA-N 0 0 401.451 4.444 50 30 HIEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)c3ccco3)ccc2C1=O ZINC000002105430 560558988 /nfs/dbraw/zinc/55/89/88/560558988.db2.gz CLZXYCNPSZDVMM-FBHDLOMBSA-N 0 0 422.389 4.141 50 30 biogenic HIEARN CC(=O)C1=C(C)Oc2ncn3nc(COc4ccccc4)nc3c2[C@@H]1c1ccccc1 ZINC000005345053 560569663 /nfs/dbraw/zinc/56/96/63/560569663.db2.gz HDFZQHSDNCUSAU-OAQYLSRUSA-N 0 0 412.449 4.091 50 30 HIEARN Cc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 ZINC000005350174 560571315 /nfs/dbraw/zinc/57/13/15/560571315.db2.gz PVEVHBSYHMRRKT-NUGSKGIGSA-N 0 0 407.499 4.049 50 30 HIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OC)cc2OC)C1=O ZINC000005444356 560587997 /nfs/dbraw/zinc/58/79/97/560587997.db2.gz JXVIRBFRUFJKSO-LDADJPATSA-N 0 0 411.479 4.247 50 30 HIEARN Cc1ccc(NN=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C ZINC000005518323 560602791 /nfs/dbraw/zinc/60/27/91/560602791.db2.gz FZRHBUIMAGELGF-UHFFFAOYSA-N 0 0 412.449 4.271 50 30 HIEARN Cc1cccc(-c2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n[nH]2)c1 ZINC000005520039 560603228 /nfs/dbraw/zinc/60/32/28/560603228.db2.gz ZNYWJLJCXRHWJR-UHFFFAOYSA-N 0 0 409.540 4.323 50 30 HIEARN O=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000005569376 560616598 /nfs/dbraw/zinc/61/65/98/560616598.db2.gz WAHDXJLQTFJSPD-MNDPQUGUSA-N 0 0 409.692 4.379 50 30 HIEARN COc1cc2c(cc1/C=C1\S/C(=N\c3cccc(Cl)c3C)NC1=O)OCO2 ZINC000005576986 560627669 /nfs/dbraw/zinc/62/76/69/560627669.db2.gz BWZCYWCUHACFFW-IDUWFGFVSA-N 0 0 402.859 4.277 50 30 HIEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000005619044 560630652 /nfs/dbraw/zinc/63/06/52/560630652.db2.gz SLPVLNYKBXTEGI-CYBMUJFWSA-N 0 0 412.471 4.258 50 30 HIEARN CC1(C)C[C@@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2CC(=O)c1ccccc1 ZINC000005625267 560633707 /nfs/dbraw/zinc/63/37/07/560633707.db2.gz COMZENIJCRIGCJ-QHCPKHFHSA-N 0 0 407.539 4.117 50 30 HIEARN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000017245918 560705411 /nfs/dbraw/zinc/70/54/11/560705411.db2.gz CGAQMPSMRPVFTK-BKUYFWCQSA-N 0 0 407.466 4.027 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(CC)cc1 ZINC000100974193 560765264 /nfs/dbraw/zinc/76/52/64/560765264.db2.gz YMRPGHAEIFMDGJ-LRXSNBMBSA-N 0 0 412.536 4.096 50 30 HIEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)ccc1O ZINC000018126753 560779214 /nfs/dbraw/zinc/77/92/14/560779214.db2.gz VMUHQUVORUTNKF-LJQANCHMSA-N 0 0 415.873 4.289 50 30 HIEARN CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1 ZINC000018169720 560780817 /nfs/dbraw/zinc/78/08/17/560780817.db2.gz UJRUAKRIYLZNPE-GOTYSUTNSA-N 0 0 415.490 4.205 50 30 HIEARN O=C1C[C@H](c2cccs2)CC2=Nc3nnnn3[C@@H](c3c(Cl)cccc3Cl)C12 ZINC000018196286 560782496 /nfs/dbraw/zinc/78/24/96/560782496.db2.gz AOQIILXAEICVTE-XLFHBGCDSA-N 0 0 418.309 4.457 50 30 HIEARN COc1cccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC ZINC000018196515 560782701 /nfs/dbraw/zinc/78/27/01/560782701.db2.gz CVRQVBQFFDGSPV-GTNSWQLSSA-N 0 0 423.494 4.152 50 30 HIEARN CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)C1=C(CC(C)(C)CC1=O)O2 ZINC000101106952 560786148 /nfs/dbraw/zinc/78/61/48/560786148.db2.gz SZNHFCZGEJFZIL-LJQANCHMSA-N 0 0 407.514 4.339 50 30 HIEARN CCOC(=O)c1sc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)c(C#N)c1C ZINC000101114467 560786892 /nfs/dbraw/zinc/78/68/92/560786892.db2.gz IGOTXEVYQJHYML-GZTJUZNOSA-N 0 0 422.510 4.440 50 30 HIEARN N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n(-c2ccccc2)c1NC(=O)c1ccccc1 ZINC000101270878 560797142 /nfs/dbraw/zinc/79/71/42/560797142.db2.gz QJZCMCYWXCQIAS-UHFFFAOYSA-N 0 0 410.389 4.023 50 30 HIEARN CCOCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccccc1 ZINC000101695107 560798229 /nfs/dbraw/zinc/79/82/29/560798229.db2.gz KFCBDPLKEBAHOW-PKEPYMRNSA-N 0 0 412.511 4.344 50 30 HIEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102530939 560813383 /nfs/dbraw/zinc/81/33/83/560813383.db2.gz MZOXUEMUOCZKCJ-JBCNATCCSA-N 0 0 418.449 4.085 50 30 HIEARN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102517523 560815483 /nfs/dbraw/zinc/81/54/83/560815483.db2.gz QKINOYXVMQXBHZ-MOBKVPTQSA-N 0 0 414.461 4.102 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000102514955 560815493 /nfs/dbraw/zinc/81/54/93/560815493.db2.gz DAGRGPBEWAERFV-ILCKISKLSA-N 0 0 403.887 4.002 50 30 HIEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000102645767 560819802 /nfs/dbraw/zinc/81/98/02/560819802.db2.gz DAGRGPBEWAERFV-DLBSFMOSSA-N 0 0 403.887 4.002 50 30 HIEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2)cc1 ZINC000102713639 560823108 /nfs/dbraw/zinc/82/31/08/560823108.db2.gz RKCJGWAHAUYWTL-JBCNATCCSA-N 0 0 418.449 4.398 50 30 HIEARN CCCCC[C@@H](C)N1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N ZINC000013691212 560826927 /nfs/dbraw/zinc/82/69/27/560826927.db2.gz HBCIIQANTYQSNS-CQSZACIVSA-N 0 0 415.559 4.308 50 30 HIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 ZINC000102799143 560828188 /nfs/dbraw/zinc/82/81/88/560828188.db2.gz HCJFWSSUSURGJI-MRJHHRETSA-N 0 0 403.409 4.461 50 30 HIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102875909 560830653 /nfs/dbraw/zinc/83/06/53/560830653.db2.gz FTGFLBUJVUXGOK-NHFXJNLRSA-N 0 0 420.852 4.370 50 30 HIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102861678 560832105 /nfs/dbraw/zinc/83/21/05/560832105.db2.gz KOKMHMIJVHRCSI-JBCNATCCSA-N 0 0 407.510 4.442 50 30 HIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102864574 560832388 /nfs/dbraw/zinc/83/23/88/560832388.db2.gz VNVFMOPVUUZEED-SELCWUDQSA-N 0 0 414.845 4.470 50 30 HIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCOC)cc1 ZINC000102880734 560833770 /nfs/dbraw/zinc/83/37/70/560833770.db2.gz PCOMPDGYHQYFRK-MOBKVPTQSA-N 0 0 423.509 4.024 50 30 HIEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104146411 560848911 /nfs/dbraw/zinc/84/89/11/560848911.db2.gz WFYCZGRAEONMMF-MRJHHRETSA-N 0 0 403.409 4.461 50 30 HIEARN COc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2)c1 ZINC000044858872 560897524 /nfs/dbraw/zinc/89/75/24/560897524.db2.gz ZZJBMTQPPXRKSW-JOCHJYFZSA-N 0 0 414.465 4.166 50 30 HIEARN CCc1ccc(NC(=NC(=O)c2ccc(OC)c(OC)c2)NCc2ccccn2)cc1 ZINC000046126973 568428802 /nfs/dbraw/zinc/42/88/02/568428802.db2.gz KULCHKRLWFHASN-UHFFFAOYSA-N 0 0 418.497 4.059 50 30 HIEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cc(C)cc(C)c2)cc1 ZINC000046128067 568428934 /nfs/dbraw/zinc/42/89/34/568428934.db2.gz IACINDDDSZFNNT-UHFFFAOYSA-N 0 0 402.498 4.495 50 30 HIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)c(Cl)c2)cc1C ZINC000046131705 568429558 /nfs/dbraw/zinc/42/95/58/568429558.db2.gz LDSNKJDOIOUIDL-KRWDZBQOSA-N 0 0 403.885 4.473 50 30 HIEARN O=C(N=C(NC[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000046133068 568430283 /nfs/dbraw/zinc/43/02/83/568430283.db2.gz KEHIRKXUYZTDMH-QGZVFWFLSA-N 0 0 409.383 4.221 50 30 HIEARN COc1cc(CN=Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1F ZINC000005163145 568441877 /nfs/dbraw/zinc/44/18/77/568441877.db2.gz UURIJICHJNUPGA-YDZHTSKRSA-N 0 0 409.373 4.408 50 30 HIEARN CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N(O)C(=O)Nc1ccccc1 ZINC000012320977 568470606 /nfs/dbraw/zinc/47/06/06/568470606.db2.gz NRUCIBZFPFTGGX-BGARDKSCSA-N 0 0 406.558 4.444 50 30 HIEARN CC1(C)Cc2c(C#N)c(OCC(=O)Nc3ccccc3)nc(-c3ccco3)c2CO1 ZINC000012323177 568471280 /nfs/dbraw/zinc/47/12/80/568471280.db2.gz MCBDHVWUJORZTF-UHFFFAOYSA-N 0 0 403.438 4.082 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccc(F)c(F)c1)CC(=O)O3 ZINC000218532606 568481487 /nfs/dbraw/zinc/48/14/87/568481487.db2.gz VMYBNVDLJXMKKB-XXZGICNZSA-N 0 0 405.356 4.417 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccc(F)c(F)c1)CC(=O)O3 ZINC000218532531 568481504 /nfs/dbraw/zinc/48/15/04/568481504.db2.gz VMYBNVDLJXMKKB-CPIUSTHESA-N 0 0 405.356 4.417 50 30 HIEARN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000024915149 568483903 /nfs/dbraw/zinc/48/39/03/568483903.db2.gz KVBNPABQEMBQFI-CQSZACIVSA-N 0 0 405.527 4.068 50 30 HIEARN C=CCn1c(SCCOc2ccccc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000002868424 568511854 /nfs/dbraw/zinc/51/18/54/568511854.db2.gz ZBOOGHZGEIJRFM-KRWDZBQOSA-N 0 0 408.527 4.126 50 30 HIEARN N#CCOc1cccc(CC(=O)Nc2ccc(Sc3nncs3)c(Cl)c2)c1 ZINC000095444839 568611608 /nfs/dbraw/zinc/61/16/08/568611608.db2.gz FXQGDMPXWXECAV-UHFFFAOYSA-N 0 0 416.915 4.426 50 30 HIEARN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000095453432 568615893 /nfs/dbraw/zinc/61/58/93/568615893.db2.gz SLYOLYQNIPGSOT-LJQANCHMSA-N 0 0 402.336 4.048 50 30 HIEARN CSc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000095483061 568634995 /nfs/dbraw/zinc/63/49/95/568634995.db2.gz FILWHYVYYNFMSI-IBGZPJMESA-N 0 0 403.507 4.452 50 30 HIEARN N#Cc1c2c(c(N3CCCCC3)nc1N1CCCCC1)CN(Cc1ccccc1)CC2 ZINC000020790351 568643781 /nfs/dbraw/zinc/64/37/81/568643781.db2.gz NFWFNKQJHIUIBD-UHFFFAOYSA-N 0 0 415.585 4.492 50 30 HIEARN CCCCCCCn1c(=O)c2c(nc3n2CCCN3c2cc(C)cc(C)c2)n(C)c1=O ZINC000096019531 568685640 /nfs/dbraw/zinc/68/56/40/568685640.db2.gz JBJKWCWJQYYAPL-UHFFFAOYSA-N 0 0 423.561 4.026 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(F)cc3)C2)cc1 ZINC000012391086 568695585 /nfs/dbraw/zinc/69/55/85/568695585.db2.gz IALFTBQCBIGBPX-JLTOFOAXSA-N 0 0 406.417 4.197 50 30 HIEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3ccc(O)cc3)C12 ZINC000012391689 568696099 /nfs/dbraw/zinc/69/60/99/568696099.db2.gz ABXOXHZYVKDATD-ORAYPTAESA-N 0 0 408.845 4.408 50 30 HIEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3ccc(O)cc3)C12 ZINC000012391690 568696450 /nfs/dbraw/zinc/69/64/50/568696450.db2.gz ABXOXHZYVKDATD-YJYMSZOUSA-N 0 0 408.845 4.408 50 30 HIEARN N#Cc1cc(C#N)c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc1N ZINC000021425390 568701993 /nfs/dbraw/zinc/70/19/93/568701993.db2.gz OXUHTHVSKMUBMX-GOSISDBHSA-N 0 0 403.442 4.018 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1ccco1 ZINC000000859152 568711557 /nfs/dbraw/zinc/71/15/57/568711557.db2.gz BWLBGNRSXFSEMA-QGZVFWFLSA-N 0 0 406.467 4.274 50 30 HIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000012408424 568712479 /nfs/dbraw/zinc/71/24/79/568712479.db2.gz GKFMTDLMGJYULE-BTYIYWSLSA-N 0 0 418.453 4.066 50 30 HIEARN Cc1ccc(C(=O)N2CCN(c3oc(-c4cccc(Cl)c4)nc3C#N)CC2)cc1 ZINC000012418371 568718768 /nfs/dbraw/zinc/71/87/68/568718768.db2.gz OFFPDIUONSRCNX-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N4C[C@H](C)O[C@@H](C)C4)o3)o2)cc1 ZINC000012418940 568718979 /nfs/dbraw/zinc/71/89/79/568718979.db2.gz AAZLLCBBLFGUQG-GJZGRUSLSA-N 0 0 409.442 4.007 50 30 HIEARN Cc1ccc(S(=O)(=O)N/N=C2\[C@H](C)CC[C@]3(O)[C@H](C)CC[C@@H](C(C)C)[C@@H]23)cc1 ZINC000253407260 568754034 /nfs/dbraw/zinc/75/40/34/568754034.db2.gz VUGGHMZYUWKQCY-CZBRPBQNSA-N 0 0 406.592 4.109 50 30 HIEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)N1CCCC1 ZINC000001006960 568761870 /nfs/dbraw/zinc/76/18/70/568761870.db2.gz FMLCKMSIOBUPAF-UHFFFAOYSA-N 0 0 411.552 4.026 50 30 HIEARN O=C(NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(F)cc2)N1)c1ccco1 ZINC000096791633 568764532 /nfs/dbraw/zinc/76/45/32/568764532.db2.gz HHKUSRQIZSSKJJ-GOSISDBHSA-N 0 0 401.401 4.052 50 30 HIEARN COC(=O)[C@@H]1C(=O)C=C(Nc2sc3c(c2C#N)CCCC3)C[C@@H]1c1ccccc1 ZINC000001079979 568767502 /nfs/dbraw/zinc/76/75/02/568767502.db2.gz GIAFOBGYEXCECD-UTKZUKDTSA-N 0 0 406.507 4.340 50 30 HIEARN COc1ccc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1Br ZINC000001097701 568769767 /nfs/dbraw/zinc/76/97/67/568769767.db2.gz HZTQOMHGYOWTSW-SXGWCWSVSA-N 0 0 413.223 4.489 50 30 biogenic HIEARN C=CCSc1nnc(N2C(=O)C[C@@H](c3cccs3)C3=C2CCCC3=O)s1 ZINC000002493529 568776188 /nfs/dbraw/zinc/77/61/88/568776188.db2.gz XJRGJEYFYMSDAI-NSHDSACASA-N 0 0 403.554 4.405 50 30 HIEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1ccc3ccccc3n1)CCCCC2 ZINC000002627154 568789672 /nfs/dbraw/zinc/78/96/72/568789672.db2.gz BJEMRBPNYDYUDH-UHFFFAOYSA-N 0 0 405.479 4.232 50 30 HIEARN N#Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)sc2c1CCCCC2 ZINC000002872525 568813758 /nfs/dbraw/zinc/81/37/58/568813758.db2.gz SCJCCJFVOLKLPH-UHFFFAOYSA-N 0 0 409.423 4.156 50 30 HIEARN CCOc1cc(C#N)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000002875739 568813969 /nfs/dbraw/zinc/81/39/69/568813969.db2.gz HVEUJMRKGHNHPB-UHFFFAOYSA-N 0 0 424.194 4.049 50 30 HIEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000015183300 568818588 /nfs/dbraw/zinc/81/85/88/568818588.db2.gz ICUCBUKPZGMJJO-UHFFFAOYSA-N 0 0 416.474 4.073 50 30 HIEARN N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000005886842 568827758 /nfs/dbraw/zinc/82/77/58/568827758.db2.gz CCXKVLRPKUXCMA-UHFFFAOYSA-N 0 0 407.480 4.191 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3nc(Cl)ccc3Cl)sc2C1 ZINC000003266270 568849485 /nfs/dbraw/zinc/84/94/85/568849485.db2.gz YVEKNUSFZAXEDB-VIFPVBQESA-N 0 0 424.309 4.242 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1ccc2c(c1)OCCO2)[C@H](c1ccco1)CC(=O)O3 ZINC000263585646 568878644 /nfs/dbraw/zinc/87/86/44/568878644.db2.gz LBCGITJENXLQBG-PFHZTYADSA-N 0 0 416.385 4.108 50 30 HIEARN Cc1cc2oc(=O)cc(COC(=O)c3ccc(NC(=O)CC#N)cc3)c2cc1C(C)C ZINC000003334634 568882585 /nfs/dbraw/zinc/88/25/85/568882585.db2.gz XTOIEAPVHFKYAT-UHFFFAOYSA-N 0 0 418.449 4.434 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nnc3[nH]c4ccccc4n31)CCCCC2 ZINC000003370129 568889750 /nfs/dbraw/zinc/88/97/50/568889750.db2.gz PDVYKESQFKPUIV-UHFFFAOYSA-N 0 0 422.539 4.143 50 30 HIEARN C=CCn1c(C)cc(C(=O)CSCc2nc(=O)c3c(C)c(C)sc3[nH]2)c1C ZINC000003397225 568895413 /nfs/dbraw/zinc/89/54/13/568895413.db2.gz HYTBYLLXLGJEMJ-UHFFFAOYSA-N 0 0 401.557 4.322 50 30 HIEARN Cc1nc(SCc2ccc(C#N)cc2)c(C#N)c(-c2ccco2)c1C(=O)N(C)C ZINC000003416943 568899330 /nfs/dbraw/zinc/89/93/30/568899330.db2.gz ZETXIIMTBYHDCZ-UHFFFAOYSA-N 0 0 402.479 4.387 50 30 HIEARN C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000003550801 568914905 /nfs/dbraw/zinc/91/49/05/568914905.db2.gz DWPIRVVBEVXGHN-ZIAGYGMSSA-N 0 0 419.616 4.022 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc(C)cs2)c1 ZINC000003561948 568916033 /nfs/dbraw/zinc/91/60/33/568916033.db2.gz GSXUUVCVTNXZCR-UHFFFAOYSA-N 0 0 413.524 4.085 50 30 HIEARN O=C(N/C(=N/c1ccccc1)NCc1ccncc1)c1cccc(Br)c1 ZINC000045939957 568921104 /nfs/dbraw/zinc/92/11/04/568921104.db2.gz MJUOQXMMLXRHPC-UHFFFAOYSA-N 0 0 409.287 4.051 50 30 HIEARN CCOC(=O)c1sc2nccc(OC)c2c1NC=NOCc1ccc(F)cc1 ZINC000004002352 568932873 /nfs/dbraw/zinc/93/28/73/568932873.db2.gz CVKSBUJBDBEFAE-UHFFFAOYSA-N 0 0 403.435 4.193 50 30 HIEARN COc1ccccc1N(C(C)=O)c1nc(COc2cc(C)nc(C)c2C#N)cs1 ZINC000084076942 568935926 /nfs/dbraw/zinc/93/59/26/568935926.db2.gz POPCKSRCKJGOPZ-UHFFFAOYSA-N 0 0 408.483 4.299 50 30 HIEARN Cc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000084093840 568937276 /nfs/dbraw/zinc/93/72/76/568937276.db2.gz RWAAKMMVPGVOQO-HXUWFJFHSA-N 0 0 424.501 4.312 50 30 HIEARN C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 ZINC000012749741 568937661 /nfs/dbraw/zinc/93/76/61/568937661.db2.gz QFOADKQIZUBIHN-UHFFFAOYSA-N 0 0 411.556 4.043 50 30 HIEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1 ZINC000004093477 568942450 /nfs/dbraw/zinc/94/24/50/568942450.db2.gz LXQNASURLGZXDD-OAQYLSRUSA-N 0 0 418.449 4.160 50 30 HIEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cnc4ccccc4c3=O)sc2C1 ZINC000059315930 568951347 /nfs/dbraw/zinc/95/13/47/568951347.db2.gz GRPDYRHWFPKUEC-CQSZACIVSA-N 0 0 420.538 4.119 50 30 HIEARN N#Cc1c2c(sc1NC(=O)CSc1nncn1-c1ccccc1)CCCCC2 ZINC000007986712 568964817 /nfs/dbraw/zinc/96/48/17/568964817.db2.gz RDUJLVRMBUNRTM-UHFFFAOYSA-N 0 0 409.540 4.200 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000005499396 568965347 /nfs/dbraw/zinc/96/53/47/568965347.db2.gz NYPVQBACVWLKHX-UHFFFAOYSA-N 0 0 408.527 4.391 50 30 HIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C)N2 ZINC000007990976 568976081 /nfs/dbraw/zinc/97/60/81/568976081.db2.gz LPDPASHDSPLHRX-OAHLLOKOSA-N 0 0 417.918 4.096 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cccnc1 ZINC000010231057 568988410 /nfs/dbraw/zinc/98/84/10/568988410.db2.gz NORQWVITWKYOFW-UHFFFAOYSA-N 0 0 419.432 4.276 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310311 568988552 /nfs/dbraw/zinc/98/85/52/568988552.db2.gz YXZRPDDVWPCUEC-LJQANCHMSA-N 0 0 411.889 4.149 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310310 568988577 /nfs/dbraw/zinc/98/85/77/568988577.db2.gz YXZRPDDVWPCUEC-IBGZPJMESA-N 0 0 411.889 4.149 50 30 HIEARN O=[N+]([O-])c1cccc(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000012523961 568992032 /nfs/dbraw/zinc/99/20/32/568992032.db2.gz CPTAQAUPTREQER-UHFFFAOYSA-N 0 0 415.858 4.496 50 30 HIEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)o1 ZINC000012092810 568993022 /nfs/dbraw/zinc/99/30/22/568993022.db2.gz LUNICTAGMFEQTQ-OAQYLSRUSA-N 0 0 415.489 4.290 50 30 HIEARN C=CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccccc1OC ZINC000006077248 568993029 /nfs/dbraw/zinc/99/30/29/568993029.db2.gz OARKWPNOFWYLGQ-INIZCTEOSA-N 0 0 420.538 4.210 50 30 HIEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S ZINC000012343711 568994412 /nfs/dbraw/zinc/99/44/12/568994412.db2.gz NASLGRREAVKNNT-XFXZXTDPSA-N 0 0 407.278 4.066 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000008365496 568995269 /nfs/dbraw/zinc/99/52/69/568995269.db2.gz QICKMAOZUGSFIB-OAHLLOKOSA-N 0 0 413.572 4.248 50 30 HIEARN COc1ccccc1NC1=CC(=NS(=O)(=O)c2ccccc2)c2ccccc2C1=O ZINC000008439181 569003047 /nfs/dbraw/zinc/00/30/47/569003047.db2.gz GTFZYECFHWDORG-LKUDQCMESA-N 0 0 418.474 4.066 50 30 HIEARN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC ZINC000015010866 569004220 /nfs/dbraw/zinc/00/42/20/569004220.db2.gz AFOKFZRWJUUYOB-MOSHPQCFSA-N 0 0 411.454 4.473 50 30 HIEARN C=CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2sc3c(c2c1=O)CCC3 ZINC000006111588 569004740 /nfs/dbraw/zinc/00/47/40/569004740.db2.gz QGMGCYADBPDYSM-CYBMUJFWSA-N 0 0 417.600 4.062 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000015940612 569005197 /nfs/dbraw/zinc/00/51/97/569005197.db2.gz AXIMWYFDEMIPHO-KDURUIRLSA-N 0 0 412.555 4.186 50 30 HIEARN C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)NCc1ccccc1 ZINC000000687790 569005932 /nfs/dbraw/zinc/00/59/32/569005932.db2.gz IVEQMRGHRWGFNQ-UHFFFAOYSA-N 0 0 424.595 4.306 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2sc(C)c(C)c2c1=O ZINC000000784816 569005996 /nfs/dbraw/zinc/00/59/96/569005996.db2.gz NOESPKBZNRFGJX-UHFFFAOYSA-N 0 0 415.540 4.000 50 30 HIEARN C=CCn1c(=O)c2c3c(sc2nc1SCCC(=O)NC1CCCCC1)CCC3 ZINC000000937419 569006141 /nfs/dbraw/zinc/00/61/41/569006141.db2.gz MKWZXMHUDZRQEE-UHFFFAOYSA-N 0 0 417.600 4.064 50 30 HIEARN C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1 ZINC000002073805 569006934 /nfs/dbraw/zinc/00/69/34/569006934.db2.gz AVHKAPNQTJIMCD-NRFANRHFSA-N 0 0 420.494 4.269 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccccc1C ZINC000002324241 569007178 /nfs/dbraw/zinc/00/71/78/569007178.db2.gz FYHLPGSKCZXHCZ-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccccc1C ZINC000002351451 569007229 /nfs/dbraw/zinc/00/72/29/569007229.db2.gz NKOGLLWQIHBOMP-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(OC)cc1 ZINC000002446926 569007446 /nfs/dbraw/zinc/00/74/46/569007446.db2.gz AWYHJWHFFLLBGG-UHFFFAOYSA-N 0 0 416.453 4.149 50 30 HIEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSc2nnc(C3CC3)o2)c1C#N ZINC000012854045 569010644 /nfs/dbraw/zinc/01/06/44/569010644.db2.gz VNDYKHUIRBMPLN-UHFFFAOYSA-N 0 0 407.499 4.016 50 30 HIEARN Cc1ccc(-c2csc(N(C(=O)Cn3cnc(C#N)n3)c3cccc(C)c3)n2)cc1 ZINC000012873095 569013373 /nfs/dbraw/zinc/01/33/73/569013373.db2.gz WEWOZIGUZVEBHL-UHFFFAOYSA-N 0 0 414.494 4.255 50 30 HIEARN CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cn2ccccc2c1C#N ZINC000012874532 569013479 /nfs/dbraw/zinc/01/34/79/569013479.db2.gz PUKVXHWGQLRSGR-YCRPNKLZSA-N 0 0 423.900 4.352 50 30 HIEARN C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1csc(C)c1CC ZINC000017089355 569016952 /nfs/dbraw/zinc/01/69/52/569016952.db2.gz CCESAKODKVPGIM-UHFFFAOYSA-N 0 0 412.584 4.472 50 30 HIEARN C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccc(OCC)cc1 ZINC000017090106 569016963 /nfs/dbraw/zinc/01/69/63/569016963.db2.gz RURYXSYDNQTXON-UHFFFAOYSA-N 0 0 414.575 4.461 50 30 HIEARN COc1ccc(C)cc1-c1csc(NC(=O)CCc2c(C)nn(CCC#N)c2C)n1 ZINC000012924868 569023624 /nfs/dbraw/zinc/02/36/24/569023624.db2.gz FLVBKJAEHYHLST-UHFFFAOYSA-N 0 0 423.542 4.425 50 30 HIEARN N#Cc1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000016047955 569028416 /nfs/dbraw/zinc/02/84/16/569028416.db2.gz PCLMXWAGYSKCCJ-UHFFFAOYSA-N 0 0 422.959 4.345 50 30 HIEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006275372 569036868 /nfs/dbraw/zinc/03/68/68/569036868.db2.gz VKAFXTKIXYZYAN-ULJHMMPZSA-N 0 0 413.543 4.216 50 30 HIEARN COc1ccc(Br)cc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000238937419 569053920 /nfs/dbraw/zinc/05/39/20/569053920.db2.gz VFLACYBMNGYBML-UHFFFAOYSA-N 0 0 422.754 4.263 50 30 HIEARN COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2c1 ZINC000064473580 569063813 /nfs/dbraw/zinc/06/38/13/569063813.db2.gz BEMCKFWMJVBDNP-UHFFFAOYSA-N 0 0 422.435 4.248 50 30 HIEARN C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([C@H](C)CC)cc1 ZINC000006541011 569064753 /nfs/dbraw/zinc/06/47/53/569064753.db2.gz PXXZBXYXOKLRCJ-MRXNPFEDSA-N 0 0 407.539 4.294 50 30 HIEARN CC(C)Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1F ZINC000006563901 569066172 /nfs/dbraw/zinc/06/61/72/569066172.db2.gz XRALSRVULIHRJJ-UHFFFAOYSA-N 0 0 415.519 4.404 50 30 HIEARN Cc1nn(CCC#N)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000006566494 569066285 /nfs/dbraw/zinc/06/62/85/569066285.db2.gz SDRYKGDZLBCAPO-HXUWFJFHSA-N 0 0 404.470 4.035 50 30 HIEARN COc1cc(OC)cc(C(=O)Oc2cc3c(c(C)c2)C(=O)/C(=C/c2cccnc2)O3)c1 ZINC000006670091 569086620 /nfs/dbraw/zinc/08/66/20/569086620.db2.gz RLXDASNENZOLOL-WNFQYIGGSA-N 0 0 417.417 4.243 50 30 HIEARN COc1cccc(OC)c1C(=O)Oc1cc2c(c(C)c1)C(=O)/C(=C/c1ccncc1)O2 ZINC000006669875 569086628 /nfs/dbraw/zinc/08/66/28/569086628.db2.gz XIMSIVAHVZKBFL-NDENLUEZSA-N 0 0 417.417 4.243 50 30 HIEARN COc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2C(=O)CC(C)(C)CC2=N3)cc1 ZINC000006732557 569103613 /nfs/dbraw/zinc/10/36/13/569103613.db2.gz RYORSBVFANXGIB-HXUWFJFHSA-N 0 0 401.470 4.007 50 30 HIEARN N#Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 ZINC000006760752 569114187 /nfs/dbraw/zinc/11/41/87/569114187.db2.gz BCMKDWHKBXMDHP-GDBMZVCRSA-N 0 0 401.348 4.260 50 30 HIEARN CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006783468 569120705 /nfs/dbraw/zinc/12/07/05/569120705.db2.gz OLLAJVGPNJFVBV-NRFANRHFSA-N 0 0 418.449 4.242 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000006813686 569137243 /nfs/dbraw/zinc/13/72/43/569137243.db2.gz OSJQPTAIBQRBOX-BEFAXECRSA-N 0 0 415.848 4.236 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000006813685 569137262 /nfs/dbraw/zinc/13/72/62/569137262.db2.gz OSJQPTAIBQRBOX-KXBFYZLASA-N 0 0 415.848 4.236 50 30 HIEARN CCOc1ccc(-c2nnc(SCC(=O)Nc3sccc3C#N)n2CC)cc1 ZINC000017089624 569273750 /nfs/dbraw/zinc/27/37/50/569273750.db2.gz BUQREIIEHSRWOY-UHFFFAOYSA-N 0 0 413.528 4.028 50 30 HIEARN N#Cc1sc2nc3nc4c(c(-c5ccccc5)c3c(=O)n2c1N)CCc1ccccc1-4 ZINC000017117767 569274998 /nfs/dbraw/zinc/27/49/98/569274998.db2.gz TXALIYWDQGQQSE-UHFFFAOYSA-N 0 0 421.485 4.191 50 30 HIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1F ZINC000006420784 569279875 /nfs/dbraw/zinc/27/98/75/569279875.db2.gz VKFDASYKYSZGHD-HXUWFJFHSA-N 0 0 407.397 4.211 50 30 HIEARN CCOc1ccc(Br)cc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000252426807 569285223 /nfs/dbraw/zinc/28/52/23/569285223.db2.gz LORPYMGUTOXFLD-UHFFFAOYSA-N 0 0 414.303 4.396 50 30 HIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(C)=O)c2)SC1=Nc1ccc(C)cc1 ZINC000252612452 569300443 /nfs/dbraw/zinc/30/04/43/569300443.db2.gz ITOMUQZLARTKSY-HXUWFJFHSA-N 0 0 421.522 4.344 50 30 HIEARN CCn1c(C)cc(/C=C2/SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)c1C ZINC000252618577 569302493 /nfs/dbraw/zinc/30/24/93/569302493.db2.gz LHTBWDPWZLLQFH-QQAFOXPBSA-N 0 0 424.570 4.195 50 30 HIEARN CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252629429 569311427 /nfs/dbraw/zinc/31/14/27/569311427.db2.gz UFQPFUUVYXYCTG-VUARGGTQSA-N 0 0 409.511 4.163 50 30 HIEARN COc1ccccc1N=C1S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N1C ZINC000252629955 569311526 /nfs/dbraw/zinc/31/15/26/569311526.db2.gz UREUWHZXGYJBAP-KRWDZBQOSA-N 0 0 417.918 4.247 50 30 HIEARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)c(F)c2)cc1 ZINC000253430643 569368800 /nfs/dbraw/zinc/36/88/00/569368800.db2.gz KJIRMIGTQLZVNW-UHFFFAOYSA-N 0 0 413.412 4.206 50 30 HIEARN C=CCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002291016 569369003 /nfs/dbraw/zinc/36/90/03/569369003.db2.gz ZFWNFCNCLQHQBD-UHFFFAOYSA-N 0 0 412.280 4.379 50 30 HIEARN COc1cccc(/C=C/c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000054151496 569369675 /nfs/dbraw/zinc/36/96/75/569369675.db2.gz CENJXWPSNBYMDM-ZHACJKMWSA-N 0 0 400.482 4.047 50 30 HIEARN CCC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(F)cc2)C1=O ZINC000002321657 569375190 /nfs/dbraw/zinc/37/51/90/569375190.db2.gz VCHFDMLVDMNIGJ-RCRZSSQQSA-N 0 0 414.462 4.368 50 30 HIEARN CSc1nn(-c2cc(Oc3ccc(F)cc3)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000632467 569383804 /nfs/dbraw/zinc/38/38/04/569383804.db2.gz KENGLEJGASOBRW-UHFFFAOYSA-N 0 0 418.457 4.436 50 30 HIEARN Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CNc3ccc(C(C)C)cc3)c2c1C#N ZINC000002380489 569390289 /nfs/dbraw/zinc/39/02/89/569390289.db2.gz UILGBNPAVMKMJB-FQEVSTJZSA-N 0 0 414.509 4.031 50 30 HIEARN COc1ccccc1N1CCN(c2oc(COc3ccc(Cl)cc3)nc2C#N)CC1 ZINC000027742832 569392214 /nfs/dbraw/zinc/39/22/14/569392214.db2.gz KKTDAFKFGGGCHE-UHFFFAOYSA-N 0 0 424.888 4.114 50 30 HIEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c1 ZINC000012662797 569402736 /nfs/dbraw/zinc/40/27/36/569402736.db2.gz ZJBGYLBSDLCRTD-JAIQZWGSSA-N 0 0 412.438 4.041 50 30 HIEARN O=[N+]([O-])c1ccc2c(c1)[C@H](C#Cc1ccccc1)[C@@H]1CCCC[C@@]1(N1CCOCC1)O2 ZINC000013424181 569413897 /nfs/dbraw/zinc/41/38/97/569413897.db2.gz SKBBHBNUUXAXJS-UMXIMWEHSA-N 0 0 418.493 4.341 50 30 HIEARN COC(OC)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000328591798 569415135 /nfs/dbraw/zinc/41/51/35/569415135.db2.gz LTEURUKAUGVCGJ-HZMBPMFUSA-N 0 0 423.362 4.384 50 30 HIEARN O=C(COC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 ZINC000328592498 569415462 /nfs/dbraw/zinc/41/54/62/569415462.db2.gz ZLQKRVMPAXQXDK-NRFANRHFSA-N 0 0 406.413 4.054 50 30 HIEARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000019684248 569428384 /nfs/dbraw/zinc/42/83/84/569428384.db2.gz CJJIZPGNBSYIAS-UHFFFAOYSA-N 0 0 421.419 4.242 50 30 HIEARN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCN(c3ccccc3)CC2)n1 ZINC000019820691 569430817 /nfs/dbraw/zinc/43/08/17/569430817.db2.gz VSSSKRSJVNVQIF-UHFFFAOYSA-N 0 0 401.539 4.372 50 30 HIEARN N#CCC(=O)Nc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000008709570 571104778 /nfs/dbraw/zinc/10/47/78/571104778.db2.gz IFJVRJMMQTYZNP-HXUWFJFHSA-N 0 0 407.520 4.450 50 30 HIEARN CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000008809565 571121046 /nfs/dbraw/zinc/12/10/46/571121046.db2.gz OUWIEMQPMBFADD-UHFFFAOYSA-N 0 0 414.430 4.315 50 30 HIEARN C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008846042 571125726 /nfs/dbraw/zinc/12/57/26/571125726.db2.gz WHLMRCATEYFITR-QHCPKHFHSA-N 0 0 424.456 4.498 50 30 HIEARN COc1ccc2cc([C@H]3CC(c4ccc(C#N)cc4)=NN3C(C)=O)c(Cl)nc2c1 ZINC000039563644 571133340 /nfs/dbraw/zinc/13/33/40/571133340.db2.gz ZCBATMJZDQORLR-OAQYLSRUSA-N 0 0 404.857 4.466 50 30 HIEARN C#CCN(Cc1ccc(C)cc1)C(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl ZINC000069532297 571228961 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COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1C ZINC000102519802 523378122 /nfs/dbraw/zinc/37/81/22/523378122.db2.gz GKXVUDKJDMRARQ-HOGKFDNTSA-N 0 0 414.461 4.021 50 30 HIEARN COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 ZINC000001768129 523452060 /nfs/dbraw/zinc/45/20/60/523452060.db2.gz FFORQTARUSEPOP-FOKLQQMPSA-N 0 0 407.499 4.167 50 30 HIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2cccc(F)c2)c1C ZINC000032971802 523640867 /nfs/dbraw/zinc/64/08/67/523640867.db2.gz AZGCPQWOMPNXCP-UHFFFAOYSA-N 0 0 411.456 4.196 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000006839594 524109734 /nfs/dbraw/zinc/10/97/34/524109734.db2.gz UMPCUGOHQJRWNT-JOCHJYFZSA-N 0 0 406.457 4.441 50 30 HIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2cccc(O)c2)CC(=O)O3)C1=O ZINC000263585507 524321620 /nfs/dbraw/zinc/32/16/20/524321620.db2.gz JKWDWVGZUYPALT-UZQMFHLOSA-N 0 0 414.413 4.458 50 30 HIEARN COc1ccccc1/N=C1/S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC(=O)N1C ZINC000100570315 524328818 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Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000029053347 527140276 /nfs/dbraw/zinc/14/02/76/527140276.db2.gz YBDQBSNUOUHTNR-JOCHJYFZSA-N 0 0 422.891 4.358 50 30 HIEARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000029053342 527140503 /nfs/dbraw/zinc/14/05/03/527140503.db2.gz YBDQBSNUOUHTNR-QFIPXVFZSA-N 0 0 422.891 4.358 50 30 HIEARN O=S(=O)(NN=Cc1c[nH]nc1-c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000032575658 527203363 /nfs/dbraw/zinc/20/33/63/527203363.db2.gz PAYHQIQIJQAJGL-QRVIBDJDSA-N 0 0 410.886 4.196 50 30 HIEARN O=[N+]([O-])c1cccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022078724 527384770 /nfs/dbraw/zinc/38/47/70/527384770.db2.gz VWIBXJATTNATIR-PLRJNAJWSA-N 0 0 400.482 4.336 50 30 HIEARN Cc1nn(-c2ccc(C(=O)Nc3sccc3C#N)cc2)c(C)c1Br ZINC000031876685 527521309 /nfs/dbraw/zinc/52/13/09/527521309.db2.gz TZPXLCYUASYWPX-UHFFFAOYSA-N 0 0 401.289 4.437 50 30 HIEARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000096765453 527545707 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C=CCOc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(OC)cc1 ZINC000002506375 557353311 /nfs/dbraw/zinc/35/33/11/557353311.db2.gz UTLMEOVSPHWIPW-UDWIEESQSA-N 0 0 420.332 4.343 50 30 HIEARN CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000002757853 557380692 /nfs/dbraw/zinc/38/06/92/557380692.db2.gz FYAQDBGFTVBLGE-HSZRJFAPSA-N 0 0 421.468 4.416 50 30 HIEARN C=CCSC1=N/C(=C\c2cc(Br)cc(OC)c2OC)C(=O)S1 ZINC000003002140 557440070 /nfs/dbraw/zinc/44/00/70/557440070.db2.gz KQILCKNYJDEYKO-XFFZJAGNSA-N 0 0 400.319 4.356 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c(OC)c1 ZINC000003098451 557446205 /nfs/dbraw/zinc/44/62/05/557446205.db2.gz BXJHGDJDSVBNKR-JOCHJYFZSA-N 0 0 411.498 4.158 50 30 HIEARN COC(=O)c1sccc1-c1ccc(/C=N/OCc2cc(F)cc3c2OCOC3)o1 ZINC000003119760 557448074 /nfs/dbraw/zinc/44/80/74/557448074.db2.gz MGZUBRXPQALLDR-GZIVZEMBSA-N 0 0 417.414 4.351 50 30 HIEARN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000004453043 557555971 /nfs/dbraw/zinc/55/59/71/557555971.db2.gz PIOJQTPEBFTPTD-GOSISDBHSA-N 0 0 419.905 4.221 50 30 HIEARN Cc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000004536214 557564445 /nfs/dbraw/zinc/56/44/45/557564445.db2.gz UJDDDRZVSWPRIS-HSZRJFAPSA-N 0 0 407.466 4.178 50 30 HIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)cc2OC)c1=O ZINC000004667439 557578938 /nfs/dbraw/zinc/57/89/38/557578938.db2.gz OBUWYASQHPGXCY-UXBLZVDNSA-N 0 0 418.287 4.154 50 30 HIEARN N=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004845104 557605444 /nfs/dbraw/zinc/60/54/44/557605444.db2.gz BYXATFOBLPNWQM-UHFFFAOYSA-N 0 0 412.405 4.287 50 30 HIEARN O=S(=O)(N/C(=N/c1ccccc1OC(F)F)c1ccccc1)c1ccccc1 ZINC000004884937 557609893 /nfs/dbraw/zinc/60/98/93/557609893.db2.gz ZMNUUUILOMQVGT-UHFFFAOYSA-N 0 0 402.422 4.345 50 30 HIEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc1 ZINC000004914285 557613416 /nfs/dbraw/zinc/61/34/16/557613416.db2.gz MFVZCQOGOXURSR-OXJNMPFZSA-N 0 0 421.493 4.107 50 30 HIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000004915274 557613774 /nfs/dbraw/zinc/61/37/74/557613774.db2.gz KQVCLBRCIISNSG-WBVHZDCISA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 ZINC000004957026 557617064 /nfs/dbraw/zinc/61/70/64/557617064.db2.gz BJIZUXWOJCFDQX-AHGRHQQFSA-N 0 0 405.454 4.420 50 30 HIEARN C[C@@H](Oc1cccc(Cl)c1)C(=O)ONC(=N)Cc1ccc(Cl)cc1Cl ZINC000004985878 557620831 /nfs/dbraw/zinc/62/08/31/557620831.db2.gz HAUCRSAQCWMFNW-SNVBAGLBSA-N 0 0 401.677 4.472 50 30 HIEARN COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 ZINC000004986704 557621041 /nfs/dbraw/zinc/62/10/41/557621041.db2.gz RAUCGKCPWJOWJA-SUMWQHHRSA-N 0 0 411.885 4.362 50 30 HIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000005584125 557663424 /nfs/dbraw/zinc/66/34/24/557663424.db2.gz LWOLTGAMSZPXGC-JOCHJYFZSA-N 0 0 414.461 4.177 50 30 HIEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S1)c1ccc(F)cc1 ZINC000005725218 557670943 /nfs/dbraw/zinc/67/09/43/557670943.db2.gz HNESGQHNJDYMTJ-HDDDNDSPSA-N 0 0 409.408 4.399 50 30 HIEARN Oc1ccc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000008427443 557788201 /nfs/dbraw/zinc/78/82/01/557788201.db2.gz FPKOSPVYMHLRBZ-OEAKJJBVSA-N 0 0 423.908 4.411 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008715667 557801242 /nfs/dbraw/zinc/80/12/42/557801242.db2.gz OBGANYMUPTWEDK-KKSFZXQISA-N 0 0 407.510 4.252 50 30 HIEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000009015403 557819688 /nfs/dbraw/zinc/81/96/88/557819688.db2.gz JCSLPJJDXISDHZ-NRFANRHFSA-N 0 0 400.434 4.182 50 30 HIEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)c1 ZINC000009046391 557820607 /nfs/dbraw/zinc/82/06/07/557820607.db2.gz RVJGBFDSPNFPAD-NRFANRHFSA-N 0 0 418.424 4.008 50 30 HIEARN N#Cc1ccccc1NC(=O)CN1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000022822038 557832731 /nfs/dbraw/zinc/83/27/31/557832731.db2.gz QFQKSGSNCJZAKC-UHFFFAOYSA-N 0 0 424.957 4.183 50 30 HIEARN CCN(CC)c1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000009484231 557844265 /nfs/dbraw/zinc/84/42/65/557844265.db2.gz DKGYYEKUBQAQCP-OPAMFIHVSA-N 0 0 403.486 4.133 50 30 HIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 ZINC000019770271 558279298 /nfs/dbraw/zinc/27/92/98/558279298.db2.gz JIAZCSREDLLJMN-QVKFZJNVSA-N 0 0 413.489 4.152 50 30 HIEARN COc1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1OC ZINC000019771354 558279924 /nfs/dbraw/zinc/27/99/24/558279924.db2.gz XHYFNFAUVKKOIK-NHFJDJAPSA-N 0 0 415.537 4.445 50 30 HIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000019811163 558286954 /nfs/dbraw/zinc/28/69/54/558286954.db2.gz CHEBPMJXKFXPAR-ZHRRBRCNSA-N 0 0 422.550 4.349 50 30 HIEARN COc1cccc(N(C(C)=O)C2=C(NC3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000019854193 558296172 /nfs/dbraw/zinc/29/61/72/558296172.db2.gz VGGAMOXBNYFOAY-UHFFFAOYSA-N 0 0 418.493 4.261 50 30 HIEARN C=CCN1C(=O)[C@H](Cc2ccc(Br)cc2)S/C1=N/N=C/c1ccco1 ZINC000013154564 558524263 /nfs/dbraw/zinc/52/42/63/558524263.db2.gz VPSUPNVJUMMGOX-RYSKPNPXSA-N 0 0 418.316 4.105 50 30 HIEARN COc1cc(/C=C2/S/C(=N/c3ccc(Br)cc3)NC2=O)ccc1O ZINC000013546804 558538131 /nfs/dbraw/zinc/53/81/31/558538131.db2.gz LCEXSOWITPBJIU-OQLLNIDSSA-N 0 0 405.273 4.055 50 30 HIEARN CCN1C(=O)C[C@H](C(=O)Nc2cccc(OC)c2)S/C1=N\c1cccc(Cl)c1 ZINC000013551713 558539089 /nfs/dbraw/zinc/53/90/89/558539089.db2.gz XELWHAWRINIOTD-HLGQQVFSSA-N 0 0 417.918 4.329 50 30 HIEARN COc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@H]4c2ccccc2)cc1 ZINC000013575173 558543440 /nfs/dbraw/zinc/54/34/40/558543440.db2.gz FOLOLNAGSIZBFH-HXUWFJFHSA-N 0 0 424.460 4.331 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000072191589 558563312 /nfs/dbraw/zinc/56/33/12/558563312.db2.gz SKQPMZXOXAOYCG-UHFFFAOYSA-N 0 0 421.482 4.012 50 30 HIEARN COc1cc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc(OC)c1OC ZINC000013689799 558571963 /nfs/dbraw/zinc/57/19/63/558571963.db2.gz ANHMQWGEAPZUHJ-YBEGLDIGSA-N 0 0 404.875 4.257 50 30 HIEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1ccc(C)cc1 ZINC000004512826 558627845 /nfs/dbraw/zinc/62/78/45/558627845.db2.gz KPDVTEZVTICKPS-UHFFFAOYSA-N 0 0 408.458 4.282 50 30 HIEARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC#N ZINC000015229270 558728930 /nfs/dbraw/zinc/72/89/30/558728930.db2.gz SHLDYZGDOUPPTA-WQRHYEAKSA-N 0 0 414.870 4.487 50 30 HIEARN C=CCc1cc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000072295980 558748702 /nfs/dbraw/zinc/74/87/02/558748702.db2.gz PHAGNOJQWJZIJO-OAQYLSRUSA-N 0 0 414.483 4.228 50 30 HIEARN CCC(=[NH+]C[C@@H]1CCCO1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000015930689 558762544 /nfs/dbraw/zinc/76/25/44/558762544.db2.gz ANCJRZGSDGEEPT-FNMOKXMESA-N 0 0 424.448 4.172 50 30 HIEARN CCOc1cc(/C=N/O)cc(I)c1OCc1ccc(F)cc1 ZINC000016688525 558799951 /nfs/dbraw/zinc/79/99/51/558799951.db2.gz JYQZMFFFOIUWAT-DJKKODMXSA-N 0 0 415.202 4.216 50 30 HIEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)cc1 ZINC000017057829 558813407 /nfs/dbraw/zinc/81/34/07/558813407.db2.gz UEWZJBUREJJDAS-OAQYLSRUSA-N 0 0 418.449 4.240 50 30 HIEARN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1 ZINC000033011233 558831242 /nfs/dbraw/zinc/83/12/42/558831242.db2.gz DMKHAEJOKRMHHJ-UHFFFAOYSA-N 0 0 403.463 4.138 50 30 HIEARN C=CCOc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000004593334 558831245 /nfs/dbraw/zinc/83/12/45/558831245.db2.gz OPUNSNHLLOEPNQ-IRLDBZIGSA-N 0 0 416.521 4.445 50 30 HIEARN COc1ccccc1CN1COc2ccc3c(c2C1)O/C(=C\c1ccncc1)C3=O ZINC000013735017 558861280 /nfs/dbraw/zinc/86/12/80/558861280.db2.gz OSHUHONOHDKOCE-UUYOSTAYSA-N 0 0 400.434 4.059 50 30 HIEARN O[C@@H]1OCCC[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000068568586 558863417 /nfs/dbraw/zinc/86/34/17/558863417.db2.gz YEMOXYUOUXISBX-RFZPGFLSSA-N 0 0 420.165 4.470 50 30 HIEARN COc1ccccc1C(=O)OCC(=O)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC000068592022 558863653 /nfs/dbraw/zinc/86/36/53/558863653.db2.gz KAJWSYHWWIEVQQ-SSZFMOIBSA-N 0 0 416.429 4.354 50 30 HIEARN CC(C)c1nc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C#N)c2c1CCCC2 ZINC000013758015 558865238 /nfs/dbraw/zinc/86/52/38/558865238.db2.gz XFGGXOADYHVDJT-UHFFFAOYSA-N 0 0 419.598 4.474 50 30 HIEARN CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000097954028 558865593 /nfs/dbraw/zinc/86/55/93/558865593.db2.gz WVSDPBMRQIYJFH-OTWHNJEPSA-N 0 0 424.545 4.364 50 30 HIEARN COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C3CC3)ccc2C1=O ZINC000013777015 558868371 /nfs/dbraw/zinc/86/83/71/558868371.db2.gz YKRPNAYHTRZIJW-NVMNQCDNSA-N 0 0 415.239 4.389 50 30 HIEARN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000004678040 558881563 /nfs/dbraw/zinc/88/15/63/558881563.db2.gz CACHYAWUXJJZNL-YDZHTSKRSA-N 0 0 410.477 4.367 50 30 HIEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1Cl ZINC000004680900 558894252 /nfs/dbraw/zinc/89/42/52/558894252.db2.gz DORWPSXQVJJCFH-LTUQMTLXSA-N 0 0 405.882 4.378 50 30 HIEARN C=CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(OC)c1 ZINC000011181516 558930268 /nfs/dbraw/zinc/93/02/68/558930268.db2.gz DAVJWNLXCDTKMO-UHFFFAOYSA-N 0 0 406.438 4.287 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019624735 558947013 /nfs/dbraw/zinc/94/70/13/558947013.db2.gz WJLSNZKWVGBKNW-DEOSSOPVSA-N 0 0 416.521 4.472 50 30 HIEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019624786 558947069 /nfs/dbraw/zinc/94/70/69/558947069.db2.gz JSYWIIHSOUQPJY-QHCPKHFHSA-N 0 0 416.521 4.472 50 30 HIEARN COc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1OC ZINC000019638156 558947775 /nfs/dbraw/zinc/94/77/75/558947775.db2.gz YSLVDLWFGYFTRY-OAQYLSRUSA-N 0 0 411.498 4.158 50 30 HIEARN CN=C(Nc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000096509946 558962169 /nfs/dbraw/zinc/96/21/69/558962169.db2.gz PIGAIGVVNVDOOT-OAHLLOKOSA-N 0 0 408.310 4.266 50 30 HIEARN Cc1ccc(NC(=O)C[C@@H]2CC3=C(C[C@H](c4ccc(C)cc4)CC3=O)NC2=O)cc1 ZINC000334160424 558979790 /nfs/dbraw/zinc/97/97/90/558979790.db2.gz DNHSXOUWERSFRA-OALUTQOASA-N 0 0 402.494 4.169 50 30 HIEARN COCCN=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(C)cc1C)C2 ZINC000097112520 558994857 /nfs/dbraw/zinc/99/48/57/558994857.db2.gz FNBSMDJZULSCLL-XMMPIXPASA-N 0 0 421.545 4.252 50 30 HIEARN N#Cc1cc2c(nc1SCC(=O)NC1CCCCC1)CCN(Cc1ccccc1)C2 ZINC000033317842 559055769 /nfs/dbraw/zinc/05/57/69/559055769.db2.gz AQCIMEZBKDCYNM-UHFFFAOYSA-N 0 0 420.582 4.053 50 30 HIEARN CC1(C)CC(=O)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100034042 559129034 /nfs/dbraw/zinc/12/90/34/559129034.db2.gz WIFCYJMTCUPDDT-IBGZPJMESA-N 0 0 413.470 4.454 50 30 HIEARN C=CC[C@]1(C#N)C(=S)NC(c2ccccc2)=C(C(=O)OCC)[C@@H]1c1cccnc1 ZINC000100100863 559129806 /nfs/dbraw/zinc/12/98/06/559129806.db2.gz JARYIWRELCNLKV-WMZHIEFXSA-N 0 0 403.507 4.156 50 30 HIEARN COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)cc2)cc1 ZINC000014094364 559149888 /nfs/dbraw/zinc/14/98/88/559149888.db2.gz DXDLPPFQPNAQIX-MRXNPFEDSA-N 0 0 414.465 4.258 50 30 HIEARN CCOc1ccc(CC(=O)C2=C(NC)C[C@@H](c3ccccc3)CC2=O)cc1OCC ZINC000100155615 559166029 /nfs/dbraw/zinc/16/60/29/559166029.db2.gz PDSVKGBGSLZTIM-LJQANCHMSA-N 0 0 407.510 4.216 50 30 HIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O ZINC000004904662 559200451 /nfs/dbraw/zinc/20/04/51/559200451.db2.gz LLAKWYGOLUQRPF-GIUUDRRCSA-N 0 0 411.527 4.256 50 30 HIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000004918170 559204517 /nfs/dbraw/zinc/20/45/17/559204517.db2.gz DADISLKVQLGBRZ-WMZHIEFXSA-N 0 0 410.466 4.032 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC ZINC000004993253 559225328 /nfs/dbraw/zinc/22/53/28/559225328.db2.gz FBTLTDQTERBAEW-QHCPKHFHSA-N 0 0 418.493 4.310 50 30 HIEARN CCOC(=O)/C(=C/C=C1\Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O ZINC000005128648 559249036 /nfs/dbraw/zinc/24/90/36/559249036.db2.gz HGCWNMWVPWSWCL-MBOPZJHMSA-N 0 0 405.516 4.336 50 30 HIEARN CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3C#N)C(=O)[C@@H]12 ZINC000005186456 559289600 /nfs/dbraw/zinc/28/96/00/559289600.db2.gz GSRCISJQAVNUPA-XWYWGPMTSA-N 0 0 404.469 4.303 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)c2)ccc1O ZINC000005446403 560202147 /nfs/dbraw/zinc/20/21/47/560202147.db2.gz CPHZVLHSTZSKKX-QFIPXVFZSA-N 0 0 415.445 4.492 50 30 biogenic,in-vitro HIEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(Br)cc2)S1)c1ccccc1 ZINC000005214328 560542776 /nfs/dbraw/zinc/54/27/76/560542776.db2.gz TZBFKCQJZQMBGZ-GKXUUXLPSA-N 0 0 402.317 4.003 50 30 HIEARN COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(C#N)cc3)sc2c1 ZINC000005265116 560553412 /nfs/dbraw/zinc/55/34/12/560553412.db2.gz MORWQYQKOLEYPQ-UHFFFAOYSA-N 0 0 400.463 4.419 50 30 HIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000005347461 560570651 /nfs/dbraw/zinc/57/06/51/560570651.db2.gz MNMFMNWMGBECNG-LJQANCHMSA-N 0 0 412.424 4.462 50 30 HIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(F)cc4)nc3c2[C@@H]1c1ccccc1 ZINC000005347463 560570676 /nfs/dbraw/zinc/57/06/76/560570676.db2.gz VZBBKTGCCZMOGA-LJQANCHMSA-N 0 0 400.413 4.318 50 30 HIEARN C=CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000005348946 560571107 /nfs/dbraw/zinc/57/11/07/560571107.db2.gz SAKDIGXRYYLCNO-UHFFFAOYSA-N 0 0 410.470 4.031 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC(C)C)ccc1O ZINC000005408131 560583512 /nfs/dbraw/zinc/58/35/12/560583512.db2.gz VMUHQUVORUTNKF-IBGZPJMESA-N 0 0 415.873 4.289 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC(C)C)cc1OC ZINC000005409024 560583750 /nfs/dbraw/zinc/58/37/50/560583750.db2.gz QBZICVFSTIWOLR-OAQYLSRUSA-N 0 0 409.482 4.247 50 30 HIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C)s2)c1 ZINC000003560800 560596574 /nfs/dbraw/zinc/59/65/74/560596574.db2.gz QBXOKYOLILXLGX-UHFFFAOYSA-N 0 0 413.524 4.085 50 30 HIEARN COc1ccc2[nH]c(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)nc2c1 ZINC000004252318 560603594 /nfs/dbraw/zinc/60/35/94/560603594.db2.gz YABALCOOTDQERD-LLVKDONJSA-N 0 0 412.540 4.360 50 30 HIEARN CCC(=O)NC1=C(Nc2ccc(SC(F)F)cc2)C(=O)c2ccccc2C1=O ZINC000005523917 560604689 /nfs/dbraw/zinc/60/46/89/560604689.db2.gz KCAARAHZCSDMPN-UHFFFAOYSA-N 0 0 402.422 4.230 50 30 HIEARN CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)o2)cc1 ZINC000005540607 560607288 /nfs/dbraw/zinc/60/72/88/560607288.db2.gz DAWWMOUDKMOQSD-OAHLLOKOSA-N 0 0 402.406 4.205 50 30 HIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000002868242 560732225 /nfs/dbraw/zinc/73/22/25/560732225.db2.gz YXKRIWUNVZQGAU-OAHLLOKOSA-N 0 0 423.498 4.156 50 30 HIEARN C=CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1cccc(F)c1 ZINC000004736321 560736162 /nfs/dbraw/zinc/73/61/62/560736162.db2.gz HCBYPPZCCGQPMT-UHFFFAOYSA-N 0 0 403.508 4.074 50 30 HIEARN C#CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)/C=C/c1ccccc1Cl ZINC000100875846 560761650 /nfs/dbraw/zinc/76/16/50/560761650.db2.gz BONMHYRGKNZRJZ-WRLFMOQESA-N 0 0 409.898 4.089 50 30 HIEARN CC(C)c1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 ZINC000101062551 560768812 /nfs/dbraw/zinc/76/88/12/560768812.db2.gz PCVKLNPVLMKGHP-GROYHEBESA-N 0 0 400.272 4.282 50 30 HIEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000018158569 560780176 /nfs/dbraw/zinc/78/01/76/560780176.db2.gz QWWMHXGQMRSADX-HXUWFJFHSA-N 0 0 404.422 4.083 50 30 HIEARN O=c1[nH][nH]c2c1[C@@H](c1cc(Cl)ccc1O)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196319 560782597 /nfs/dbraw/zinc/78/25/97/560782597.db2.gz MTTDNTDKQWWVOC-FVMDXXJSSA-N 0 0 413.886 4.494 50 30 HIEARN CN(C)c1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1 ZINC000018196519 560782718 /nfs/dbraw/zinc/78/27/18/560782718.db2.gz AGPRNUJEBNNVRO-UGSOOPFHSA-N 0 0 406.511 4.201 50 30 HIEARN COc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)c(OC)c1OC ZINC000018196822 560782721 /nfs/dbraw/zinc/78/27/21/560782721.db2.gz WFMUXIGREVPQJT-HXUWFJFHSA-N 0 0 409.438 4.006 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000005690643 560785882 /nfs/dbraw/zinc/78/58/82/560785882.db2.gz KAMILXCMBMDGQG-RBBKRZOGSA-N 0 0 421.493 4.015 50 30 HIEARN COc1ccc([C@H]2c3c(=N)n(CC(C)C)cnc3OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000101176021 560788006 /nfs/dbraw/zinc/78/80/06/560788006.db2.gz RFDXFKMFQJSIIQ-LJQANCHMSA-N 0 0 407.514 4.195 50 30 HIEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101284740 560790627 /nfs/dbraw/zinc/79/06/27/560790627.db2.gz NFRRPFPXYRLTRX-IBGZPJMESA-N 0 0 413.478 4.379 50 30 HIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101285001 560790640 /nfs/dbraw/zinc/79/06/40/560790640.db2.gz QAJBFUYLJOZQKG-HXUWFJFHSA-N 0 0 414.506 4.098 50 30 HIEARN CCOc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCCCO4)cc1 ZINC000101371217 560793059 /nfs/dbraw/zinc/79/30/59/560793059.db2.gz DOFZPKZRVVDDJC-UHFFFAOYSA-N 0 0 413.477 4.289 50 30 HIEARN COc1ccc(CCN2C(N)=C(c3nc4ccccc4[nH]3)C(=O)[C@H]2c2ccccc2)cc1 ZINC000102222761 560809064 /nfs/dbraw/zinc/80/90/64/560809064.db2.gz GUDSSFQTRXCHAT-HSZRJFAPSA-N 0 0 424.504 4.068 50 30 HIEARN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000102401943 560810697 /nfs/dbraw/zinc/81/06/97/560810697.db2.gz CWLIPUQOONQPCG-CDDRTKSISA-N 0 0 411.523 4.472 50 30 HIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102534715 560813665 /nfs/dbraw/zinc/81/36/65/560813665.db2.gz UQLLZIZUNJSCIN-SQMUXHPUSA-N 0 0 415.848 4.080 50 30 HIEARN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccco3)ccc2O1 ZINC000102735402 560822857 /nfs/dbraw/zinc/82/28/57/560822857.db2.gz MRLZDWLIWGYDFI-CBLITQMPSA-N 0 0 415.445 4.225 50 30 HIEARN CN=C(Nc1cc(Cl)cc(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000102845474 560829902 /nfs/dbraw/zinc/82/99/02/560829902.db2.gz SKHJJRMPSLMBBR-OAHLLOKOSA-N 0 0 408.310 4.266 50 30 HIEARN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000102872413 560830179 /nfs/dbraw/zinc/83/01/79/560830179.db2.gz DFFBZGPOVFGPER-MRJHHRETSA-N 0 0 403.434 4.219 50 30 HIEARN CCc1cccc(NC(=NC(=O)c2ccc(NC(C)=O)cc2)NCc2ccncc2)c1 ZINC000045939752 568421671 /nfs/dbraw/zinc/42/16/71/568421671.db2.gz UJRSCMKDGHRVFW-UHFFFAOYSA-N 0 0 415.497 4.001 50 30 HIEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccc2c(c1)OCO2)NCc1ccccn1 ZINC000046125273 568428451 /nfs/dbraw/zinc/42/84/51/568428451.db2.gz FODRCCGQQUMWJL-UHFFFAOYSA-N 0 0 422.872 4.170 50 30 HIEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(Cl)c2C)c1 ZINC000046125656 568428488 /nfs/dbraw/zinc/42/84/88/568428488.db2.gz FTDQYQNRFXZREG-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccc(C)cc1)NCc1ccccn1 ZINC000046125591 568428535 /nfs/dbraw/zinc/42/85/35/568428535.db2.gz WBPVCAQSHWTEJK-UHFFFAOYSA-N 0 0 408.889 4.450 50 30 HIEARN CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(C)cc2)NCCN2CCOCC2)cc1 ZINC000046140707 568430008 /nfs/dbraw/zinc/43/00/08/568430008.db2.gz WJMVPTOXJYBJGI-FQEVSTJZSA-N 0 0 422.573 4.039 50 30 HIEARN COc1ccc(N2C(=O)[C@H](Oc3cccc(C#N)c3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000048324974 568438349 /nfs/dbraw/zinc/43/83/49/568438349.db2.gz IBWJODXSBJOKOW-XZOQPEGZSA-N 0 0 400.434 4.111 50 30 HIEARN COc1ccc([C@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000048342348 568440549 /nfs/dbraw/zinc/44/05/49/568440549.db2.gz CCJCQDZWVOJMQP-GOTSBHOMSA-N 0 0 400.434 4.111 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000002777244 568459680 /nfs/dbraw/zinc/45/96/80/568459680.db2.gz GFMJGHGTSPDEDN-UYRXBGFRSA-N 0 0 408.479 4.235 50 30 HIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c(OC)c1 ZINC000012322907 568471198 /nfs/dbraw/zinc/47/11/98/568471198.db2.gz MIPUWJARNBMVMA-JEOXALJRSA-N 0 0 424.482 4.128 50 30 HIEARN N#Cc1ccc(-c2ccncc2)nc1SCC(=O)Nc1nc2ccccc2s1 ZINC000000756952 568472492 /nfs/dbraw/zinc/47/24/92/568472492.db2.gz DXOZDEFGHRKYFH-UHFFFAOYSA-N 0 0 403.492 4.356 50 30 HIEARN Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1 ZINC000000781748 568475083 /nfs/dbraw/zinc/47/50/83/568475083.db2.gz YGHWIYWMVANLBP-UHFFFAOYSA-N 0 0 405.479 4.151 50 30 HIEARN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000024915156 568483904 /nfs/dbraw/zinc/48/39/04/568483904.db2.gz KVBNPABQEMBQFI-AWEZNQCLSA-N 0 0 405.527 4.068 50 30 HIEARN N#Cc1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1-c1cccnc1)CCC2 ZINC000000803924 568485800 /nfs/dbraw/zinc/48/58/00/568485800.db2.gz WOVUBQLPQLVMON-UHFFFAOYSA-N 0 0 404.470 4.374 50 30 HIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3nc4nc(C)cc(C(F)F)n4n3)sc2C1 ZINC000000815220 568490084 /nfs/dbraw/zinc/49/00/84/568490084.db2.gz DCIPGNMYCBPDSH-JTQLQIEISA-N 0 0 416.457 4.071 50 30 HIEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000002860787 568509206 /nfs/dbraw/zinc/50/92/06/568509206.db2.gz DSGUQIRLLQULJC-UHFFFAOYSA-N 0 0 421.551 4.395 50 30 HIEARN C=CCN(CC=C)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1C ZINC000002826472 568510053 /nfs/dbraw/zinc/51/00/53/568510053.db2.gz DJJSOGDWEALJLW-UHFFFAOYSA-N 0 0 400.482 4.247 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nc2sc(CC)cc2c1=O ZINC000002848572 568510722 /nfs/dbraw/zinc/51/07/22/568510722.db2.gz QFVHSZATWJZPCY-UHFFFAOYSA-N 0 0 403.504 4.076 50 30 HIEARN CCCCOc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1 ZINC000020112759 568588609 /nfs/dbraw/zinc/58/86/09/568588609.db2.gz BYFUYEWBSXPNFZ-DHZHZOJOSA-N 0 0 423.509 4.487 50 30 HIEARN CC(C)N1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000020115308 568589511 /nfs/dbraw/zinc/58/95/11/568589511.db2.gz CDFXQSXSQKNXPZ-MXYCIJPUSA-N 0 0 407.426 4.263 50 30 HIEARN C=CCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(C)cc3)C2=O)cc1OC ZINC000002929424 568606623 /nfs/dbraw/zinc/60/66/23/568606623.db2.gz PMSMYHJANHUMRM-BKUYFWCQSA-N 0 0 423.490 4.488 50 30 HIEARN COc1cccc(Nc2nc(-n3nc(C)cc3C)c3c(c2C#N)CC(C)(C)OC3)c1 ZINC000095475010 568629746 /nfs/dbraw/zinc/62/97/46/568629746.db2.gz RKOJEMLGWJFJGS-UHFFFAOYSA-N 0 0 403.486 4.359 50 30 HIEARN CCCCc1nc(NCCNC(=O)c2cccs2)c(C#N)c2c1COC(C)(C)C2 ZINC000095478573 568631647 /nfs/dbraw/zinc/63/16/47/568631647.db2.gz JJBUBVWGJWCXMM-UHFFFAOYSA-N 0 0 412.559 4.051 50 30 HIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccc(OC)c1 ZINC000225509446 568644886 /nfs/dbraw/zinc/64/48/86/568644886.db2.gz GLUPCKMNGBAEEO-REWPJTCUSA-N 0 0 410.466 4.032 50 30 HIEARN N#Cc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2ncccc2o1 ZINC000096279070 568717196 /nfs/dbraw/zinc/71/71/96/568717196.db2.gz XALULVKPTYBDIU-UHFFFAOYSA-N 0 0 411.826 4.183 50 30 HIEARN Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)o2)cc1 ZINC000012418241 568718792 /nfs/dbraw/zinc/71/87/92/568718792.db2.gz MMWSJCVDMFSTBW-UHFFFAOYSA-N 0 0 406.873 4.138 50 30 HIEARN N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012418805 568719204 /nfs/dbraw/zinc/71/92/04/568719204.db2.gz NZFBXPFBNMRDFW-BQYQJAHWSA-N 0 0 424.913 4.394 50 30 HIEARN CC(C)c1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 ZINC000005799207 568734819 /nfs/dbraw/zinc/73/48/19/568734819.db2.gz REDNTXZNCKOWJM-KRWDZBQOSA-N 0 0 400.272 4.438 50 30 HIEARN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000005799638 568734961 /nfs/dbraw/zinc/73/49/61/568734961.db2.gz BVYPIOPCBYPIKT-HXUWFJFHSA-N 0 0 404.422 4.165 50 30 HIEARN CC/N=C1\S/C(=C\c2cn(C(=O)CC)nc2-c2ccc(F)cc2)C(=O)N1CC ZINC000000970299 568759201 /nfs/dbraw/zinc/75/92/01/568759201.db2.gz USOOYURVMDWAKE-OXRKSLHJSA-N 0 0 400.479 4.052 50 30 HIEARN COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(O)c(Cl)c3)C(=O)N2C)cc1 ZINC000001012335 568763117 /nfs/dbraw/zinc/76/31/17/568763117.db2.gz QWFDHKLGSTWZLX-PMDYYOJLSA-N 0 0 402.859 4.066 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccco1 ZINC000001069817 568766942 /nfs/dbraw/zinc/76/69/42/568766942.db2.gz ZAFZSIXCRNVMQB-UHFFFAOYSA-N 0 0 408.405 4.474 50 30 HIEARN Brc1csc(/C=N\c2ccc3c(c2)OCCOCCOCCO3)c1 ZINC000002499627 568769801 /nfs/dbraw/zinc/76/98/01/568769801.db2.gz UTSTURAQVRMEQN-ODLFYWEKSA-N 0 0 412.305 4.066 50 30 HIEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000002623924 568788639 /nfs/dbraw/zinc/78/86/39/568788639.db2.gz RSLCPOVDGFBXBV-UHFFFAOYSA-N 0 0 415.478 4.189 50 30 HIEARN C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000002646478 568795204 /nfs/dbraw/zinc/79/52/04/568795204.db2.gz GXADLRJKLFHSND-KRWDZBQOSA-N 0 0 416.433 4.300 50 30 HIEARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C#N)c3)c2)cc1 ZINC000002657635 568798161 /nfs/dbraw/zinc/79/81/61/568798161.db2.gz RXTQASKWEJXAAB-UHFFFAOYSA-N 0 0 405.479 4.228 50 30 HIEARN Cc1nn(CCC(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1Br ZINC000002792256 568809353 /nfs/dbraw/zinc/80/93/53/568809353.db2.gz YATRASIIMRJOIE-UHFFFAOYSA-N 0 0 407.337 4.103 50 30 HIEARN N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000029072318 568817808 /nfs/dbraw/zinc/81/78/08/568817808.db2.gz MCIQFFYNBJYXPL-QGZVFWFLSA-N 0 0 424.551 4.393 50 30 HIEARN CC[C@H](C)[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C(=O)c2ccccc2C1=O ZINC000001196823 568822615 /nfs/dbraw/zinc/82/26/15/568822615.db2.gz JLKZSNDEWBYHLO-DJJJIMSYSA-N 0 0 421.522 4.148 50 30 HIEARN CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000001889168 568839216 /nfs/dbraw/zinc/83/92/16/568839216.db2.gz QYAUQFCPNCQIAM-MRCUWXFGSA-N 0 0 418.493 4.038 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2N2CCCC2)nnc1-c1ccoc1C ZINC000012564498 568859672 /nfs/dbraw/zinc/85/96/72/568859672.db2.gz WWVWDZFPWLLDJV-UHFFFAOYSA-N 0 0 423.542 4.364 50 30 HIEARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)SC1=S ZINC000003570248 568862505 /nfs/dbraw/zinc/86/25/05/568862505.db2.gz ZUWMGJFOMZZULA-WJDWOHSUSA-N 0 0 417.533 4.363 50 30 HIEARN C=CCOc1ccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 ZINC000003649248 568866127 /nfs/dbraw/zinc/86/61/27/568866127.db2.gz OIGZCOAKRUBYBF-ZHZULCJRSA-N 0 0 403.507 4.054 50 30 HIEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(C)c(C)c3)S2)c1 ZINC000057999360 568873556 /nfs/dbraw/zinc/87/35/56/568873556.db2.gz HSKCYUWMNBVJQN-DRGFOCDESA-N 0 0 411.527 4.292 50 30 HIEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2sc(C)c(C)c2c1=O ZINC000003317956 568879678 /nfs/dbraw/zinc/87/96/78/568879678.db2.gz VASHNTMCCQIDCM-IUODEOHRSA-N 0 0 405.589 4.048 50 30 HIEARN CCOC(=O)c1ccc([N-][NH+]=Cc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004063120 568881795 /nfs/dbraw/zinc/88/17/95/568881795.db2.gz OJRXWPNSYMKVBF-HZHRSRAPSA-N 0 0 410.474 4.454 50 30 HIEARN N#Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)c3ccccc3F)CC2)nc1 ZINC000058061853 568881898 /nfs/dbraw/zinc/88/18/98/568881898.db2.gz CLCPNQUJAJQTGH-UHFFFAOYSA-N 0 0 404.445 4.135 50 30 HIEARN C=CCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004074113 568882566 /nfs/dbraw/zinc/88/25/66/568882566.db2.gz OMCAHGFOGWXCSS-XDHUDOTRSA-N 0 0 419.912 4.039 50 30 biogenic HIEARN C=CCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004074114 568882578 /nfs/dbraw/zinc/88/25/78/568882578.db2.gz OMCAHGFOGWXCSS-OSPHWJPCSA-N 0 0 419.912 4.039 50 30 biogenic HIEARN C=CCn1c(SCc2ccc(Br)cc2F)nnc1-c1cnccn1 ZINC000003355718 568886729 /nfs/dbraw/zinc/88/67/29/568886729.db2.gz QRVCIGMBOMBAKG-UHFFFAOYSA-N 0 0 406.284 4.115 50 30 HIEARN C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nc2sc(CC)cc2c1=O ZINC000003379975 568892251 /nfs/dbraw/zinc/89/22/51/568892251.db2.gz HPCGJGUKXBLJRU-UHFFFAOYSA-N 0 0 404.513 4.187 50 30 HIEARN C=CCOc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000058151540 568892827 /nfs/dbraw/zinc/89/28/27/568892827.db2.gz TYZQBUAERUAJAC-UHFFFAOYSA-N 0 0 415.921 4.405 50 30 HIEARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000004444792 568917465 /nfs/dbraw/zinc/91/74/65/568917465.db2.gz YXMZAKQMUVDZDV-UHFFFAOYSA-N 0 0 417.465 4.371 50 30 HIEARN COc1cccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)c1OC ZINC000217999345 568922433 /nfs/dbraw/zinc/92/24/33/568922433.db2.gz XBLSMUBYVPEZFK-MXDDHBLUSA-N 0 0 418.401 4.354 50 30 HIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004004710 568933059 /nfs/dbraw/zinc/93/30/59/568933059.db2.gz GGIPIZZLMZDVBP-HJOGWXRNSA-N 0 0 422.481 4.302 50 30 HIEARN CCOc1cc([C@@H]2C3C(=O)CCCC3=Nc3nc(-c4ccccc4)nn32)ccc1O ZINC000004106343 568943200 /nfs/dbraw/zinc/94/32/00/568943200.db2.gz CNJRSLQAOVWEBM-OAQYLSRUSA-N 0 0 402.454 4.071 50 30 HIEARN N#Cc1ccccc1NC(=O)CCn1cnc2scc(-c3ccccc3)c2c1=O ZINC000012762000 568946338 /nfs/dbraw/zinc/94/63/38/568946338.db2.gz OQZQSDXEFHTFFB-UHFFFAOYSA-N 0 0 400.463 4.025 50 30 HIEARN CC1(C)CC(=O)C(C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)C(=O)C1 ZINC000004148855 568946811 /nfs/dbraw/zinc/94/68/11/568946811.db2.gz YBWUTTVDJLCSPC-UHFFFAOYSA-N 0 0 409.326 4.481 50 30 HIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 ZINC000004168140 568948108 /nfs/dbraw/zinc/94/81/08/568948108.db2.gz FVYQFIAJFNDURQ-QFIPXVFZSA-N 0 0 406.457 4.441 50 30 HIEARN COc1ccc(/C(C)=N\OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000004204832 568951748 /nfs/dbraw/zinc/95/17/48/568951748.db2.gz OFWRUJDHOWVTBL-MXAYSNPKSA-N 0 0 407.499 4.167 50 30 HIEARN COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2cccc(C)c2)C2C(=O)CCCC2=N3)c1 ZINC000004279849 568958601 /nfs/dbraw/zinc/95/86/01/568958601.db2.gz PPKWZSIAOXQGPA-JOCHJYFZSA-N 0 0 416.481 4.293 50 30 HIEARN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1)c1ccccc1 ZINC000004312744 568961341 /nfs/dbraw/zinc/96/13/41/568961341.db2.gz OUUPSQVMZIDSRY-FQEVSTJZSA-N 0 0 400.390 4.378 50 30 HIEARN C=CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2ncnn21 ZINC000004736953 568964051 /nfs/dbraw/zinc/96/40/51/568964051.db2.gz HSAKCCCIDBNIFQ-NRFANRHFSA-N 0 0 401.470 4.079 50 30 HIEARN COc1ccc2[nH]c(SCC#CCSc3nc4cc(OC)ccc4[nH]3)nc2c1 ZINC000005728365 568965787 /nfs/dbraw/zinc/96/57/87/568965787.db2.gz LDFBUHCZSRJYQG-UHFFFAOYSA-N 0 0 410.524 4.344 50 30 HIEARN C=CCSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 ZINC000008397000 568978600 /nfs/dbraw/zinc/97/86/00/568978600.db2.gz YFYMBFMMDZBBQK-HXUWFJFHSA-N 0 0 423.885 4.080 50 30 HIEARN O=C(N/C(=N/c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000015729147 568979581 /nfs/dbraw/zinc/97/95/81/568979581.db2.gz KMGNCVYDSSGDKM-UHFFFAOYSA-N 0 0 402.473 4.065 50 30 HIEARN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000012343880 568994553 /nfs/dbraw/zinc/99/45/53/568994553.db2.gz LWAANLWDTJVACA-ODLFYWEKSA-N 0 0 411.504 4.382 50 30 HIEARN N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000038490257 568997692 /nfs/dbraw/zinc/99/76/92/568997692.db2.gz VPGKJVVPHYQPFR-UHFFFAOYSA-N 0 0 419.868 4.046 50 30 HIEARN N#Cc1ccccc1CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 ZINC000008394530 568998973 /nfs/dbraw/zinc/99/89/73/568998973.db2.gz UUHQZZLSQHZYFZ-UHFFFAOYSA-N 0 0 413.524 4.166 50 30 HIEARN C=CCn1c(SCc2ncc(Cl)n2C)nc2sc3c(c2c1=O)CCCC3 ZINC000014758049 569003550 /nfs/dbraw/zinc/00/35/50/569003550.db2.gz NBSQNIODCWNYMB-UHFFFAOYSA-N 0 0 406.964 4.202 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2OC)SC1=S ZINC000015016609 569004464 /nfs/dbraw/zinc/00/44/64/569004464.db2.gz ZGBPNYNGMFGXSC-WDZFZDKYSA-N 0 0 404.738 4.498 50 30 HIEARN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CC)C2=O)cc1OCC ZINC000016681427 569005403 /nfs/dbraw/zinc/00/54/03/569005403.db2.gz GGBGMMWAKBIUCF-UVTDQMKNSA-N 0 0 412.305 4.469 50 30 HIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccncc1 ZINC000016726031 569005440 /nfs/dbraw/zinc/00/54/40/569005440.db2.gz WMXKHPTZKWEUTO-LBPRGKRZSA-N 0 0 417.897 4.438 50 30 HIEARN C=C(C)Cn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1ccncc1 ZINC000016807850 569005454 /nfs/dbraw/zinc/00/54/54/569005454.db2.gz HPHUKMKOSAAQBV-UHFFFAOYSA-N 0 0 409.515 4.046 50 30 HIEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)NC1=S ZINC000000681104 569005937 /nfs/dbraw/zinc/00/59/37/569005937.db2.gz FUKDLIIPDRNNAX-DEDYPNTBSA-N 0 0 407.539 4.030 50 30 HIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2sc(C)cc2c1=O ZINC000000641582 569005943 /nfs/dbraw/zinc/00/59/43/569005943.db2.gz MWPRHZJSNLLUAR-UHFFFAOYSA-N 0 0 415.540 4.000 50 30 HIEARN C=CCn1c2ccccc2c2nnc(SCC(=O)N[C@H](C)c3ccccc3)nc21 ZINC000000856941 569006090 /nfs/dbraw/zinc/00/60/90/569006090.db2.gz LDIVQUONBUTDFJ-OAHLLOKOSA-N 0 0 403.511 4.135 50 30 HIEARN C=CCn1c(SCC(=O)N(CC)CC)nc2sc(-c3ccccc3)cc2c1=O ZINC000000952965 569006145 /nfs/dbraw/zinc/00/61/45/569006145.db2.gz QYFNCMWLAAQEFT-UHFFFAOYSA-N 0 0 413.568 4.272 50 30 HIEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)cc1F ZINC000002217265 569007057 /nfs/dbraw/zinc/00/70/57/569007057.db2.gz LKINCZKFHDJNFA-UHFFFAOYSA-N 0 0 406.483 4.125 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000002447557 569007378 /nfs/dbraw/zinc/00/73/78/569007378.db2.gz FFUHIMIFPYQMQC-UHFFFAOYSA-N 0 0 424.526 4.091 50 30 HIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000002449414 569007394 /nfs/dbraw/zinc/00/73/94/569007394.db2.gz JRYBMZFYQKBXTE-UHFFFAOYSA-N 0 0 408.527 4.391 50 30 HIEARN COc1ccc(-n2c(S[C@H](C)C#N)nc3sc4c(c3c2=O)CCCS4)cc1 ZINC000012857691 569011214 /nfs/dbraw/zinc/01/12/14/569011214.db2.gz LAMPGSVUNWXPIX-LLVKDONJSA-N 0 0 415.565 4.498 50 30 HIEARN CCNC(=S)N=NCc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000006132250 569014162 /nfs/dbraw/zinc/01/41/62/569014162.db2.gz YPQWGCJDTKHDTH-NHDPSOOVSA-N 0 0 422.348 4.266 50 30 HIEARN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)NCc1ccccc1 ZINC000017093231 569016957 /nfs/dbraw/zinc/01/69/57/569016957.db2.gz KZBYYGYFWHGZJU-UHFFFAOYSA-N 0 0 422.554 4.068 50 30 HIEARN C=CCn1c(CCCOc2ccc(Cl)cc2C)nnc1SCC(=O)OCC ZINC000017088381 569016979 /nfs/dbraw/zinc/01/69/79/569016979.db2.gz WGKDNXRJBXTFBH-UHFFFAOYSA-N 0 0 409.939 4.093 50 30 HIEARN CC(C)(C)[C@](O)(CC#CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000019972544 569018607 /nfs/dbraw/zinc/01/86/07/569018607.db2.gz DIEVNKLYLIIXGU-VWLOTQADSA-N 0 0 421.541 4.044 50 30 HIEARN C=CCNC(=O)[C@@H](C)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1OC ZINC000012925787 569023724 /nfs/dbraw/zinc/02/37/24/569023724.db2.gz ZZONTPGPMOHZQQ-MRXNPFEDSA-N 0 0 404.466 4.170 50 30 HIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006294649 569038213 /nfs/dbraw/zinc/03/82/13/569038213.db2.gz XECGWIOWCYSDCF-HXUWFJFHSA-N 0 0 406.413 4.467 50 30 HIEARN Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1nc3ccccc3[nH]1)[C@H]1CCCCN21 ZINC000102410248 569039548 /nfs/dbraw/zinc/03/95/48/569039548.db2.gz WLMYTEBZMUDKGB-RDGATRHJSA-N 0 0 408.509 4.434 50 30 HIEARN Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(C#N)cc3)ccc2n1-c1ccccc1 ZINC000006315387 569040257 /nfs/dbraw/zinc/04/02/57/569040257.db2.gz KZIMZDSVBHIQTJ-UHFFFAOYSA-N 0 0 410.433 4.001 50 30 aggregator HIEARN CC(C)c1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCOCC2)cc1 ZINC000035672733 569048643 /nfs/dbraw/zinc/04/86/43/569048643.db2.gz HWVWLPMPMABMHV-JOCHJYFZSA-N 0 0 417.513 4.217 50 30 HIEARN CC(=O)/C(=N\Nc1cccc(Cl)c1C)Sc1nnnn1-c1ccc(C)cc1 ZINC000001808091 569053575 /nfs/dbraw/zinc/05/35/75/569053575.db2.gz FHJCEVTURHGOHG-HEHNFIMWSA-N 0 0 400.895 4.039 50 30 HIEARN COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCC(=O)NC2CCCC2)cc1 ZINC000089429297 569060374 /nfs/dbraw/zinc/06/03/74/569060374.db2.gz FCUQEVFVLDWQOG-UHFFFAOYSA-N 0 0 407.470 4.137 50 30 HIEARN COc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)c1 ZINC000064473904 569063623 /nfs/dbraw/zinc/06/36/23/569063623.db2.gz HUJKYJWQWHDKDU-UHFFFAOYSA-N 0 0 400.482 4.279 50 30 HIEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCc5ccccc5C4)CC3)c2c1 ZINC000064473845 569063857 /nfs/dbraw/zinc/06/38/57/569063857.db2.gz OSGRWIUVXRBNFC-UHFFFAOYSA-N 0 0 410.521 4.216 50 30 HIEARN CC(C)Cn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1F ZINC000006538054 569064492 /nfs/dbraw/zinc/06/44/92/569064492.db2.gz NDRMNUSSIXFPAC-UHFFFAOYSA-N 0 0 409.490 4.343 50 30 HIEARN N#CCn1c(CSc2nc3ccccc3[nH]2)nc2sc3c(c2c1=O)CCCC3 ZINC000006648835 569081253 /nfs/dbraw/zinc/08/12/53/569081253.db2.gz MYNRGXQWNPUEQG-UHFFFAOYSA-N 0 0 407.524 4.029 50 30 HIEARN C=CCOC(=O)c1c2cc(C)ccc2nc2c1CN(C(=O)c1ccc(OC)cc1)CC2 ZINC000064754537 569089649 /nfs/dbraw/zinc/08/96/49/569089649.db2.gz BHDUUWWNKJBWMK-UHFFFAOYSA-N 0 0 416.477 4.093 50 30 HIEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1cccc(O)c1 ZINC000064775604 569093566 /nfs/dbraw/zinc/09/35/66/569093566.db2.gz GIYYCSUQKJQYKM-JOCHJYFZSA-N 0 0 414.465 4.171 50 30 HIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1 ZINC000006780859 569120417 /nfs/dbraw/zinc/12/04/17/569120417.db2.gz QTTDZEYRRLKHLY-JOCHJYFZSA-N 0 0 412.445 4.429 50 30 HIEARN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006781937 569120492 /nfs/dbraw/zinc/12/04/92/569120492.db2.gz NFPJVFULVVBNGA-OAQYLSRUSA-N 0 0 418.449 4.240 50 30 HIEARN COC(=O)c1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 ZINC000006819517 569139211 /nfs/dbraw/zinc/13/92/11/569139211.db2.gz XCUAMRSWBNLVNZ-DOTOQJQBSA-N 0 0 409.869 4.131 50 30 HIEARN C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nnc1C1CCCCC1 ZINC000006851095 569154501 /nfs/dbraw/zinc/15/45/01/569154501.db2.gz OVMNWELVJFJHRA-UHFFFAOYSA-N 0 0 418.588 4.184 50 30 HIEARN CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1cc(Cl)ccc1C ZINC000006882045 569168175 /nfs/dbraw/zinc/16/81/75/569168175.db2.gz XOVVLKYECKHIHR-UHFFFAOYSA-N 0 0 419.312 4.073 50 30 HIEARN C=CCc1ccccc1OCCSc1nc(-c2ccc(C)cc2)nc2cc(=O)[nH]n21 ZINC000006915728 569181102 /nfs/dbraw/zinc/18/11/02/569181102.db2.gz RZCYUWYORNSYOW-UHFFFAOYSA-N 0 0 418.522 4.293 50 30 HIEARN C=CCn1c(SCc2cccc(S(=O)(=O)N(C)C)c2)nnc1C1CCCCC1 ZINC000006940593 569185668 /nfs/dbraw/zinc/18/56/68/569185668.db2.gz GGXLRRVIWGSMCL-UHFFFAOYSA-N 0 0 420.604 4.054 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000007130872 569225331 /nfs/dbraw/zinc/22/53/31/569225331.db2.gz RBGVQGZNNOUQAA-UVARLRKDSA-N 0 0 418.588 4.458 50 30 HIEARN C[C@@H](C#N)CSc1ccccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000065453259 569230480 /nfs/dbraw/zinc/23/04/80/569230480.db2.gz WXAKCWFITUWEFR-INIZCTEOSA-N 0 0 405.527 4.060 50 30 HIEARN N#CN=C(Nc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccccc2Cl)C1=O ZINC000013574504 569256145 /nfs/dbraw/zinc/25/61/45/569256145.db2.gz FCGSUMSDJMCHMY-HNNXBMFYSA-N 0 0 419.293 4.117 50 30 HIEARN C#CCn1c2ccc(Br)cc2s/c1=N\C(=O)/C=C/c1cccs1 ZINC000016890199 569266790 /nfs/dbraw/zinc/26/67/90/569266790.db2.gz HYKFVVKUUJOOGS-MGXKBMBFSA-N 0 0 403.326 4.301 50 30 HIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000016973090 569269629 /nfs/dbraw/zinc/26/96/29/569269629.db2.gz KORSRGSVPLWDNL-HXUWFJFHSA-N 0 0 415.405 4.081 50 30 HIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)cc1 ZINC000017058551 569272784 /nfs/dbraw/zinc/27/27/84/569272784.db2.gz VRUXOWSFAQWOLL-FQEVSTJZSA-N 0 0 404.422 4.165 50 30 HIEARN COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000017160775 569275978 /nfs/dbraw/zinc/27/59/78/569275978.db2.gz MSTCQTKEHYPMBB-NRFANRHFSA-N 0 0 419.433 4.081 50 30 HIEARN C=CCN1CC(=O)N2[C@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002096275 569280984 /nfs/dbraw/zinc/28/09/84/569280984.db2.gz IYAOGRVLVMBETK-WIOPSUGQSA-N 0 0 413.521 4.162 50 30 biogenic HIEARN C=CCc1cc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)cc(OC)c1O ZINC000139485727 569298303 /nfs/dbraw/zinc/29/83/03/569298303.db2.gz YTWMVKAQIIWRMP-YVLHZVERSA-N 0 0 414.914 4.041 50 30 HIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1ccc(C(C)=O)cc1 ZINC000252616879 569301547 /nfs/dbraw/zinc/30/15/47/569301547.db2.gz KHRNOUZOQYWBMG-HXUWFJFHSA-N 0 0 423.538 4.486 50 30 HIEARN Cc1ccc(N=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)c(O)c1 ZINC000252617106 569301597 /nfs/dbraw/zinc/30/15/97/569301597.db2.gz KMKDFOIGYRJBMT-UHFFFAOYSA-N 0 0 421.365 4.487 50 30 HIEARN N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000007737873 569305629 /nfs/dbraw/zinc/30/56/29/569305629.db2.gz SZWNJYSAKUYXIY-UHFFFAOYSA-N 0 0 414.505 4.323 50 30 HIEARN CC(=O)N=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1c1ccc(F)cc1 ZINC000252624453 569309684 /nfs/dbraw/zinc/30/96/84/569309684.db2.gz POEYUWSYQSUSCD-KHLZLKPOSA-N 0 0 418.833 4.231 50 30 HIEARN O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)S/C1=C/c1ccccc1[N+](=O)[O-] ZINC000252628697 569311326 /nfs/dbraw/zinc/31/13/26/569311326.db2.gz SVURYUCWILXNAZ-OPXSVQQPSA-N 0 0 421.265 4.496 50 30 HIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)SC1=Nc1cc([N+](=O)[O-])ccc1C ZINC000252629481 569311499 /nfs/dbraw/zinc/31/14/99/569311499.db2.gz UGXNKMZWAPYSES-SFHVURJKSA-N 0 0 424.482 4.050 50 30 HIEARN C=C(C)CSc1nc2ccc(I)cc2c(=O)n1CC(=C)C ZINC000002224071 569313445 /nfs/dbraw/zinc/31/34/45/569313445.db2.gz ZAJSOWCWPGDLJP-UHFFFAOYSA-N 0 0 412.296 4.245 50 30 HIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000252637840 569317469 /nfs/dbraw/zinc/31/74/69/569317469.db2.gz XXIAUQLGBJCRQD-INIZCTEOSA-N 0 0 405.882 4.459 50 30 HIEARN CCCCCCNC(=O)c1c(N)n(/N=C/c2ccccc2)c2nc3ccccc3nc21 ZINC000002252951 569324632 /nfs/dbraw/zinc/32/46/32/569324632.db2.gz XAAYLUHAZQUDFM-JVWAILMASA-N 0 0 414.513 4.359 50 30 HIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)o1 ZINC000102718048 569327126 /nfs/dbraw/zinc/32/71/26/569327126.db2.gz MTTMZPLFDHMQFZ-KRWDZBQOSA-N 0 0 408.292 4.209 50 30 HIEARN CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@H]1c1ccc(C#N)nc1 ZINC000115645995 569363604 /nfs/dbraw/zinc/36/36/04/569363604.db2.gz PGIVGIFOWOVINL-SFHVURJKSA-N 0 0 400.360 4.106 50 30 HIEARN CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccc(I)cc1 ZINC000002286936 569364613 /nfs/dbraw/zinc/36/46/13/569364613.db2.gz LTVKWOBGXOEHDB-YBEGLDIGSA-N 0 0 421.259 4.474 50 30 HIEARN C[C@@H](NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N)c1ccccc1 ZINC000018137860 569383661 /nfs/dbraw/zinc/38/36/61/569383661.db2.gz UQIWXPPFYKHVPN-CYBMUJFWSA-N 0 0 419.535 4.105 50 30 HIEARN CCOC(=O)CC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CCCC2 ZINC000002362090 569387160 /nfs/dbraw/zinc/38/71/60/569387160.db2.gz OXSRVGTVCROOLL-UHFFFAOYSA-N 0 0 400.525 4.175 50 30 HIEARN Cc1ccc([C@@H](CNc2oc(-c3ccccc3F)nc2C#N)N2CCOCC2)cc1 ZINC000027793539 569395298 /nfs/dbraw/zinc/39/52/98/569395298.db2.gz VIWSCIVFTARIBD-OAQYLSRUSA-N 0 0 406.461 4.146 50 30 HIEARN CC1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002424721 569398398 /nfs/dbraw/zinc/39/83/98/569398398.db2.gz STKWQYPHHPOZBG-FQEVSTJZSA-N 0 0 424.501 4.044 50 30 HIEARN CO[C@]1(/C(C)=N/O)[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012660442 569402569 /nfs/dbraw/zinc/40/25/69/569402569.db2.gz FRVKEWVTLSYVMG-FJXGPOKGSA-N 0 0 419.562 4.087 50 30 HIEARN CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)nc1C ZINC000012795261 569403562 /nfs/dbraw/zinc/40/35/62/569403562.db2.gz LGXGHXSDKOOPJS-GFCCVEGCSA-N 0 0 418.316 4.346 50 30 HIEARN N#Cc1ccc(CN2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000012986398 569405869 /nfs/dbraw/zinc/40/58/69/569405869.db2.gz RRGZEHFAAGMOSO-UHFFFAOYSA-N 0 0 422.941 4.293 50 30 HIEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4cccnc4)o3)o2)cc1 ZINC000008614955 571095709 /nfs/dbraw/zinc/09/57/09/571095709.db2.gz NPAMMVFGMVCLGF-UHFFFAOYSA-N 0 0 402.410 4.401 50 30 HIEARN O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1c[nH]nc1-c1ccccc1 ZINC000008683402 571101321 /nfs/dbraw/zinc/10/13/21/571101321.db2.gz FASRNFHGLLMUIA-JVWAILMASA-N 0 0 421.460 4.248 50 30 HIEARN Cc1cc(SCC(=O)Nc2ccnn2C(C)C)n2c3ccccc3nc2c1C#N ZINC000008746301 571111126 /nfs/dbraw/zinc/11/11/26/571111126.db2.gz IYVNBSLZUBXKGM-UHFFFAOYSA-N 0 0 404.499 4.176 50 30 HIEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154712 571201976 /nfs/dbraw/zinc/20/19/76/571201976.db2.gz FMDNGMXJVQZKKB-YJYMSZOUSA-N 0 0 404.297 4.266 50 30 HIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)CN(CCc1ccc(F)cc1)CO3 ZINC000008993131 571207709 /nfs/dbraw/zinc/20/77/09/571207709.db2.gz ZCAFZGLAVDFLPJ-UUYOSTAYSA-N 0 0 402.425 4.232 50 30 HIEARN C=CCN1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)NC1=S ZINC000009010062 571210326 /nfs/dbraw/zinc/21/03/26/571210326.db2.gz DFVCXIXTRUFDNV-HMMYKYKNSA-N 0 0 417.534 4.292 50 30 HIEARN COc1ccc([C@H]2c3c4nc(-c5cccs5)nn4cnc3OC(C)=C2C(C)=O)cc1 ZINC000009041547 571215000 /nfs/dbraw/zinc/21/50/00/571215000.db2.gz WBTHSZDHVRSTNR-GOSISDBHSA-N 0 0 418.478 4.249 50 30 HIEARN CN(C)S(=O)(=O)c1cc(N=Cc2cc(Cl)cc(Cl)c2[O-])ccc1Cl ZINC000245263835 571221641 /nfs/dbraw/zinc/22/16/41/571221641.db2.gz BDPXELYCGKUAIT-UHFFFAOYSA-N 0 0 407.706 4.353 50 30 HIEARN N#CCCN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000009127802 571226941 /nfs/dbraw/zinc/22/69/41/571226941.db2.gz BJFIMYQUAHTEAR-UHFFFAOYSA-N 0 0 421.501 4.323 50 30 HIEARN C=CCN1c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009166776 571232961 /nfs/dbraw/zinc/23/29/61/571232961.db2.gz AMVYRMPFQVHBLS-UHFFFAOYSA-N 0 0 420.918 4.078 50 30 HIEARN C=CCSc1nnc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)s1 ZINC000009169616 571233371 /nfs/dbraw/zinc/23/33/71/571233371.db2.gz WXYCMZRYUWMPRU-CQSZACIVSA-N 0 0 424.979 4.253 50 30 HIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000009217427 571237612 /nfs/dbraw/zinc/23/76/12/571237612.db2.gz DGXBUMZQWPHTHH-QHCPKHFHSA-N 0 0 417.538 4.352 50 30 HIEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(OC)c(OC)c1 ZINC000009262917 571243809 /nfs/dbraw/zinc/24/38/09/571243809.db2.gz MKGDYVXDHYHMGK-UHFFFAOYSA-N 0 0 424.526 4.188 50 30 HIEARN COc1cc(C#N)ccc1OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000009437865 571258833 /nfs/dbraw/zinc/25/88/33/571258833.db2.gz JPBPKPSIRASHEZ-INIZCTEOSA-N 0 0 423.519 4.447 50 30 HIEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)sc2C1 ZINC000009452938 571259964 /nfs/dbraw/zinc/25/99/64/571259964.db2.gz QXNKDYUMNDRWSL-AWEZNQCLSA-N 0 0 421.522 4.340 50 30 HIEARN Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000009575749 571269590 /nfs/dbraw/zinc/26/95/90/571269590.db2.gz YUAYSALAXRQXPW-SZNDQCEHSA-N 0 0 404.422 4.058 50 30 HIEARN O=C1CCCC2=Nc3nc(-c4cccc(Cl)c4)nn3[C@H](c3ccc4c(c3)OCO4)C12 ZINC000009731743 571282935 /nfs/dbraw/zinc/28/29/35/571282935.db2.gz NSXSUHFHFHKDQD-HXUWFJFHSA-N 0 0 420.856 4.349 50 30 HIEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc3ccccn32)c1C#N ZINC000009834944 571287781 /nfs/dbraw/zinc/28/77/81/571287781.db2.gz PETQLKPUYFDUBF-UHFFFAOYSA-N 0 0 408.531 4.255 50 30 HIEARN CCCn1c(SCC(=O)Nc2oc(C)c(C)c2C#N)nnc1-c1cccc(C)c1 ZINC000009994380 571293921 /nfs/dbraw/zinc/29/39/21/571293921.db2.gz SBKBSBGWOVPGCP-UHFFFAOYSA-N 0 0 409.515 4.476 50 30 HIEARN COCc1cc(C)nc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C#N ZINC000010231436 571297368 /nfs/dbraw/zinc/29/73/68/571297368.db2.gz MJSCJIHIIBEYAU-UHFFFAOYSA-N 0 0 409.511 4.443 50 30 HIEARN