smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(-c2c[nH]c(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)cs1 ZINC000826322167 607336341 /nfs/dbraw/zinc/33/63/41/607336341.db2.gz AUBHBGZZTUXMEV-UHFFFAOYSA-N -1 3 366.410 2.384 20 50 FEGDHM Cc1nc(-c2c[nH]c(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)cs1 ZINC000826322167 607336342 /nfs/dbraw/zinc/33/63/42/607336342.db2.gz AUBHBGZZTUXMEV-UHFFFAOYSA-N -1 3 366.410 2.384 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1SCCc2sccc21 ZINC000826448520 607338441 /nfs/dbraw/zinc/33/84/41/607338441.db2.gz YOIOLPFFLIUPEP-ZDUSSCGKSA-N -1 3 358.452 2.402 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1SCCc2sccc21 ZINC000826448520 607338443 /nfs/dbraw/zinc/33/84/43/607338443.db2.gz YOIOLPFFLIUPEP-ZDUSSCGKSA-N -1 3 358.452 2.402 20 50 FEGDHM Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C2CCCCC2)n1 ZINC000826358692 607348251 /nfs/dbraw/zinc/34/82/51/607348251.db2.gz DTYISGYSFNIMLX-UHFFFAOYSA-N -1 3 366.429 2.405 20 50 FEGDHM CC(C)c1nn(C)c(Cl)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824364347 607347515 /nfs/dbraw/zinc/34/75/15/607347515.db2.gz BWDOVKPYXORURO-UHFFFAOYSA-N -1 3 360.809 2.134 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)OC[C@H](C)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235107 607362200 /nfs/dbraw/zinc/36/22/00/607362200.db2.gz BPUIQFKMQKPBDA-TYXSZMRMSA-N -1 3 368.319 2.162 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)OC[C@H](C)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235107 607362201 /nfs/dbraw/zinc/36/22/01/607362201.db2.gz BPUIQFKMQKPBDA-TYXSZMRMSA-N -1 3 368.319 2.162 20 50 FEGDHM O=C(NNC(=O)c1cccc2ccccc21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823277808 599551624 /nfs/dbraw/zinc/55/16/24/599551624.db2.gz XFHDYAGUMOMPOJ-UHFFFAOYSA-N -1 3 373.376 2.486 20 50 FEGDHM O=C(NNC(=O)c1cccc2ccccc21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823277808 599551625 /nfs/dbraw/zinc/55/16/25/599551625.db2.gz XFHDYAGUMOMPOJ-UHFFFAOYSA-N -1 3 373.376 2.486 20 50 FEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1cccc([N+](=O)[O-])c1C ZINC000826249551 607396051 /nfs/dbraw/zinc/39/60/51/607396051.db2.gz IKSMZUWPCXTZMO-UHFFFAOYSA-N -1 3 353.342 2.149 20 50 FEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1cccc([N+](=O)[O-])c1C ZINC000826249551 607396053 /nfs/dbraw/zinc/39/60/53/607396053.db2.gz IKSMZUWPCXTZMO-UHFFFAOYSA-N -1 3 353.342 2.149 20 50 FEGDHM COc1cc(F)cc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826180661 607402096 /nfs/dbraw/zinc/40/20/96/607402096.db2.gz RKLITXOWAPLXRT-VOTSOKGWSA-N -1 3 354.345 2.171 20 50 FEGDHM COc1cc(F)cc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826180661 607402098 /nfs/dbraw/zinc/40/20/98/607402098.db2.gz RKLITXOWAPLXRT-VOTSOKGWSA-N -1 3 354.345 2.171 20 50 FEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000826249833 607463221 /nfs/dbraw/zinc/46/32/21/607463221.db2.gz XIDDSOOWNLKNAE-UHFFFAOYSA-N -1 3 372.392 2.389 20 50 FEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(-c2ccccc2)nn1 ZINC000826249833 607463223 /nfs/dbraw/zinc/46/32/23/607463223.db2.gz XIDDSOOWNLKNAE-UHFFFAOYSA-N -1 3 372.392 2.389 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(N2CCCC2)nc1 ZINC000826446721 607673198 /nfs/dbraw/zinc/67/31/98/607673198.db2.gz VUSXSTXNHYQWEB-UHFFFAOYSA-N -1 3 365.401 2.011 20 50 FEGDHM Cc1nc(-c2ccccc2)[nH]c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826233178 607726009 /nfs/dbraw/zinc/72/60/09/607726009.db2.gz WVLMSHKCNMMNJI-UHFFFAOYSA-N -1 3 360.381 2.322 20 50 FEGDHM Cc1nc(-c2ccccc2)[nH]c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826233178 607726012 /nfs/dbraw/zinc/72/60/12/607726012.db2.gz WVLMSHKCNMMNJI-UHFFFAOYSA-N -1 3 360.381 2.322 20 50 FEGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000826177446 607730989 /nfs/dbraw/zinc/73/09/89/607730989.db2.gz IYAWMYWXVYFXOW-UHFFFAOYSA-N -1 3 368.397 2.419 20 50 FEGDHM COc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1OC(C)C ZINC000826177446 607730991 /nfs/dbraw/zinc/73/09/91/607730991.db2.gz IYAWMYWXVYFXOW-UHFFFAOYSA-N -1 3 368.397 2.419 20 50 FEGDHM O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444452 607888012 /nfs/dbraw/zinc/88/80/12/607888012.db2.gz HEQMREYYIVWFQA-UHFFFAOYSA-N -1 3 358.365 2.021 20 50 FEGDHM O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444452 607888013 /nfs/dbraw/zinc/88/80/13/607888013.db2.gz HEQMREYYIVWFQA-UHFFFAOYSA-N -1 3 358.365 2.021 20 50 FEGDHM CC(C)(C)[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824072042 608179224 /nfs/dbraw/zinc/17/92/24/608179224.db2.gz RNWRJPUVAONKBM-GXTWGEPZSA-N -1 3 359.434 2.087 20 50 FEGDHM CC(C)(C)[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824072042 608179227 /nfs/dbraw/zinc/17/92/27/608179227.db2.gz RNWRJPUVAONKBM-GXTWGEPZSA-N -1 3 359.434 2.087 20 50 FEGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc2c1OCCO2 ZINC000826379315 608213583 /nfs/dbraw/zinc/21/35/83/608213583.db2.gz OOHBAIJSRMFSEH-UVTDQMKNSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc2c1OCCO2 ZINC000826379315 608213584 /nfs/dbraw/zinc/21/35/84/608213584.db2.gz OOHBAIJSRMFSEH-UVTDQMKNSA-N -1 3 359.345 2.428 20 50 FEGDHM O=C(C[C@H](O)c1ccc(Cl)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404411 608277332 /nfs/dbraw/zinc/27/73/32/608277332.db2.gz ZVBTYGUTRHBAAW-AWEZNQCLSA-N -1 3 358.789 2.087 20 50 FEGDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000826277973 608809256 /nfs/dbraw/zinc/80/92/56/608809256.db2.gz NJXBGYWGDJBXCJ-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000826277973 608809260 /nfs/dbraw/zinc/80/92/60/608809260.db2.gz NJXBGYWGDJBXCJ-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM CC1(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)Cc2ccccc2C1 ZINC000824823385 608835232 /nfs/dbraw/zinc/83/52/32/608835232.db2.gz MUWMVLHZTHPMKP-UHFFFAOYSA-N -1 3 363.425 2.298 20 50 FEGDHM CC1(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)Cc2ccccc2C1 ZINC000824823385 608835236 /nfs/dbraw/zinc/83/52/36/608835236.db2.gz MUWMVLHZTHPMKP-UHFFFAOYSA-N -1 3 363.425 2.298 20 50 FEGDHM CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953673 609157027 /nfs/dbraw/zinc/15/70/27/609157027.db2.gz LEHAKEMTGHBIAZ-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953673 609157029 /nfs/dbraw/zinc/15/70/29/609157029.db2.gz LEHAKEMTGHBIAZ-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM CC(=NNC(=O)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948456 609275324 /nfs/dbraw/zinc/27/53/24/609275324.db2.gz NMUKCMFRHPTGJJ-UHFFFAOYSA-N -1 3 368.372 2.315 20 50 FEGDHM CC(=NNC(=O)CCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948456 609275325 /nfs/dbraw/zinc/27/53/25/609275325.db2.gz NMUKCMFRHPTGJJ-UHFFFAOYSA-N -1 3 368.372 2.315 20 50 FEGDHM CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823954011 609275538 /nfs/dbraw/zinc/27/55/38/609275538.db2.gz WHEXCFQBOGUBQI-UHFFFAOYSA-N -1 3 367.388 2.226 20 50 FEGDHM CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823954011 609275540 /nfs/dbraw/zinc/27/55/40/609275540.db2.gz WHEXCFQBOGUBQI-UHFFFAOYSA-N -1 3 367.388 2.226 20 50 FEGDHM Cn1cc(C=NNC(=O)c2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359234 609303193 /nfs/dbraw/zinc/30/31/93/609303193.db2.gz AMAPNKSYSXBITM-UHFFFAOYSA-N -1 3 372.392 2.031 20 50 FEGDHM Cn1cc(C=NNC(=O)c2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359234 609303195 /nfs/dbraw/zinc/30/31/95/609303195.db2.gz AMAPNKSYSXBITM-UHFFFAOYSA-N -1 3 372.392 2.031 20 50 FEGDHM O=C(NN=C1CCOc2c(F)ccc(F)c21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444441 609467778 /nfs/dbraw/zinc/46/77/78/609467778.db2.gz GTGNCPPLAXXWHX-UHFFFAOYSA-N -1 3 370.319 2.062 20 50 FEGDHM O=C(NN=C1CCOc2c(F)ccc(F)c21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444441 609467779 /nfs/dbraw/zinc/46/77/79/609467779.db2.gz GTGNCPPLAXXWHX-UHFFFAOYSA-N -1 3 370.319 2.062 20 50 FEGDHM COc1ccc(S[C@@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826211434 607335821 /nfs/dbraw/zinc/33/58/21/607335821.db2.gz CROFBFDXDAJMHL-NSHDSACASA-N -1 3 370.438 2.499 20 50 FEGDHM COc1ccc(S[C@@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826211434 607335823 /nfs/dbraw/zinc/33/58/23/607335823.db2.gz CROFBFDXDAJMHL-NSHDSACASA-N -1 3 370.438 2.499 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sccc1OC(F)F ZINC000826447648 607341214 /nfs/dbraw/zinc/34/12/14/607341214.db2.gz PLXRSADRUSQEBC-UHFFFAOYSA-N -1 3 352.326 2.287 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(c(Cl)c1)OCO2 ZINC000826446998 607341334 /nfs/dbraw/zinc/34/13/34/607341334.db2.gz IWFGPIMDZVRZTJ-UHFFFAOYSA-N -1 3 358.745 2.006 20 50 FEGDHM O=C(Cc1ccccc1Br)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423163 607344529 /nfs/dbraw/zinc/34/45/29/607344529.db2.gz BEJHSKHOKBZVSS-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000825687695 607347922 /nfs/dbraw/zinc/34/79/22/607347922.db2.gz LUZXGKSCHZPBLR-UHFFFAOYSA-N -1 3 374.408 2.372 20 50 FEGDHM O=C(NNc1ccc(F)c(F)c1F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826447349 607358504 /nfs/dbraw/zinc/35/85/04/607358504.db2.gz BECMTKJWPGYDRR-UHFFFAOYSA-N -1 3 369.694 2.089 20 50 FEGDHM O=C(NNc1ccc(F)c(F)c1F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826447349 607358506 /nfs/dbraw/zinc/35/85/06/607358506.db2.gz BECMTKJWPGYDRR-UHFFFAOYSA-N -1 3 369.694 2.089 20 50 FEGDHM O=C(NNc1ccccc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826449471 607382215 /nfs/dbraw/zinc/38/22/15/607382215.db2.gz UVYLUBKVWIYAJX-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM O=C(NNc1ccccc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826449471 607382217 /nfs/dbraw/zinc/38/22/17/607382217.db2.gz UVYLUBKVWIYAJX-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM C[C@@H](CCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400146 607544959 /nfs/dbraw/zinc/54/49/59/607544959.db2.gz ATVDLUKFWIYLTI-ZDUSSCGKSA-N -1 3 364.409 2.212 20 50 FEGDHM C[C@@H](CCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400146 607544962 /nfs/dbraw/zinc/54/49/62/607544962.db2.gz ATVDLUKFWIYLTI-ZDUSSCGKSA-N -1 3 364.409 2.212 20 50 FEGDHM O=C(NNc1c(F)cccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823281369 606697674 /nfs/dbraw/zinc/69/76/74/606697674.db2.gz RKARXSLMATUBJD-UHFFFAOYSA-N -1 3 352.251 2.180 20 50 FEGDHM O=C(NNc1c(F)cccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823281369 606697675 /nfs/dbraw/zinc/69/76/75/606697675.db2.gz RKARXSLMATUBJD-UHFFFAOYSA-N -1 3 352.251 2.180 20 50 FEGDHM CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948453 608093091 /nfs/dbraw/zinc/09/30/91/608093091.db2.gz NIMLBMUOIMNHTJ-UHFFFAOYSA-N -1 3 356.411 2.156 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccn(-c2ccccc2)n1 ZINC000826448493 608805473 /nfs/dbraw/zinc/80/54/73/608805473.db2.gz XXWRLJUKOFMUJJ-UHFFFAOYSA-N -1 3 361.369 2.201 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccn(-c2ccccc2)n1 ZINC000826448493 608805475 /nfs/dbraw/zinc/80/54/75/608805475.db2.gz XXWRLJUKOFMUJJ-UHFFFAOYSA-N -1 3 361.369 2.201 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cnn(-c2ccccc2)c1 ZINC000826448145 608815096 /nfs/dbraw/zinc/81/50/96/608815096.db2.gz JYMSVACYUGLJQN-UHFFFAOYSA-N -1 3 361.369 2.201 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cnn(-c2ccccc2)c1 ZINC000826448145 608815100 /nfs/dbraw/zinc/81/51/00/608815100.db2.gz JYMSVACYUGLJQN-UHFFFAOYSA-N -1 3 361.369 2.201 20 50 FEGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1cc(Cl)ccn1 ZINC000824171820 609397620 /nfs/dbraw/zinc/39/76/20/609397620.db2.gz DOKUTRYZZXNXRY-UHFFFAOYSA-N -1 3 373.804 2.216 20 50 FEGDHM COc1ncccc1NC(=O)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826222281 609496724 /nfs/dbraw/zinc/49/67/24/609496724.db2.gz QIMYOVFCVPGOPZ-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM COc1ncccc1NC(=O)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826222281 609496726 /nfs/dbraw/zinc/49/67/26/609496726.db2.gz QIMYOVFCVPGOPZ-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000826448783 607334708 /nfs/dbraw/zinc/33/47/08/607334708.db2.gz LLJXKJYSNFVDFV-UHFFFAOYSA-N -1 3 370.323 2.438 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000826448518 607334789 /nfs/dbraw/zinc/33/47/89/607334789.db2.gz YNSDMABRCSNKKU-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccc(F)cc2)on1 ZINC000826448518 607334792 /nfs/dbraw/zinc/33/47/92/607334792.db2.gz YNSDMABRCSNKKU-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccs2)on1 ZINC000826446469 607340823 /nfs/dbraw/zinc/34/08/23/607340823.db2.gz MSKHBBFROZWGJW-UHFFFAOYSA-N -1 3 353.367 2.340 20 50 FEGDHM O=C(CCCOc1ccc(F)cc1F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406231 607341049 /nfs/dbraw/zinc/34/10/49/607341049.db2.gz NGIYVRXLQRRGBT-UHFFFAOYSA-N -1 3 374.351 2.447 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000826446581 607341987 /nfs/dbraw/zinc/34/19/87/607341987.db2.gz QTNVGWYBYGCANE-HNAYVOBHSA-N -1 3 362.393 2.050 20 50 FEGDHM COc1cccc(C(C)=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214618 607345446 /nfs/dbraw/zinc/34/54/46/607345446.db2.gz REUXGGBMQCYWFM-BENRWUELSA-N -1 3 350.382 2.422 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826446755 607352218 /nfs/dbraw/zinc/35/22/18/607352218.db2.gz XBCVYNKNLZEAAS-QWHCGFSZSA-N -1 3 356.336 2.392 20 50 FEGDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NNc1ccc(C#N)cc1 ZINC000824172650 607355979 /nfs/dbraw/zinc/35/59/79/607355979.db2.gz NBBIFWRBGAWAQY-UHFFFAOYSA-N -1 3 363.381 2.039 20 50 FEGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccc(C#N)cc1 ZINC000824172650 607355980 /nfs/dbraw/zinc/35/59/80/607355980.db2.gz NBBIFWRBGAWAQY-UHFFFAOYSA-N -1 3 363.381 2.039 20 50 FEGDHM CC1(C)Cc2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c(O)c2O1 ZINC000824813426 607462510 /nfs/dbraw/zinc/46/25/10/607462510.db2.gz YORRDDFLUUXJHZ-UHFFFAOYSA-N -1 3 366.381 2.043 20 50 FEGDHM C[C@H](CCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400145 607544771 /nfs/dbraw/zinc/54/47/71/607544771.db2.gz ATVDLUKFWIYLTI-CYBMUJFWSA-N -1 3 364.409 2.212 20 50 FEGDHM C[C@H](CCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400145 607544773 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Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000826259751 609260136 /nfs/dbraw/zinc/26/01/36/609260136.db2.gz DEZPFDHDBMQKFB-NSHDSACASA-N -1 3 352.402 2.100 20 50 FEGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1 ZINC000826259751 609260137 /nfs/dbraw/zinc/26/01/37/609260137.db2.gz DEZPFDHDBMQKFB-NSHDSACASA-N -1 3 352.402 2.100 20 50 FEGDHM O=C(NNc1ccccn1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826449438 609263291 /nfs/dbraw/zinc/26/32/91/609263291.db2.gz SMVXXFVHFDLREO-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM O=C(NNc1ccccn1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826449438 609263293 /nfs/dbraw/zinc/26/32/93/609263293.db2.gz SMVXXFVHFDLREO-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM O=C(NNc1cc(Cl)ccn1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826446713 609399297 /nfs/dbraw/zinc/39/92/97/609399297.db2.gz VQCRTVJVNXJUHG-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM O=C(NNc1cc(Cl)ccn1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826446713 609399298 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O=C(NNc1ccccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000826449510 607339911 /nfs/dbraw/zinc/33/99/11/607339911.db2.gz WKMSTBHJFOORST-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM COc1ccc2nc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000826213941 607344357 /nfs/dbraw/zinc/34/43/57/607344357.db2.gz SSPZIRHBZLHODK-UHFFFAOYSA-N -1 3 361.365 2.180 20 50 FEGDHM CC[C@H](Oc1cccc(C)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825158854 607348022 /nfs/dbraw/zinc/34/80/22/607348022.db2.gz CKTOKTIOPCOMHP-INIZCTEOSA-N -1 3 352.398 2.476 20 50 FEGDHM Cc1ccccc1-n1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826305207 607348470 /nfs/dbraw/zinc/34/84/70/607348470.db2.gz OEQPJETWTLRMMC-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM CCCN(CCC)C(=O)CCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825313839 607353706 /nfs/dbraw/zinc/35/37/06/607353706.db2.gz SMUDYPUYCDLZHG-UHFFFAOYSA-N -1 3 373.461 2.129 20 50 FEGDHM COc1ccccc1C1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826219201 607353885 /nfs/dbraw/zinc/35/38/85/607353885.db2.gz 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ZINC000824333818 607713236 /nfs/dbraw/zinc/71/32/36/607713236.db2.gz NJHWRQCACUVBDY-UHFFFAOYSA-N -1 3 352.398 2.340 20 50 FEGDHM CC(C)Oc1ccccc1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824333818 607713238 /nfs/dbraw/zinc/71/32/38/607713238.db2.gz NJHWRQCACUVBDY-UHFFFAOYSA-N -1 3 352.398 2.340 20 50 FEGDHM Cc1cccc(C)c1OCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826296837 607717814 /nfs/dbraw/zinc/71/78/14/607717814.db2.gz KSWNUUVDAGPEMK-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM Cc1cccc(C)c1OCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826296837 607717816 /nfs/dbraw/zinc/71/78/16/607717816.db2.gz KSWNUUVDAGPEMK-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM C[C@@H](CCOc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824407246 607720079 /nfs/dbraw/zinc/72/00/79/607720079.db2.gz WAEVMDPYFNCONQ-ZDUSSCGKSA-N -1 3 352.398 2.415 20 50 FEGDHM C[C@@H](CCOc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824407246 607720082 /nfs/dbraw/zinc/72/00/82/607720082.db2.gz WAEVMDPYFNCONQ-ZDUSSCGKSA-N -1 3 352.398 2.415 20 50 FEGDHM CCO[C@H](C)c1ncc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825576584 607727496 /nfs/dbraw/zinc/72/74/96/607727496.db2.gz LALCYZKXLPLJOL-SECBINFHSA-N -1 3 359.415 2.178 20 50 FEGDHM CCO[C@H](C)c1ncc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825576584 607727498 /nfs/dbraw/zinc/72/74/98/607727498.db2.gz LALCYZKXLPLJOL-SECBINFHSA-N -1 3 359.415 2.178 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826448270 607730520 /nfs/dbraw/zinc/73/05/20/607730520.db2.gz ONPOEOMLCLQQMR-CHWSQXEVSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826448270 607730522 /nfs/dbraw/zinc/73/05/22/607730522.db2.gz ONPOEOMLCLQQMR-CHWSQXEVSA-N -1 3 356.336 2.392 20 50 FEGDHM CC(C)(C)n1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000824152354 607732199 /nfs/dbraw/zinc/73/21/99/607732199.db2.gz BRCIWPPIWFPSOG-UHFFFAOYSA-N -1 3 366.429 2.453 20 50 FEGDHM CC(C)(C)n1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000824152354 607732200 /nfs/dbraw/zinc/73/22/00/607732200.db2.gz BRCIWPPIWFPSOG-UHFFFAOYSA-N -1 3 366.429 2.453 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1COc2ccc(Cl)cc21 ZINC000823280978 606812886 /nfs/dbraw/zinc/81/28/86/606812886.db2.gz KDZKKKOIRPIXAU-ZDUSSCGKSA-N -1 3 371.788 2.280 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1COc2ccc(Cl)cc21 ZINC000823280978 606812888 /nfs/dbraw/zinc/81/28/88/606812888.db2.gz KDZKKKOIRPIXAU-ZDUSSCGKSA-N -1 3 371.788 2.280 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)NCCC2=CCCC2)cc(-c2nnn[n-]2)n1C ZINC000826235857 607807769 /nfs/dbraw/zinc/80/77/69/607807769.db2.gz SRUFPEZDGXPNHP-OQLLNIDSSA-N -1 3 351.414 2.037 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)NCCC2=CCCC2)cc(-c2nn[n-]n2)n1C ZINC000826235857 607807770 /nfs/dbraw/zinc/80/77/70/607807770.db2.gz SRUFPEZDGXPNHP-OQLLNIDSSA-N -1 3 351.414 2.037 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cc(Cl)ccc1F ZINC000826419319 607808130 /nfs/dbraw/zinc/80/81/30/607808130.db2.gz SCZBWRWBSAEMOL-UHFFFAOYSA-N -1 3 374.763 2.188 20 50 FEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cc(Cl)ccc1F ZINC000826419319 607808131 /nfs/dbraw/zinc/80/81/31/607808131.db2.gz SCZBWRWBSAEMOL-UHFFFAOYSA-N -1 3 374.763 2.188 20 50 FEGDHM CC[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC000825134575 607960135 /nfs/dbraw/zinc/96/01/35/607960135.db2.gz VCZRHWPVFOWVGD-CYBMUJFWSA-N -1 3 356.390 2.249 20 50 FEGDHM CC[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC000825134575 607960136 /nfs/dbraw/zinc/96/01/36/607960136.db2.gz VCZRHWPVFOWVGD-CYBMUJFWSA-N -1 3 356.390 2.249 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000826447085 608075162 /nfs/dbraw/zinc/07/51/62/608075162.db2.gz MBZKMFPFJMSEOP-OAHLLOKOSA-N -1 3 350.382 2.128 20 50 FEGDHM COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826181177 608092714 /nfs/dbraw/zinc/09/27/14/608092714.db2.gz ODXVIWVJFIKIMG-UHFFFAOYSA-N -1 3 372.410 2.099 20 50 FEGDHM CC(=NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948811 609275408 /nfs/dbraw/zinc/27/54/08/609275408.db2.gz ZDBCSNNCRUPEIZ-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM CC(=NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948811 609275409 /nfs/dbraw/zinc/27/54/09/609275409.db2.gz ZDBCSNNCRUPEIZ-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM Cc1cc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826266627 609515142 /nfs/dbraw/zinc/51/51/42/609515142.db2.gz WDSUZEJWQMKVMA-UHFFFAOYSA-N -1 3 370.800 2.358 20 50 FEGDHM C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824867315 609551595 /nfs/dbraw/zinc/55/15/95/609551595.db2.gz PCNDFIPLWHZEHV-FZMZJTMJSA-N -1 3 356.430 2.090 20 50 FEGDHM C[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824867315 609551597 /nfs/dbraw/zinc/55/15/97/609551597.db2.gz PCNDFIPLWHZEHV-FZMZJTMJSA-N -1 3 356.430 2.090 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000826448294 607338296 /nfs/dbraw/zinc/33/82/96/607338296.db2.gz PWANIRCAVVFAHL-OLZOCXBDSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000826448294 607338297 /nfs/dbraw/zinc/33/82/97/607338297.db2.gz PWANIRCAVVFAHL-OLZOCXBDSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1SCCc2sccc21 ZINC000826448519 607338422 /nfs/dbraw/zinc/33/84/22/607338422.db2.gz YOIOLPFFLIUPEP-CYBMUJFWSA-N -1 3 358.452 2.402 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1SCCc2sccc21 ZINC000826448519 607338424 /nfs/dbraw/zinc/33/84/24/607338424.db2.gz YOIOLPFFLIUPEP-CYBMUJFWSA-N -1 3 358.452 2.402 20 50 FEGDHM O=C(CSc1ccc(F)c(F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421244 607340902 /nfs/dbraw/zinc/34/09/02/607340902.db2.gz YQSSICDDBZMUQK-UHFFFAOYSA-N -1 3 362.365 2.380 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000826446580 607342136 /nfs/dbraw/zinc/34/21/36/607342136.db2.gz QTNVGWYBYGCANE-DNVCBOLYSA-N -1 3 362.393 2.050 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000826446517 607346259 /nfs/dbraw/zinc/34/62/59/607346259.db2.gz OUYDQTMOUUVGLL-NEPJUHHUSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(Cc1coc(-c2cccs2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423822 607348436 /nfs/dbraw/zinc/34/84/36/607348436.db2.gz ILCJNUWXCFRDCR-UHFFFAOYSA-N -1 3 367.394 2.269 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826446936 607348613 /nfs/dbraw/zinc/34/86/13/607348613.db2.gz GEUSEDCXAKSDBO-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824737885 607348830 /nfs/dbraw/zinc/34/88/30/607348830.db2.gz KVFRLRCUEKTVHJ-GFCCVEGCSA-N -1 3 364.409 2.266 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826446756 607352249 /nfs/dbraw/zinc/35/22/49/607352249.db2.gz XBCVYNKNLZEAAS-STQMWFEESA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2)CCOCC1 ZINC000826446500 607356901 /nfs/dbraw/zinc/35/69/01/607356901.db2.gz OAFDCBRCXYTZEA-UHFFFAOYSA-N -1 3 364.409 2.058 20 50 FEGDHM COc1cc(F)cc(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826180660 607402537 /nfs/dbraw/zinc/40/25/37/607402537.db2.gz RKLITXOWAPLXRT-SREVYHEPSA-N -1 3 354.345 2.171 20 50 FEGDHM COc1cc(F)cc(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826180660 607402539 /nfs/dbraw/zinc/40/25/39/607402539.db2.gz RKLITXOWAPLXRT-SREVYHEPSA-N -1 3 354.345 2.171 20 50 FEGDHM CCc1ncsc1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825754862 607630671 /nfs/dbraw/zinc/63/06/71/607630671.db2.gz IPOSVTMANDJGOB-WZUFQYTHSA-N -1 3 368.426 2.078 20 50 FEGDHM CCc1ncsc1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825754862 607630673 /nfs/dbraw/zinc/63/06/73/607630673.db2.gz IPOSVTMANDJGOB-WZUFQYTHSA-N -1 3 368.426 2.078 20 50 FEGDHM COc1ccc2c(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)coc2c1 ZINC000826211972 607712014 /nfs/dbraw/zinc/71/20/14/607712014.db2.gz BYXDVNHYVQUYQI-UHFFFAOYSA-N -1 3 364.365 2.307 20 50 FEGDHM COc1ccc2c(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)coc2c1 ZINC000826211972 607712016 /nfs/dbraw/zinc/71/20/16/607712016.db2.gz BYXDVNHYVQUYQI-UHFFFAOYSA-N -1 3 364.365 2.307 20 50 FEGDHM Cn1c(Cl)c(Cl)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826355107 607714128 /nfs/dbraw/zinc/71/41/28/607714128.db2.gz KJZDBJDBGAIVSX-UHFFFAOYSA-N -1 3 352.185 2.269 20 50 FEGDHM Cn1c(Cl)c(Cl)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826355107 607714129 /nfs/dbraw/zinc/71/41/29/607714129.db2.gz KJZDBJDBGAIVSX-UHFFFAOYSA-N -1 3 352.185 2.269 20 50 FEGDHM CCO[C@@H](C)c1ncc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825576585 607727448 /nfs/dbraw/zinc/72/74/48/607727448.db2.gz LALCYZKXLPLJOL-VIFPVBQESA-N -1 3 359.415 2.178 20 50 FEGDHM CCO[C@@H](C)c1ncc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825576585 607727449 /nfs/dbraw/zinc/72/74/49/607727449.db2.gz LALCYZKXLPLJOL-VIFPVBQESA-N -1 3 359.415 2.178 20 50 FEGDHM O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000826445847 607824633 /nfs/dbraw/zinc/82/46/33/607824633.db2.gz NHKCANHVTIKGOX-UHFFFAOYSA-N -1 3 367.266 2.177 20 50 FEGDHM O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000826445847 607824634 /nfs/dbraw/zinc/82/46/34/607824634.db2.gz NHKCANHVTIKGOX-UHFFFAOYSA-N -1 3 367.266 2.177 20 50 FEGDHM CC(C)CCn1cccc1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249833 607887502 /nfs/dbraw/zinc/88/75/02/607887502.db2.gz VLPLPAATLMTRKD-UHFFFAOYSA-N -1 3 351.414 2.478 20 50 FEGDHM CC(C)CCn1cccc1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249833 607887503 /nfs/dbraw/zinc/88/75/03/607887503.db2.gz VLPLPAATLMTRKD-UHFFFAOYSA-N -1 3 351.414 2.478 20 50 FEGDHM C[C@@H](C=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824385029 607931005 /nfs/dbraw/zinc/93/10/05/607931005.db2.gz KFQFXKAIOJRFBH-LBPRGKRZSA-N -1 3 368.372 2.290 20 50 FEGDHM C[C@@H](C=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824385029 607931006 /nfs/dbraw/zinc/93/10/06/607931006.db2.gz KFQFXKAIOJRFBH-LBPRGKRZSA-N -1 3 368.372 2.290 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccncc2)cc(-c2nnn[n-]2)n1C ZINC000826235225 607959569 /nfs/dbraw/zinc/95/95/69/607959569.db2.gz FRLISQSVFRKSLS-IYVNWDGISA-N -1 3 363.381 2.120 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000826235225 607959570 /nfs/dbraw/zinc/95/95/70/607959570.db2.gz FRLISQSVFRKSLS-IYVNWDGISA-N -1 3 363.381 2.120 20 50 FEGDHM C[C@]1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCOC1 ZINC000824784694 609296785 /nfs/dbraw/zinc/29/67/85/609296785.db2.gz ZHULNMKJCVEMJO-AWEZNQCLSA-N -1 3 370.335 2.145 20 50 FEGDHM C[C@]1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCOC1 ZINC000824784694 609296787 /nfs/dbraw/zinc/29/67/87/609296787.db2.gz ZHULNMKJCVEMJO-AWEZNQCLSA-N -1 3 370.335 2.145 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826446753 607352227 /nfs/dbraw/zinc/35/22/27/607352227.db2.gz XBCVYNKNLZEAAS-CHWSQXEVSA-N -1 3 356.336 2.392 20 50 FEGDHM COc1ccc(S[C@@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211708 607355099 /nfs/dbraw/zinc/35/50/99/607355099.db2.gz QONHFMDQPZPTQJ-NSHDSACASA-N -1 3 370.438 2.499 20 50 FEGDHM COCCCOc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 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O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444892 607889821 /nfs/dbraw/zinc/88/98/21/607889821.db2.gz YNIPUGQXJZFTQL-VBNZEHGJSA-N -1 3 368.441 2.234 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444892 607889822 /nfs/dbraw/zinc/88/98/22/607889822.db2.gz YNIPUGQXJZFTQL-VBNZEHGJSA-N -1 3 368.441 2.234 20 50 FEGDHM Cc1nn(CCCl)c(C)c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826334729 607952615 /nfs/dbraw/zinc/95/26/15/607952615.db2.gz HKJDHLOVVGHBCL-UHFFFAOYSA-N -1 3 371.832 2.122 20 50 FEGDHM Cc1nn(CCCl)c(C)c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826334729 607952616 /nfs/dbraw/zinc/95/26/16/607952616.db2.gz HKJDHLOVVGHBCL-UHFFFAOYSA-N -1 3 371.832 2.122 20 50 FEGDHM CC1(C)CCC(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824795915 607979281 /nfs/dbraw/zinc/97/92/81/607979281.db2.gz IUFLIIGNPMCCHE-UHFFFAOYSA-N -1 3 371.445 2.027 20 50 FEGDHM CC1(C)CCC(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824795915 607979282 /nfs/dbraw/zinc/97/92/82/607979282.db2.gz IUFLIIGNPMCCHE-UHFFFAOYSA-N -1 3 371.445 2.027 20 50 FEGDHM COc1ccccc1SCC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826221010 608054243 /nfs/dbraw/zinc/05/42/43/608054243.db2.gz KQDOQPFZXNREND-UHFFFAOYSA-N -1 3 368.422 2.118 20 50 FEGDHM COc1ccccc1SCC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826221010 608054244 /nfs/dbraw/zinc/05/42/44/608054244.db2.gz KQDOQPFZXNREND-UHFFFAOYSA-N -1 3 368.422 2.118 20 50 FEGDHM Cc1nn(C)c(Cl)c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826333867 608215566 /nfs/dbraw/zinc/21/55/66/608215566.db2.gz XXRKIHXXSOIBKQ-KPKJPENVSA-N -1 3 353.773 2.352 20 50 FEGDHM Cc1nn(C)c(Cl)c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826333867 608215567 /nfs/dbraw/zinc/21/55/67/608215567.db2.gz XXRKIHXXSOIBKQ-KPKJPENVSA-N -1 3 353.773 2.352 20 50 FEGDHM N#CC(=Cc1cnn(CCCl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378855 608217163 /nfs/dbraw/zinc/21/71/63/608217163.db2.gz BWTNWVQXHMNERY-MKMNVTDBSA-N -1 3 353.773 2.092 20 50 FEGDHM N#CC(=Cc1cnn(CCCl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378855 608217165 /nfs/dbraw/zinc/21/71/65/608217165.db2.gz BWTNWVQXHMNERY-MKMNVTDBSA-N -1 3 353.773 2.092 20 50 FEGDHM CC(C)COc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824272102 608810330 /nfs/dbraw/zinc/81/03/30/608810330.db2.gz UEENYARWEPJOPR-UHFFFAOYSA-N -1 3 368.401 2.445 20 50 FEGDHM CC(C)COc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824272102 608810333 /nfs/dbraw/zinc/81/03/33/608810333.db2.gz UEENYARWEPJOPR-UHFFFAOYSA-N -1 3 368.401 2.445 20 50 FEGDHM COc1cc(OC)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826181206 608816693 /nfs/dbraw/zinc/81/66/93/608816693.db2.gz PNINAHJEIZDYIK-UHFFFAOYSA-N -1 3 373.348 2.172 20 50 FEGDHM COc1cc(OC)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826181206 608816696 /nfs/dbraw/zinc/81/66/96/608816696.db2.gz PNINAHJEIZDYIK-UHFFFAOYSA-N -1 3 373.348 2.172 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(C(F)(F)F)nc1 ZINC000826448091 608817840 /nfs/dbraw/zinc/81/78/40/608817840.db2.gz IBRRYRDUWLIMIS-UHFFFAOYSA-N -1 3 364.291 2.429 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(C(F)(F)F)nc1 ZINC000826448091 608817842 /nfs/dbraw/zinc/81/78/42/608817842.db2.gz IBRRYRDUWLIMIS-UHFFFAOYSA-N -1 3 364.291 2.429 20 50 FEGDHM CC(C)OC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824305885 609301782 /nfs/dbraw/zinc/30/17/82/609301782.db2.gz VXAJKASFDJFHIA-ZSOIEALJSA-N -1 3 363.381 2.126 20 50 FEGDHM CC(C)OC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824305885 609301783 /nfs/dbraw/zinc/30/17/83/609301783.db2.gz VXAJKASFDJFHIA-ZSOIEALJSA-N -1 3 363.381 2.126 20 50 FEGDHM C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000824866178 609544912 /nfs/dbraw/zinc/54/49/12/609544912.db2.gz LLZCHWIEMHKFPZ-FZMZJTMJSA-N -1 3 356.430 2.090 20 50 FEGDHM C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824866178 609544914 /nfs/dbraw/zinc/54/49/14/609544914.db2.gz LLZCHWIEMHKFPZ-FZMZJTMJSA-N -1 3 356.430 2.090 20 50 FEGDHM C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000824866176 609545045 /nfs/dbraw/zinc/54/50/45/609545045.db2.gz LLZCHWIEMHKFPZ-BXUZGUMPSA-N -1 3 356.430 2.090 20 50 FEGDHM C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824866176 609545047 /nfs/dbraw/zinc/54/50/47/609545047.db2.gz LLZCHWIEMHKFPZ-BXUZGUMPSA-N -1 3 356.430 2.090 20 50 FEGDHM CN(C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000825850756 607337549 /nfs/dbraw/zinc/33/75/49/607337549.db2.gz RRGHMVUHWUXORR-OAHLLOKOSA-N -1 3 371.832 2.266 20 50 FEGDHM CN(C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000825850756 607337550 /nfs/dbraw/zinc/33/75/50/607337550.db2.gz RRGHMVUHWUXORR-OAHLLOKOSA-N -1 3 371.832 2.266 20 50 FEGDHM CC(C)(C)c1noc(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824141315 607340217 /nfs/dbraw/zinc/34/02/17/607340217.db2.gz FNKLMMJSVQJCST-UHFFFAOYSA-N -1 3 370.417 2.013 20 50 FEGDHM O=C(Cc1cc(-c2ccccc2)on1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421543 607340811 /nfs/dbraw/zinc/34/08/11/607340811.db2.gz MUFDWAYCUQWNMX-UHFFFAOYSA-N -1 3 361.365 2.208 20 50 FEGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1-c1ccccn1 ZINC000826260028 607344242 /nfs/dbraw/zinc/34/42/42/607344242.db2.gz RPVUTEUTVXFGLV-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM COc1cccc(SCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826217276 607345478 /nfs/dbraw/zinc/34/54/78/607345478.db2.gz GFBLIMTZQOCCGB-UHFFFAOYSA-N -1 3 356.411 2.111 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000826446790 607347128 /nfs/dbraw/zinc/34/71/28/607347128.db2.gz YIXZOYRFIKTCNR-UHFFFAOYSA-N -1 3 364.344 2.153 20 50 FEGDHM O=C(CCCn1cnc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406544 607349407 /nfs/dbraw/zinc/34/94/07/607349407.db2.gz BRFWBHVEKIEGDB-UHFFFAOYSA-N -1 3 362.397 2.140 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000826446546 607352312 /nfs/dbraw/zinc/35/23/12/607352312.db2.gz PTIZALAFORDSAO-UHFFFAOYSA-N -1 3 365.328 2.017 20 50 FEGDHM COc1cccc([C@H]2C[C@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214963 607353770 /nfs/dbraw/zinc/35/37/70/607353770.db2.gz BXTSRRXXBHVLAQ-HZPDHXFCSA-N -1 3 350.382 2.122 20 50 FEGDHM Cc1ccc(OCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826292056 607717714 /nfs/dbraw/zinc/71/77/14/607717714.db2.gz GKXOENZDPSBVEC-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM Cc1ccc(OCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826292056 607717717 /nfs/dbraw/zinc/71/77/17/607717717.db2.gz GKXOENZDPSBVEC-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824737197 607725418 /nfs/dbraw/zinc/72/54/18/607725418.db2.gz DBYLYELKKCICOQ-GFCCVEGCSA-N -1 3 364.409 2.266 20 50 FEGDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824737197 607725420 /nfs/dbraw/zinc/72/54/20/607725420.db2.gz DBYLYELKKCICOQ-GFCCVEGCSA-N -1 3 364.409 2.266 20 50 FEGDHM CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823999647 607726958 /nfs/dbraw/zinc/72/69/58/607726958.db2.gz FXBCGWRDQGQIQD-UHFFFAOYSA-N -1 3 371.788 2.235 20 50 FEGDHM CC(=O)Nc1ccc(Cl)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823999647 607726960 /nfs/dbraw/zinc/72/69/60/607726960.db2.gz FXBCGWRDQGQIQD-UHFFFAOYSA-N -1 3 371.788 2.235 20 50 FEGDHM O=C(CSCc1ccc(F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826420668 607728469 /nfs/dbraw/zinc/72/84/69/607728469.db2.gz WHLYKJKBSGEXJW-UHFFFAOYSA-N -1 3 358.402 2.382 20 50 FEGDHM O=C(CSCc1ccc(F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826420668 607728471 /nfs/dbraw/zinc/72/84/71/607728471.db2.gz WHLYKJKBSGEXJW-UHFFFAOYSA-N -1 3 358.402 2.382 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccccn2)s1 ZINC000826449146 607730835 /nfs/dbraw/zinc/73/08/35/607730835.db2.gz DLLRESHMOKPACX-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccccn2)s1 ZINC000826449146 607730837 /nfs/dbraw/zinc/73/08/37/607730837.db2.gz DLLRESHMOKPACX-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(CCOc1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407946 607731769 /nfs/dbraw/zinc/73/17/69/607731769.db2.gz JAGLVWBHBUCHDJ-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM O=C(CCOc1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407946 607731770 /nfs/dbraw/zinc/73/17/70/607731770.db2.gz JAGLVWBHBUCHDJ-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCSCC1 ZINC000823281025 606126468 /nfs/dbraw/zinc/12/64/68/606126468.db2.gz LYIWSEMECJGFES-UHFFFAOYSA-N -1 3 372.376 2.472 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCSCC1 ZINC000823281025 606126469 /nfs/dbraw/zinc/12/64/69/606126469.db2.gz LYIWSEMECJGFES-UHFFFAOYSA-N -1 3 372.376 2.472 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1COc2ccc(Cl)cc21 ZINC000823280977 606813112 /nfs/dbraw/zinc/81/31/12/606813112.db2.gz KDZKKKOIRPIXAU-CYBMUJFWSA-N -1 3 371.788 2.280 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1COc2ccc(Cl)cc21 ZINC000823280977 606813114 /nfs/dbraw/zinc/81/31/14/606813114.db2.gz KDZKKKOIRPIXAU-CYBMUJFWSA-N -1 3 371.788 2.280 20 50 FEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cc(Cl)ccc1F ZINC000826417680 607808084 /nfs/dbraw/zinc/80/80/84/607808084.db2.gz ZUMIZRHFRAERLI-UHFFFAOYSA-N -1 3 374.763 2.188 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000826444780 607889005 /nfs/dbraw/zinc/88/90/05/607889005.db2.gz UAJBYBKKYCMZMG-UHFFFAOYSA-N -1 3 358.308 2.232 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1cccc(OC(F)F)c1 ZINC000826444780 607889006 /nfs/dbraw/zinc/88/90/06/607889006.db2.gz UAJBYBKKYCMZMG-UHFFFAOYSA-N -1 3 358.308 2.232 20 50 FEGDHM C[C@H](C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824385042 607930870 /nfs/dbraw/zinc/93/08/70/607930870.db2.gz KJPAWSAIQIXYTL-GFCCVEGCSA-N -1 3 368.372 2.290 20 50 FEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948424 608093291 /nfs/dbraw/zinc/09/32/91/608093291.db2.gz LWMYFIRPRUKLJI-SNVBAGLBSA-N -1 3 374.401 2.375 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)C2CCCC2)cc(-c2nnn[n-]2)n1C ZINC000826235661 608200330 /nfs/dbraw/zinc/20/03/30/608200330.db2.gz OOFILOKSNGPDHP-LWHXSLQUSA-N -1 3 353.430 2.116 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)C2CCCC2)cc(-c2nn[n-]n2)n1C ZINC000826235661 608200332 /nfs/dbraw/zinc/20/03/32/608200332.db2.gz OOFILOKSNGPDHP-LWHXSLQUSA-N -1 3 353.430 2.116 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C2CCCC2)cc(-c2nnn[n-]2)n1C ZINC000826235662 608200349 /nfs/dbraw/zinc/20/03/49/608200349.db2.gz OOFILOKSNGPDHP-OXFWXOROSA-N -1 3 353.430 2.116 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C2CCCC2)cc(-c2nn[n-]n2)n1C ZINC000826235662 608200350 /nfs/dbraw/zinc/20/03/50/608200350.db2.gz OOFILOKSNGPDHP-OXFWXOROSA-N -1 3 353.430 2.116 20 50 FEGDHM N#CC(=Cc1ccccc1-n1cncn1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379309 608217804 /nfs/dbraw/zinc/21/78/04/608217804.db2.gz OLLZVEWVROAGKF-PXNMLYILSA-N -1 3 368.360 2.237 20 50 FEGDHM N#CC(=Cc1ccccc1-n1cncn1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379309 608217805 /nfs/dbraw/zinc/21/78/05/608217805.db2.gz OLLZVEWVROAGKF-PXNMLYILSA-N -1 3 368.360 2.237 20 50 FEGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1cccc2c1OCCO2 ZINC000826379271 608219572 /nfs/dbraw/zinc/21/95/72/608219572.db2.gz NPPKICZRLJPWRC-JLHYYAGUSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1cccc2c1OCCO2 ZINC000826379271 608219574 /nfs/dbraw/zinc/21/95/74/608219574.db2.gz NPPKICZRLJPWRC-JLHYYAGUSA-N -1 3 359.345 2.428 20 50 FEGDHM O=C(NN=Cc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444767 608229794 /nfs/dbraw/zinc/22/97/94/608229794.db2.gz TUWSQRYRUQYOMO-UHFFFAOYSA-N -1 3 361.287 2.044 20 50 FEGDHM O=C(NN=Cc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444767 608229795 /nfs/dbraw/zinc/22/97/95/608229795.db2.gz TUWSQRYRUQYOMO-UHFFFAOYSA-N -1 3 361.287 2.044 20 50 FEGDHM CC(=NNC(=O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948419 609276484 /nfs/dbraw/zinc/27/64/84/609276484.db2.gz LQQWETMZBYRIBN-UHFFFAOYSA-N -1 3 356.336 2.228 20 50 FEGDHM CC(=NNC(=O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948419 609276486 /nfs/dbraw/zinc/27/64/86/609276486.db2.gz LQQWETMZBYRIBN-UHFFFAOYSA-N -1 3 356.336 2.228 20 50 FEGDHM Cc1nscc1C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826340161 609297894 /nfs/dbraw/zinc/29/78/94/609297894.db2.gz KWKPJONVFROLGW-UHFFFAOYSA-N -1 3 369.332 2.407 20 50 FEGDHM Cc1nscc1C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826340161 609297896 /nfs/dbraw/zinc/29/78/96/609297896.db2.gz KWKPJONVFROLGW-UHFFFAOYSA-N -1 3 369.332 2.407 20 50 FEGDHM O=C(NN=C1CCCOc2cc(F)ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826444383 609375196 /nfs/dbraw/zinc/37/51/96/609375196.db2.gz DADNMIXWZWWZIL-UHFFFAOYSA-N -1 3 366.356 2.313 20 50 FEGDHM O=C(NN=C1CCCOc2cc(F)ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826444383 609375198 /nfs/dbraw/zinc/37/51/98/609375198.db2.gz DADNMIXWZWWZIL-UHFFFAOYSA-N -1 3 366.356 2.313 20 50 FEGDHM COc1ccc(NC(=O)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000826209645 609496925 /nfs/dbraw/zinc/49/69/25/609496925.db2.gz KOWICFMUDVVTLT-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM COc1ccc(NC(=O)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826209645 609496927 /nfs/dbraw/zinc/49/69/27/609496927.db2.gz KOWICFMUDVVTLT-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM Cc1cc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826272068 607339001 /nfs/dbraw/zinc/33/90/01/607339001.db2.gz SPACXNZMCMUTPB-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNc1ccccc1F ZINC000826420426 607339468 /nfs/dbraw/zinc/33/94/68/607339468.db2.gz MFSUCRDLFKPLBQ-UHFFFAOYSA-N -1 3 358.402 2.382 20 50 FEGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNc1ccccc1F ZINC000826420426 607339471 /nfs/dbraw/zinc/33/94/71/607339471.db2.gz MFSUCRDLFKPLBQ-UHFFFAOYSA-N -1 3 358.402 2.382 20 50 FEGDHM Cc1c2ccccc2oc(=O)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826234898 607345616 /nfs/dbraw/zinc/34/56/16/607345616.db2.gz STVHOPQEAGVORR-UHFFFAOYSA-N -1 3 362.349 2.038 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000826447072 607353472 /nfs/dbraw/zinc/35/34/72/607353472.db2.gz LSPFHBRKGJYJPA-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM N#Cc1ccc(NNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385737 607355633 /nfs/dbraw/zinc/35/56/33/607355633.db2.gz YLKWJJAAKWMGPI-UHFFFAOYSA-N -1 3 365.422 2.115 20 50 FEGDHM N#Cc1ccc(NNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385737 607355635 /nfs/dbraw/zinc/35/56/35/607355635.db2.gz YLKWJJAAKWMGPI-UHFFFAOYSA-N -1 3 365.422 2.115 20 50 FEGDHM C[C@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824745376 607354624 /nfs/dbraw/zinc/35/46/24/607354624.db2.gz RGAUQOYWQDJNSS-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccn2)n1 ZINC000826447819 607357169 /nfs/dbraw/zinc/35/71/69/607357169.db2.gz XNHFNITWQAEBFY-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM CC(C)(C)n1cc(C#N)cc1NC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824148354 607671232 /nfs/dbraw/zinc/67/12/32/607671232.db2.gz RKERVNLKGUIWBR-UHFFFAOYSA-N -1 3 365.401 2.443 20 50 FEGDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824739457 607720396 /nfs/dbraw/zinc/72/03/96/607720396.db2.gz XQCANUZUNDPGPG-SECBINFHSA-N -1 3 360.324 2.056 20 50 FEGDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824739457 607720398 /nfs/dbraw/zinc/72/03/98/607720398.db2.gz XQCANUZUNDPGPG-SECBINFHSA-N -1 3 360.324 2.056 20 50 FEGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833472292 605183891 /nfs/dbraw/zinc/18/38/91/605183891.db2.gz AHZDRJUOFHKISM-CZUORRHYSA-N -1 3 363.458 2.010 20 50 FEGDHM O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cn1 ZINC000823280835 606932181 /nfs/dbraw/zinc/93/21/81/606932181.db2.gz GYVLHNNGLHZXKR-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000823280835 606932183 /nfs/dbraw/zinc/93/21/83/606932183.db2.gz GYVLHNNGLHZXKR-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM COc1ccc2c(c1)CC(=NNC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826212394 607783165 /nfs/dbraw/zinc/78/31/65/607783165.db2.gz OUHSFJXFASPCLM-UHFFFAOYSA-N -1 3 362.393 2.150 20 50 FEGDHM COc1ccc2c(c1)CC(=NNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826212394 607783166 /nfs/dbraw/zinc/78/31/66/607783166.db2.gz OUHSFJXFASPCLM-UHFFFAOYSA-N -1 3 362.393 2.150 20 50 FEGDHM Cc1ccc(SCC(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826292684 607882754 /nfs/dbraw/zinc/88/27/54/607882754.db2.gz HHUQKVYZTKMVTE-UHFFFAOYSA-N -1 3 352.423 2.418 20 50 FEGDHM Cc1ccc(SCC(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826292684 607882755 /nfs/dbraw/zinc/88/27/55/607882755.db2.gz HHUQKVYZTKMVTE-UHFFFAOYSA-N -1 3 352.423 2.418 20 50 FEGDHM COc1ccc(CNC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826195727 607884275 /nfs/dbraw/zinc/88/42/75/607884275.db2.gz DFGNXNOXSDCNPQ-XNTDXEJSSA-N -1 3 360.377 2.099 20 50 FEGDHM COc1ccc(CNC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826195727 607884276 /nfs/dbraw/zinc/88/42/76/607884276.db2.gz DFGNXNOXSDCNPQ-XNTDXEJSSA-N -1 3 360.377 2.099 20 50 FEGDHM CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823948238 608093188 /nfs/dbraw/zinc/09/31/88/608093188.db2.gz IMYWQGGJEHPXCW-JTQLQIEISA-N -1 3 374.401 2.375 20 50 FEGDHM Cc1nn(C)c2ncc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000826334219 608213747 /nfs/dbraw/zinc/21/37/47/608213747.db2.gz MERAIKRSABWZAQ-GIDUJCDVSA-N -1 3 370.376 2.247 20 50 FEGDHM Cc1nn(C)c2ncc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000826334219 608213749 /nfs/dbraw/zinc/21/37/49/608213749.db2.gz MERAIKRSABWZAQ-GIDUJCDVSA-N -1 3 370.376 2.247 20 50 FEGDHM CC(=NNC(=O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823947981 609158632 /nfs/dbraw/zinc/15/86/32/609158632.db2.gz ADCSNAHVWUUJBD-UHFFFAOYSA-N -1 3 368.372 2.063 20 50 FEGDHM CC(=NNC(=O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823947981 609158634 /nfs/dbraw/zinc/15/86/34/609158634.db2.gz ADCSNAHVWUUJBD-UHFFFAOYSA-N -1 3 368.372 2.063 20 50 FEGDHM COc1ccccc1C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826218171 609160480 /nfs/dbraw/zinc/16/04/80/609160480.db2.gz RIGKMBBWGJTFKY-UHFFFAOYSA-N -1 3 354.345 2.168 20 50 FEGDHM COc1ccccc1C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826218171 609160481 /nfs/dbraw/zinc/16/04/81/609160481.db2.gz RIGKMBBWGJTFKY-UHFFFAOYSA-N -1 3 354.345 2.168 20 50 FEGDHM O=C(NNc1cccnn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826449083 609405540 /nfs/dbraw/zinc/40/55/40/609405540.db2.gz APMZSWROOGPJBQ-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM O=C(NNc1cccnn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826449083 609405542 /nfs/dbraw/zinc/40/55/42/609405542.db2.gz APMZSWROOGPJBQ-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM O=C(C[C@@H]1OCCc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405248 607334614 /nfs/dbraw/zinc/33/46/14/607334614.db2.gz ZRJQPVONKYVSEK-INIZCTEOSA-N -1 3 350.382 2.014 20 50 FEGDHM O=C(C[C@@H]1OCCc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405248 607334616 /nfs/dbraw/zinc/33/46/16/607334616.db2.gz ZRJQPVONKYVSEK-INIZCTEOSA-N -1 3 350.382 2.014 20 50 FEGDHM CCN(C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825391153 607337357 /nfs/dbraw/zinc/33/73/57/607337357.db2.gz VTDVXUQRKRNVTO-MRXNPFEDSA-N -1 3 351.414 2.003 20 50 FEGDHM CCOCCOc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825603772 607340460 /nfs/dbraw/zinc/34/04/60/607340460.db2.gz BUOZGZRUFVQYOP-UHFFFAOYSA-N -1 3 368.397 2.039 20 50 FEGDHM C[C@H](Oc1ccccc1Cl)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824757396 607346218 /nfs/dbraw/zinc/34/62/18/607346218.db2.gz VZUYHIBERXMOKE-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccnc1N1CCCCC1 ZINC000826446943 607350930 /nfs/dbraw/zinc/35/09/30/607350930.db2.gz GJLBXZIIIJFQRD-UHFFFAOYSA-N -1 3 364.413 2.009 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1nc(Cl)ccc1Cl ZINC000826447649 607351060 /nfs/dbraw/zinc/35/10/60/607351060.db2.gz PMAQYIFXUPKEBY-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM O=C(Cc1ccc(Br)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826422862 607355388 /nfs/dbraw/zinc/35/53/88/607355388.db2.gz OVLZDLIFLKOLMM-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824178490 607355842 /nfs/dbraw/zinc/35/58/42/607355842.db2.gz UUYGHSQMMAYCCR-UHFFFAOYSA-N -1 3 363.381 2.039 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1cc(F)c(F)c(F)c1 ZINC000826401497 607398285 /nfs/dbraw/zinc/39/82/85/607398285.db2.gz AHKWIQOLSSQHNW-WAYWQWQTSA-N -1 3 360.299 2.441 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1cc(F)c(F)c(F)c1 ZINC000826401497 607398286 /nfs/dbraw/zinc/39/82/86/607398286.db2.gz AHKWIQOLSSQHNW-WAYWQWQTSA-N -1 3 360.299 2.441 20 50 FEGDHM C[C@H](CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824401584 607536776 /nfs/dbraw/zinc/53/67/76/607536776.db2.gz QSEGQXHJAPPLPZ-CYBMUJFWSA-N -1 3 364.409 2.212 20 50 FEGDHM C[C@H](CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824401584 607536778 /nfs/dbraw/zinc/53/67/78/607536778.db2.gz QSEGQXHJAPPLPZ-CYBMUJFWSA-N -1 3 364.409 2.212 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=CC=Cc1ccc(F)cc1 ZINC000826419160 607652466 /nfs/dbraw/zinc/65/24/66/607652466.db2.gz LTGAREHHBQFRHI-DEUPBQQDSA-N -1 3 366.356 2.200 20 50 FEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=CC=Cc1ccc(F)cc1 ZINC000826419160 607652468 /nfs/dbraw/zinc/65/24/68/607652468.db2.gz LTGAREHHBQFRHI-DEUPBQQDSA-N -1 3 366.356 2.200 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000826448167 607723096 /nfs/dbraw/zinc/72/30/96/607723096.db2.gz KSOKQZRNOJNJLF-UHFFFAOYSA-N -1 3 364.344 2.153 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000826448167 607723098 /nfs/dbraw/zinc/72/30/98/607723098.db2.gz KSOKQZRNOJNJLF-UHFFFAOYSA-N -1 3 364.344 2.153 20 50 FEGDHM CC1(C)CCC(=CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824797251 607724934 /nfs/dbraw/zinc/72/49/34/607724934.db2.gz XKKHJWFKLBJGOI-UHFFFAOYSA-N -1 3 354.414 2.154 20 50 FEGDHM CC1(C)CCC(=CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824797251 607724935 /nfs/dbraw/zinc/72/49/35/607724935.db2.gz XKKHJWFKLBJGOI-UHFFFAOYSA-N -1 3 354.414 2.154 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826448902 607725056 /nfs/dbraw/zinc/72/50/56/607725056.db2.gz REOGQKFCOIKEEN-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826448902 607725057 /nfs/dbraw/zinc/72/50/57/607725057.db2.gz REOGQKFCOIKEEN-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824737198 607725564 /nfs/dbraw/zinc/72/55/64/607725564.db2.gz DBYLYELKKCICOQ-LBPRGKRZSA-N -1 3 364.409 2.266 20 50 FEGDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824737198 607725566 /nfs/dbraw/zinc/72/55/66/607725566.db2.gz DBYLYELKKCICOQ-LBPRGKRZSA-N -1 3 364.409 2.266 20 50 FEGDHM Cc1ccc(CC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000826287033 607822814 /nfs/dbraw/zinc/82/28/14/607822814.db2.gz ZSJZLSKJNOVMOE-UHFFFAOYSA-N -1 3 366.303 2.473 20 50 FEGDHM Cc1ccc(CC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000826287033 607822815 /nfs/dbraw/zinc/82/28/15/607822815.db2.gz ZSJZLSKJNOVMOE-UHFFFAOYSA-N -1 3 366.303 2.473 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2ccncc2)cc(-c2nnn[n-]2)n1C ZINC000826235224 607959490 /nfs/dbraw/zinc/95/94/90/607959490.db2.gz FRLISQSVFRKSLS-AZZDOICSSA-N -1 3 363.381 2.120 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)c2ccncc2)cc(-c2nn[n-]n2)n1C ZINC000826235224 607959491 /nfs/dbraw/zinc/95/94/91/607959491.db2.gz FRLISQSVFRKSLS-AZZDOICSSA-N -1 3 363.381 2.120 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC23CCCCC3)cc(-c2nnn[n-]2)n1C ZINC000826235703 608198461 /nfs/dbraw/zinc/19/84/61/608198461.db2.gz PHARFYKAXCBRKZ-WPMUKRGUSA-N -1 3 365.441 2.260 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC23CCCCC3)cc(-c2nn[n-]n2)n1C ZINC000826235703 608198463 /nfs/dbraw/zinc/19/84/63/608198463.db2.gz PHARFYKAXCBRKZ-WPMUKRGUSA-N -1 3 365.441 2.260 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(Oc2ccccc2)cn1 ZINC000826447432 608319574 /nfs/dbraw/zinc/31/95/74/608319574.db2.gz FVNUZFAKWUBVPQ-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826293274 608802224 /nfs/dbraw/zinc/80/22/24/608802224.db2.gz JAOZRVKCPYNHAU-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826293274 608802225 /nfs/dbraw/zinc/80/22/25/608802225.db2.gz JAOZRVKCPYNHAU-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM CC(C)(C)c1ncc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824142441 608807750 /nfs/dbraw/zinc/80/77/50/608807750.db2.gz SSDNFDUPHLUGRF-UHFFFAOYSA-N -1 3 353.390 2.103 20 50 FEGDHM CC(C)(C)c1ncc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824142441 608807754 /nfs/dbraw/zinc/80/77/54/608807754.db2.gz SSDNFDUPHLUGRF-UHFFFAOYSA-N -1 3 353.390 2.103 20 50 FEGDHM CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948196 609273221 /nfs/dbraw/zinc/27/32/21/609273221.db2.gz GRBGNFBQXDHQSJ-UHFFFAOYSA-N -1 3 367.388 2.267 20 50 FEGDHM CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948196 609273223 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O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1coc2ccccc12 ZINC000826417032 607531334 /nfs/dbraw/zinc/53/13/34/607531334.db2.gz AWNMKRCNBVGQHI-UHFFFAOYSA-N -1 3 362.349 2.142 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1nc(C(F)(F)F)cs1 ZINC000826446352 607672441 /nfs/dbraw/zinc/67/24/41/607672441.db2.gz IOMCULROCVGZTM-UHFFFAOYSA-N -1 3 370.320 2.491 20 50 FEGDHM CC1(C)CCCC[C@H]1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824802714 607712935 /nfs/dbraw/zinc/71/29/35/607712935.db2.gz OUNUUADCAYVRFO-AWEZNQCLSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCCC[C@H]1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824802714 607712938 /nfs/dbraw/zinc/71/29/38/607712938.db2.gz OUNUUADCAYVRFO-AWEZNQCLSA-N -1 3 356.430 2.234 20 50 FEGDHM CC[C@@H](Oc1ccccc1F)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825159158 607715491 /nfs/dbraw/zinc/71/54/91/607715491.db2.gz KEXDUQWJPJECSR-CQSZACIVSA-N -1 3 356.361 2.307 20 50 FEGDHM CC[C@@H](Oc1ccccc1F)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825159158 607715493 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O=C(NNc1cccc(C(F)(F)F)n1)c1cc(-c2nn[n-]n2)cs1 ZINC000823281630 606585916 /nfs/dbraw/zinc/58/59/16/606585916.db2.gz VKZRVCJUECMYMU-UHFFFAOYSA-N -1 3 355.305 2.099 20 50 FEGDHM CC(C)OC1CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824309411 607782127 /nfs/dbraw/zinc/78/21/27/607782127.db2.gz NMUTTXYPSXZVRA-UHFFFAOYSA-N -1 3 359.434 2.229 20 50 FEGDHM CC(C)OC1CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824309411 607782128 /nfs/dbraw/zinc/78/21/28/607782128.db2.gz NMUTTXYPSXZVRA-UHFFFAOYSA-N -1 3 359.434 2.229 20 50 FEGDHM CC1(C)CCC[C@H](CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801325 607889132 /nfs/dbraw/zinc/88/91/32/607889132.db2.gz DHPLJAJTSBHSSO-GFCCVEGCSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCC[C@H](CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801325 607889133 /nfs/dbraw/zinc/88/91/33/607889133.db2.gz DHPLJAJTSBHSSO-GFCCVEGCSA-N -1 3 356.430 2.234 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC23CCCCC3)cc(-c2nnn[n-]2)n1C ZINC000826235700 608198670 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COc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826209534 608801957 /nfs/dbraw/zinc/80/19/57/608801957.db2.gz GWPWWUFMOKLPCX-UHFFFAOYSA-N -1 3 355.358 2.033 20 50 FEGDHM COc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826209534 608801960 /nfs/dbraw/zinc/80/19/60/608801960.db2.gz GWPWWUFMOKLPCX-UHFFFAOYSA-N -1 3 355.358 2.033 20 50 FEGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824070757 608813035 /nfs/dbraw/zinc/81/30/35/608813035.db2.gz BRUUCWNARCVWFK-UHFFFAOYSA-N -1 3 371.323 2.084 20 50 FEGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824070757 608813038 /nfs/dbraw/zinc/81/30/38/608813038.db2.gz BRUUCWNARCVWFK-UHFFFAOYSA-N -1 3 371.323 2.084 20 50 FEGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823953565 609467851 /nfs/dbraw/zinc/46/78/51/609467851.db2.gz GYWWJQGSXULKIL-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823953565 609467852 /nfs/dbraw/zinc/46/78/52/609467852.db2.gz GYWWJQGSXULKIL-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM Cc1nn(C(C)(C)C)c(C)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826332929 607336358 /nfs/dbraw/zinc/33/63/58/607336358.db2.gz NFTAQVPMBMSVGF-UHFFFAOYSA-N -1 3 354.418 2.192 20 50 FEGDHM Cc1nn(C(C)(C)C)c(C)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826332929 607336360 /nfs/dbraw/zinc/33/63/60/607336360.db2.gz NFTAQVPMBMSVGF-UHFFFAOYSA-N -1 3 354.418 2.192 20 50 FEGDHM Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826299635 607337732 /nfs/dbraw/zinc/33/77/32/607337732.db2.gz NNXQVTAQYNUOOC-UHFFFAOYSA-N -1 3 367.438 2.115 20 50 FEGDHM Cc1cccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826299635 607337733 /nfs/dbraw/zinc/33/77/33/607337733.db2.gz NNXQVTAQYNUOOC-UHFFFAOYSA-N -1 3 367.438 2.115 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826448296 607338526 /nfs/dbraw/zinc/33/85/26/607338526.db2.gz PWANIRCAVVFAHL-STQMWFEESA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826448296 607338528 /nfs/dbraw/zinc/33/85/28/607338528.db2.gz PWANIRCAVVFAHL-STQMWFEESA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(F)c1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449178 607339855 /nfs/dbraw/zinc/33/98/55/607339855.db2.gz FRDFFLCACVFCPZ-MRXNPFEDSA-N -1 3 367.388 2.118 20 50 FEGDHM COCCCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826157088 607353919 /nfs/dbraw/zinc/35/39/19/607353919.db2.gz HKCHPOGKJRTACR-UHFFFAOYSA-N -1 3 368.397 2.039 20 50 FEGDHM O=C(CCOc1ccccc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408004 607355436 /nfs/dbraw/zinc/35/54/36/607355436.db2.gz LXXDDVMZDXBDGO-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(O)c(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826269513 607360350 /nfs/dbraw/zinc/36/03/50/607360350.db2.gz ONNXYGZFHRFCJN-NTUHNPAUSA-N -1 3 363.381 2.073 20 50 FEGDHM Cc1ccc(C)c(NNC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826285177 607388916 /nfs/dbraw/zinc/38/89/16/607388916.db2.gz RETHTDXXJNOVQX-CYBMUJFWSA-N -1 3 352.398 2.394 20 50 FEGDHM Cc1ccc(C)c(NNC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826285177 607388918 /nfs/dbraw/zinc/38/89/18/607388918.db2.gz RETHTDXXJNOVQX-CYBMUJFWSA-N -1 3 352.398 2.394 20 50 FEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(Br)nc1 ZINC000826249523 607462092 /nfs/dbraw/zinc/46/20/92/607462092.db2.gz GXVJIACOMBINGS-UHFFFAOYSA-N -1 3 374.202 2.090 20 50 FEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(Br)nc1 ZINC000826249523 607462093 /nfs/dbraw/zinc/46/20/93/607462093.db2.gz GXVJIACOMBINGS-UHFFFAOYSA-N -1 3 374.202 2.090 20 50 FEGDHM Cc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826281136 607713550 /nfs/dbraw/zinc/71/35/50/607713550.db2.gz GJVSKEVNFUFZSA-UHFFFAOYSA-N -1 3 356.411 2.343 20 50 FEGDHM Cc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826281136 607713552 /nfs/dbraw/zinc/71/35/52/607713552.db2.gz GJVSKEVNFUFZSA-UHFFFAOYSA-N -1 3 356.411 2.343 20 50 FEGDHM CC(C)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824065382 607716469 /nfs/dbraw/zinc/71/64/69/607716469.db2.gz ZGIOWFMSBKKQND-UHFFFAOYSA-N -1 3 367.369 2.196 20 50 FEGDHM CC(C)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000824065382 607716471 /nfs/dbraw/zinc/71/64/71/607716471.db2.gz ZGIOWFMSBKKQND-UHFFFAOYSA-N -1 3 367.369 2.196 20 50 FEGDHM Cc1cccc(OCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826300513 607717826 /nfs/dbraw/zinc/71/78/26/607717826.db2.gz XSIWPXUHKGPMRK-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM Cc1cccc(OCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826300513 607717828 /nfs/dbraw/zinc/71/78/28/607717828.db2.gz XSIWPXUHKGPMRK-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM O=C(CCOc1cccc(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407927 607722964 /nfs/dbraw/zinc/72/29/64/607722964.db2.gz IKCYMNZVHDDVTM-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM O=C(CCOc1cccc(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407927 607722966 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CCCCc1nnc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825296263 608804555 /nfs/dbraw/zinc/80/45/55/608804555.db2.gz AYDCFBNHISTJEW-UHFFFAOYSA-N -1 3 359.419 2.209 20 50 FEGDHM CCCCc1nnc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825296263 608804557 /nfs/dbraw/zinc/80/45/57/608804557.db2.gz AYDCFBNHISTJEW-UHFFFAOYSA-N -1 3 359.419 2.209 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(-n2cccn2)c1 ZINC000826448542 608807760 /nfs/dbraw/zinc/80/77/60/608807760.db2.gz ZFRRPYOZOHBMIN-UHFFFAOYSA-N -1 3 361.369 2.201 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-n2cccn2)c1 ZINC000826448542 608807765 /nfs/dbraw/zinc/80/77/65/608807765.db2.gz ZFRRPYOZOHBMIN-UHFFFAOYSA-N -1 3 361.369 2.201 20 50 FEGDHM CCn1ncc2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000825806734 608808788 /nfs/dbraw/zinc/80/87/88/608808788.db2.gz BSYGNBCLTDHIFF-UHFFFAOYSA-N -1 3 363.385 2.385 20 50 FEGDHM CCn1ncc2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000825806734 608808789 /nfs/dbraw/zinc/80/87/89/608808789.db2.gz 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O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1nnc(-c2ccco2)s1 ZINC000826448281 608807462 /nfs/dbraw/zinc/80/74/62/608807462.db2.gz PEYMXAWACVZPNU-UHFFFAOYSA-N -1 3 369.370 2.127 20 50 FEGDHM Cc1nc2c(s1)[C@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000826328423 609192632 /nfs/dbraw/zinc/19/26/32/609192632.db2.gz QTIDTDBSGSCOSC-CYBMUJFWSA-N -1 3 370.442 2.335 20 50 FEGDHM Cc1nc2c(s1)[C@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000826328423 609192633 /nfs/dbraw/zinc/19/26/33/609192633.db2.gz QTIDTDBSGSCOSC-CYBMUJFWSA-N -1 3 370.442 2.335 20 50 FEGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826273304 609263114 /nfs/dbraw/zinc/26/31/14/609263114.db2.gz XQCIJRDQOHITJA-UHFFFAOYSA-N -1 3 374.408 2.279 20 50 FEGDHM Cc1cccc(OCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826300391 607340941 /nfs/dbraw/zinc/34/09/41/607340941.db2.gz SWFQJPHUFZUJHO-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM CSc1ccc(O[C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826230811 607341633 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Cc1ccc(NNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826291777 607457452 /nfs/dbraw/zinc/45/74/52/607457452.db2.gz VREXNEQIFBKXFW-KRWDZBQOSA-N -1 3 363.425 2.287 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826447952 607714361 /nfs/dbraw/zinc/71/43/61/607714361.db2.gz BYETZFISUWBCTE-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826447952 607714363 /nfs/dbraw/zinc/71/43/63/607714363.db2.gz BYETZFISUWBCTE-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1OCC1CC1 ZINC000826448929 607721868 /nfs/dbraw/zinc/72/18/68/607721868.db2.gz SSPOVFMVMHKVPT-UHFFFAOYSA-N -1 3 350.382 2.412 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1OCC1CC1 ZINC000826448929 607721869 /nfs/dbraw/zinc/72/18/69/607721869.db2.gz SSPOVFMVMHKVPT-UHFFFAOYSA-N -1 3 350.382 2.412 20 50 FEGDHM C[C@@H](Oc1ccccc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824757446 607722045 /nfs/dbraw/zinc/72/20/45/607722045.db2.gz XCLWZQFCLSYSAW-SNVBAGLBSA-N -1 3 358.789 2.431 20 50 FEGDHM C[C@@H](Oc1ccccc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824757446 607722047 /nfs/dbraw/zinc/72/20/47/607722047.db2.gz XCLWZQFCLSYSAW-SNVBAGLBSA-N -1 3 358.789 2.431 20 50 FEGDHM CC(C)(C)n1ccnc1SCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824152742 607728727 /nfs/dbraw/zinc/72/87/27/607728727.db2.gz LIOUMJCOKMEVSA-UHFFFAOYSA-N -1 3 372.458 2.054 20 50 FEGDHM CC(C)(C)n1ccnc1SCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824152742 607728729 /nfs/dbraw/zinc/72/87/29/607728729.db2.gz LIOUMJCOKMEVSA-UHFFFAOYSA-N -1 3 372.458 2.054 20 50 FEGDHM O=C(Cc1csc(-c2ccoc2)n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826423729 607729838 /nfs/dbraw/zinc/72/98/38/607729838.db2.gz CZCZNELVYBIWNT-UHFFFAOYSA-N -1 3 367.394 2.269 20 50 FEGDHM O=C(Cc1csc(-c2ccoc2)n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826423729 607729840 /nfs/dbraw/zinc/72/98/40/607729840.db2.gz CZCZNELVYBIWNT-UHFFFAOYSA-N -1 3 367.394 2.269 20 50 FEGDHM O=C(NN=C1CCc2c1cc(F)cc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000826444858 607783468 /nfs/dbraw/zinc/78/34/68/607783468.db2.gz XLPGFDZGHOPGCZ-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM O=C(NN=C1CCc2c1cc(F)cc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000826444858 607783469 /nfs/dbraw/zinc/78/34/69/607783469.db2.gz XLPGFDZGHOPGCZ-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM CC1(C)CCC[C@@H](CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801381 607894078 /nfs/dbraw/zinc/89/40/78/607894078.db2.gz FBKBUOWISCTULD-LBPRGKRZSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCC[C@@H](CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801381 607894079 /nfs/dbraw/zinc/89/40/79/607894079.db2.gz FBKBUOWISCTULD-LBPRGKRZSA-N -1 3 356.430 2.234 20 50 FEGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379614 608213834 /nfs/dbraw/zinc/21/38/34/608213834.db2.gz WZBYVUKIZCSQHB-UVTDQMKNSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379614 608213836 /nfs/dbraw/zinc/21/38/36/608213836.db2.gz WZBYVUKIZCSQHB-UVTDQMKNSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1cccc2c1OCCO2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379452 608215820 /nfs/dbraw/zinc/21/58/20/608215820.db2.gz RZNFMHUDXGOFSK-XNTDXEJSSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1cccc2c1OCCO2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379452 608215821 /nfs/dbraw/zinc/21/58/21/608215821.db2.gz RZNFMHUDXGOFSK-XNTDXEJSSA-N -1 3 359.345 2.428 20 50 FEGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000824064395 608339990 /nfs/dbraw/zinc/33/99/90/608339990.db2.gz GKZISUCUHVHDKL-UHFFFAOYSA-N -1 3 356.430 2.234 20 50 FEGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000824064395 608339992 /nfs/dbraw/zinc/33/99/92/608339992.db2.gz GKZISUCUHVHDKL-UHFFFAOYSA-N -1 3 356.430 2.234 20 50 FEGDHM CC(C)Cn1ncc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000824285048 608545286 /nfs/dbraw/zinc/54/52/86/608545286.db2.gz UXVOFYSKPGGVJO-UHFFFAOYSA-N -1 3 366.429 2.354 20 50 FEGDHM CC(C)Cn1ncc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000824285048 608545287 /nfs/dbraw/zinc/54/52/87/608545287.db2.gz UXVOFYSKPGGVJO-UHFFFAOYSA-N -1 3 366.429 2.354 20 50 FEGDHM CC(C)Cc1nnc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000824280412 608802797 /nfs/dbraw/zinc/80/27/97/608802797.db2.gz MMULOQJUJVCZEX-UHFFFAOYSA-N -1 3 359.419 2.065 20 50 FEGDHM CC(C)Cc1nnc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000824280412 608802800 /nfs/dbraw/zinc/80/28/00/608802800.db2.gz MMULOQJUJVCZEX-UHFFFAOYSA-N -1 3 359.419 2.065 20 50 FEGDHM CCOc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825643067 608804496 /nfs/dbraw/zinc/80/44/96/608804496.db2.gz HKTABIJUNAVBGM-UHFFFAOYSA-N -1 3 369.385 2.423 20 50 FEGDHM CCOc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825643067 608804497 /nfs/dbraw/zinc/80/44/97/608804497.db2.gz HKTABIJUNAVBGM-UHFFFAOYSA-N -1 3 369.385 2.423 20 50 FEGDHM O=C(NN=C1CCOc2ccc(Cl)cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826444859 609470377 /nfs/dbraw/zinc/47/03/77/609470377.db2.gz XMOMKXMWKINGSD-UHFFFAOYSA-N -1 3 368.784 2.437 20 50 FEGDHM O=C(NN=C1CCOc2ccc(Cl)cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826444859 609470379 /nfs/dbraw/zinc/47/03/79/609470379.db2.gz XMOMKXMWKINGSD-UHFFFAOYSA-N -1 3 368.784 2.437 20 50 FEGDHM C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824867318 609551540 /nfs/dbraw/zinc/55/15/40/609551540.db2.gz PCNDFIPLWHZEHV-SMDDNHRTSA-N -1 3 356.430 2.090 20 50 FEGDHM C[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824867318 609551542 /nfs/dbraw/zinc/55/15/42/609551542.db2.gz PCNDFIPLWHZEHV-SMDDNHRTSA-N -1 3 356.430 2.090 20 50 FEGDHM Cn1c(Cl)c(Cl)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826355043 607340734 /nfs/dbraw/zinc/34/07/34/607340734.db2.gz HVUJGMVQSFNAIL-UHFFFAOYSA-N -1 3 352.185 2.269 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826446520 607346267 /nfs/dbraw/zinc/34/62/67/607346267.db2.gz OUYDQTMOUUVGLL-VXGBXAGGSA-N -1 3 356.336 2.392 20 50 FEGDHM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825875492 607347934 /nfs/dbraw/zinc/34/79/34/607347934.db2.gz RAKFZIDHLNIOOV-SJORKVTESA-N -1 3 363.425 2.180 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826446149 607356657 /nfs/dbraw/zinc/35/66/57/607356657.db2.gz BNJBEXJJBFRIKM-CHWSQXEVSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(Cc1cccc(Br)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423355 607356832 /nfs/dbraw/zinc/35/68/32/607356832.db2.gz LCAXQXPONIKOMJ-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM Cc1c(NNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826242895 607396160 /nfs/dbraw/zinc/39/61/60/607396160.db2.gz LDDYJDBKZHAHOO-UHFFFAOYSA-N -1 3 367.369 2.159 20 50 FEGDHM Cc1c(NNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826242895 607396162 /nfs/dbraw/zinc/39/61/62/607396162.db2.gz LDDYJDBKZHAHOO-UHFFFAOYSA-N -1 3 367.369 2.159 20 50 FEGDHM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826447759 607397254 /nfs/dbraw/zinc/39/72/54/607397254.db2.gz UYBJOWXVVQAZBS-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826447759 607397256 /nfs/dbraw/zinc/39/72/56/607397256.db2.gz UYBJOWXVVQAZBS-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM Cc1ccc(Cl)c(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826288860 607731146 /nfs/dbraw/zinc/73/11/46/607731146.db2.gz ZHPPFYWGNHBJMS-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM Cc1ccc(Cl)c(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826288860 607731148 /nfs/dbraw/zinc/73/11/48/607731148.db2.gz ZHPPFYWGNHBJMS-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM CC[C@@H](C)OCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825076662 607756076 /nfs/dbraw/zinc/75/60/76/607756076.db2.gz XHMGFTADHFLIQB-MRVPVSSYSA-N -1 3 358.324 2.144 20 50 FEGDHM CC[C@@H](C)OCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825076662 607756077 /nfs/dbraw/zinc/75/60/77/607756077.db2.gz XHMGFTADHFLIQB-MRVPVSSYSA-N -1 3 358.324 2.144 20 50 FEGDHM O=C(NNc1cccc(F)c1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823281536 606697728 /nfs/dbraw/zinc/69/77/28/606697728.db2.gz UMDZCYCAQAVQHL-UHFFFAOYSA-N -1 3 352.251 2.180 20 50 FEGDHM O=C(NNc1cccc(F)c1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823281536 606697729 /nfs/dbraw/zinc/69/77/29/606697729.db2.gz UMDZCYCAQAVQHL-UHFFFAOYSA-N -1 3 352.251 2.180 20 50 FEGDHM COc1ccc(CCNC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826192540 607884375 /nfs/dbraw/zinc/88/43/75/607884375.db2.gz RCPWRHQMIMQRPN-VBKFSLOCSA-N -1 3 374.404 2.141 20 50 FEGDHM COc1ccc(CCNC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826192540 607884376 /nfs/dbraw/zinc/88/43/76/607884376.db2.gz RCPWRHQMIMQRPN-VBKFSLOCSA-N -1 3 374.404 2.141 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC23CCCCC3)cc(-c2nnn[n-]2)n1C ZINC000826235701 608198236 /nfs/dbraw/zinc/19/82/36/608198236.db2.gz PHARFYKAXCBRKZ-SBNBMVPLSA-N -1 3 365.441 2.260 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC23CCCCC3)cc(-c2nn[n-]n2)n1C ZINC000826235701 608198238 /nfs/dbraw/zinc/19/82/38/608198238.db2.gz PHARFYKAXCBRKZ-SBNBMVPLSA-N -1 3 365.441 2.260 20 50 FEGDHM CC(=O)Nc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000823999704 608803670 /nfs/dbraw/zinc/80/36/70/608803670.db2.gz IDJPEALTWPISHB-UHFFFAOYSA-N -1 3 370.348 2.113 20 50 FEGDHM CC(=O)Nc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000823999704 608803672 /nfs/dbraw/zinc/80/36/72/608803672.db2.gz IDJPEALTWPISHB-UHFFFAOYSA-N -1 3 370.348 2.113 20 50 FEGDHM CC(C)Oc1ncccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824338159 608806919 /nfs/dbraw/zinc/80/69/19/608806919.db2.gz QWTRXHZUYLNYLX-UHFFFAOYSA-N -1 3 354.374 2.198 20 50 FEGDHM CC(C)Oc1ncccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824338159 608806920 /nfs/dbraw/zinc/80/69/20/608806920.db2.gz QWTRXHZUYLNYLX-UHFFFAOYSA-N -1 3 354.374 2.198 20 50 FEGDHM COc1cc(F)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826180067 608811489 /nfs/dbraw/zinc/81/14/89/608811489.db2.gz QVUMBUJADDRJDA-UHFFFAOYSA-N -1 3 373.348 2.172 20 50 FEGDHM COc1cc(F)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826180067 608811491 /nfs/dbraw/zinc/81/14/91/608811491.db2.gz QVUMBUJADDRJDA-UHFFFAOYSA-N -1 3 373.348 2.172 20 50 FEGDHM CC[C@H](C)Oc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825076205 609259984 /nfs/dbraw/zinc/25/99/84/609259984.db2.gz UNGGVXCEDYHVES-NSHDSACASA-N -1 3 353.386 2.196 20 50 FEGDHM CC(C)(C)c1ccc(NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824136628 609263217 /nfs/dbraw/zinc/26/32/17/609263217.db2.gz SCKCSCUBDVHAHB-INIZCTEOSA-N -1 3 366.425 2.341 20 50 FEGDHM CC(C)(C)c1ccc(NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824136628 609263218 /nfs/dbraw/zinc/26/32/18/609263218.db2.gz SCKCSCUBDVHAHB-INIZCTEOSA-N -1 3 366.425 2.341 20 50 FEGDHM CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953681 609273639 /nfs/dbraw/zinc/27/36/39/609273639.db2.gz LSSMDHNJVVKNQK-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953681 609273640 /nfs/dbraw/zinc/27/36/40/609273640.db2.gz LSSMDHNJVVKNQK-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM CC(=NNC(=O)COc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948799 609275277 /nfs/dbraw/zinc/27/52/77/609275277.db2.gz YRRSZNKAVMWXCS-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM CC(=NNC(=O)COc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948799 609275279 /nfs/dbraw/zinc/27/52/79/609275279.db2.gz YRRSZNKAVMWXCS-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM O=C(NN=Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826444379 609470076 /nfs/dbraw/zinc/47/00/76/609470076.db2.gz CYHXECSJEXWKJQ-UHFFFAOYSA-N -1 3 371.744 2.192 20 50 FEGDHM O=C(NN=Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826444379 609470079 /nfs/dbraw/zinc/47/00/79/609470079.db2.gz CYHXECSJEXWKJQ-UHFFFAOYSA-N -1 3 371.744 2.192 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2cccs2)n[nH]1 ZINC000826446236 607339379 /nfs/dbraw/zinc/33/93/79/607339379.db2.gz FBSUFWTYICPKDN-UHFFFAOYSA-N -1 3 352.383 2.075 20 50 FEGDHM O=C(Cc1ccc(OC(F)F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826422828 607349479 /nfs/dbraw/zinc/34/94/79/607349479.db2.gz NQOIUACBLXWRKY-UHFFFAOYSA-N -1 3 360.324 2.154 20 50 FEGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000826260093 607349136 /nfs/dbraw/zinc/34/91/36/607349136.db2.gz VRPWPFUXRGOSQJ-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM CSc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826230265 607349177 /nfs/dbraw/zinc/34/91/77/607349177.db2.gz LSYHRLYIDOPUFE-UHFFFAOYSA-N -1 3 371.382 2.254 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccc(F)cc2)on1 ZINC000826446290 607354616 /nfs/dbraw/zinc/35/46/16/607354616.db2.gz GMCCRAOTBMWLSQ-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235105 607362509 /nfs/dbraw/zinc/36/25/09/607362509.db2.gz BPUIQFKMQKPBDA-HCNJTKSQSA-N -1 3 368.319 2.162 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235105 607362511 /nfs/dbraw/zinc/36/25/11/607362511.db2.gz BPUIQFKMQKPBDA-HCNJTKSQSA-N -1 3 368.319 2.162 20 50 FEGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1CCC(C)C ZINC000826234541 607561561 /nfs/dbraw/zinc/56/15/61/607561561.db2.gz BIAMXDKANXWSFB-UHFFFAOYSA-N -1 3 354.418 2.175 20 50 FEGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNc1cccc(Br)c1 ZINC000826422158 607712190 /nfs/dbraw/zinc/71/21/90/607712190.db2.gz OAJDPGPFEOUFNI-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNc1cccc(Br)c1 ZINC000826422158 607712191 /nfs/dbraw/zinc/71/21/91/607712191.db2.gz OAJDPGPFEOUFNI-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM COc1ccccc1C(C)=CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826218640 607713292 /nfs/dbraw/zinc/71/32/92/607713292.db2.gz HUJZAYJHQLWZDY-ZRDIBKRKSA-N -1 3 350.382 2.422 20 50 FEGDHM COc1ccccc1C(C)=CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826218640 607713294 /nfs/dbraw/zinc/71/32/94/607713294.db2.gz HUJZAYJHQLWZDY-ZRDIBKRKSA-N -1 3 350.382 2.422 20 50 FEGDHM CCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000825632020 607718665 /nfs/dbraw/zinc/71/86/65/607718665.db2.gz JPIBAPJOAWAYGK-UHFFFAOYSA-N -1 3 354.370 2.031 20 50 FEGDHM CCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000825632020 607718667 /nfs/dbraw/zinc/71/86/67/607718667.db2.gz JPIBAPJOAWAYGK-UHFFFAOYSA-N -1 3 354.370 2.031 20 50 FEGDHM O=C(NNc1ccc(F)c(F)c1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823281224 606696824 /nfs/dbraw/zinc/69/68/24/606696824.db2.gz OQRVNEPOFJTPIU-UHFFFAOYSA-N -1 3 370.241 2.319 20 50 FEGDHM O=C(NNc1ccc(F)c(F)c1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823281224 606696825 /nfs/dbraw/zinc/69/68/25/606696825.db2.gz OQRVNEPOFJTPIU-UHFFFAOYSA-N -1 3 370.241 2.319 20 50 FEGDHM COc1cc(Cl)ccc1C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826179700 607886359 /nfs/dbraw/zinc/88/63/59/607886359.db2.gz AGBLZHIAHNGNSJ-UHFFFAOYSA-N -1 3 356.773 2.293 20 50 FEGDHM COc1cc(Cl)ccc1C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826179700 607886360 /nfs/dbraw/zinc/88/63/60/607886360.db2.gz AGBLZHIAHNGNSJ-UHFFFAOYSA-N -1 3 356.773 2.293 20 50 FEGDHM C[C@@H](C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824385043 607930875 /nfs/dbraw/zinc/93/08/75/607930875.db2.gz KJPAWSAIQIXYTL-LBPRGKRZSA-N -1 3 368.372 2.290 20 50 FEGDHM CS[C@H](C)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826225131 607942985 /nfs/dbraw/zinc/94/29/85/607942985.db2.gz UGMPPKSQXSOSOW-SSDOTTSWSA-N -1 3 360.365 2.470 20 50 FEGDHM CS[C@H](C)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826225131 607942986 /nfs/dbraw/zinc/94/29/86/607942986.db2.gz UGMPPKSQXSOSOW-SSDOTTSWSA-N -1 3 360.365 2.470 20 50 FEGDHM O=C(NNC(=O)c1cccc(-c2ccoc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445555 608026249 /nfs/dbraw/zinc/02/62/49/608026249.db2.gz YRQRNRUSIIRQKW-UHFFFAOYSA-N -1 3 374.360 2.202 20 50 FEGDHM O=C(NNC(=O)c1cccc(-c2ccoc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445555 608026250 /nfs/dbraw/zinc/02/62/50/608026250.db2.gz YRQRNRUSIIRQKW-UHFFFAOYSA-N -1 3 374.360 2.202 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2cccnc2)s1 ZINC000826449109 608075036 /nfs/dbraw/zinc/07/50/36/608075036.db2.gz BXXDPSGWXGEVLM-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2cccnc2)s1 ZINC000826449109 608075037 /nfs/dbraw/zinc/07/50/37/608075037.db2.gz BXXDPSGWXGEVLM-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC23CCCCC3)cc(-c2nnn[n-]2)n1C ZINC000826235702 608198628 /nfs/dbraw/zinc/19/86/28/608198628.db2.gz PHARFYKAXCBRKZ-VCHSTOLQSA-N -1 3 365.441 2.260 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC23CCCCC3)cc(-c2nn[n-]n2)n1C ZINC000826235702 608198630 /nfs/dbraw/zinc/19/86/30/608198630.db2.gz PHARFYKAXCBRKZ-VCHSTOLQSA-N -1 3 365.441 2.260 20 50 FEGDHM N#CC(=Cc1cnc2ccc(C#N)cn12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379615 608215901 /nfs/dbraw/zinc/21/59/01/608215901.db2.gz XANJWTQQUKYJGE-CHHVJCJISA-N -1 3 366.344 2.176 20 50 FEGDHM N#CC(=Cc1cnc2ccc(C#N)cn12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379615 608215902 /nfs/dbraw/zinc/21/59/02/608215902.db2.gz XANJWTQQUKYJGE-CHHVJCJISA-N -1 3 366.344 2.176 20 50 FEGDHM CC1=CCC[C@H](C)[C@H]1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824851551 608289350 /nfs/dbraw/zinc/28/93/50/608289350.db2.gz AHLFGHAVHJLMOH-BBRMVZONSA-N -1 3 354.414 2.340 20 50 FEGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826290833 608801946 /nfs/dbraw/zinc/80/19/46/608801946.db2.gz BVQKNMVHXKWPAX-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826290833 608801950 /nfs/dbraw/zinc/80/19/50/608801950.db2.gz BVQKNMVHXKWPAX-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM CN1CCCc2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826033399 608808152 /nfs/dbraw/zinc/80/81/52/608808152.db2.gz CEUFJDAGQGQROJ-UHFFFAOYSA-N -1 3 364.413 2.398 20 50 FEGDHM CN1CCCc2cc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826033399 608808155 /nfs/dbraw/zinc/80/81/55/608808155.db2.gz CEUFJDAGQGQROJ-UHFFFAOYSA-N -1 3 364.413 2.398 20 50 FEGDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ncccc1Cl ZINC000826186342 608809285 /nfs/dbraw/zinc/80/92/85/608809285.db2.gz OGRAAARGBPVVHO-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ncccc1Cl ZINC000826186342 608809288 /nfs/dbraw/zinc/80/92/88/608809288.db2.gz OGRAAARGBPVVHO-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948699 609276322 /nfs/dbraw/zinc/27/63/22/609276322.db2.gz UOCUZYSNYPKICC-UHFFFAOYSA-N -1 3 368.372 2.184 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948699 609276324 /nfs/dbraw/zinc/27/63/24/609276324.db2.gz UOCUZYSNYPKICC-UHFFFAOYSA-N -1 3 368.372 2.184 20 50 FEGDHM CCc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825704994 609286719 /nfs/dbraw/zinc/28/67/19/609286719.db2.gz SVCTUJKQLRQTHA-UHFFFAOYSA-N -1 3 370.800 2.157 20 50 FEGDHM CCc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825704994 609286720 /nfs/dbraw/zinc/28/67/20/609286720.db2.gz SVCTUJKQLRQTHA-UHFFFAOYSA-N -1 3 370.800 2.157 20 50 FEGDHM CC(=Cc1ccc(C)cc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823943988 609450233 /nfs/dbraw/zinc/45/02/33/609450233.db2.gz WOGUFIJUQWCPSL-RAXLEYEMSA-N -1 3 362.393 2.040 20 50 FEGDHM CC(=Cc1ccc(C)cc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823943988 609450234 /nfs/dbraw/zinc/45/02/34/609450234.db2.gz WOGUFIJUQWCPSL-RAXLEYEMSA-N -1 3 362.393 2.040 20 50 FEGDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826422632 607334968 /nfs/dbraw/zinc/33/49/68/607334968.db2.gz GSZOSUIMIRTLSE-UHFFFAOYSA-N -1 3 373.760 2.114 20 50 FEGDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826422632 607334969 /nfs/dbraw/zinc/33/49/69/607334969.db2.gz GSZOSUIMIRTLSE-UHFFFAOYSA-N -1 3 373.760 2.114 20 50 FEGDHM COc1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826190907 607335815 /nfs/dbraw/zinc/33/58/15/607335815.db2.gz QNDJTNWEQFVZSK-CLFYSBASSA-N -1 3 366.381 2.040 20 50 FEGDHM COc1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826190907 607335817 /nfs/dbraw/zinc/33/58/17/607335817.db2.gz QNDJTNWEQFVZSK-CLFYSBASSA-N -1 3 366.381 2.040 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826448293 607338367 /nfs/dbraw/zinc/33/83/67/607338367.db2.gz PWANIRCAVVFAHL-CHWSQXEVSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000826448293 607338370 /nfs/dbraw/zinc/33/83/70/607338370.db2.gz PWANIRCAVVFAHL-CHWSQXEVSA-N -1 3 356.336 2.392 20 50 FEGDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826340800 607342083 /nfs/dbraw/zinc/34/20/83/607342083.db2.gz LPWZCHNYHUGSQC-UHFFFAOYSA-N -1 3 374.364 2.187 20 50 FEGDHM Cc1cnn(-c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000826319467 607345870 /nfs/dbraw/zinc/34/58/70/607345870.db2.gz DXVLYYDCWNULCJ-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1nn(CC(C)C)c(C)c1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826334287 607351778 /nfs/dbraw/zinc/35/17/78/607351778.db2.gz OXTHGFDXPOCRQU-UHFFFAOYSA-N -1 3 368.445 2.022 20 50 FEGDHM COc1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826191626 607352611 /nfs/dbraw/zinc/35/26/11/607352611.db2.gz LNKPJQLEMNXCFH-UHFFFAOYSA-N -1 3 356.361 2.090 20 50 FEGDHM Cc1c(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826242786 607395954 /nfs/dbraw/zinc/39/59/54/607395954.db2.gz GGIQBHGUFNLBBE-KTKRTIGZSA-N -1 3 365.353 2.240 20 50 FEGDHM Cc1c(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826242786 607395955 /nfs/dbraw/zinc/39/59/55/607395955.db2.gz GGIQBHGUFNLBBE-KTKRTIGZSA-N -1 3 365.353 2.240 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826448974 607728613 /nfs/dbraw/zinc/72/86/13/607728613.db2.gz VWXGINUWRKGUPR-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000826448974 607728614 /nfs/dbraw/zinc/72/86/14/607728614.db2.gz VWXGINUWRKGUPR-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM O=C(CCCOCc1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406428 607731914 /nfs/dbraw/zinc/73/19/14/607731914.db2.gz WVVINYAPXIUIPP-UHFFFAOYSA-N -1 3 352.398 2.307 20 50 FEGDHM O=C(CCCOCc1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406428 607731915 /nfs/dbraw/zinc/73/19/15/607731915.db2.gz WVVINYAPXIUIPP-UHFFFAOYSA-N -1 3 352.398 2.307 20 50 FEGDHM CCCN(CCC)C(=O)CCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825313586 607733179 /nfs/dbraw/zinc/73/31/79/607733179.db2.gz LHKHJWGLCHRDBF-UHFFFAOYSA-N -1 3 373.461 2.129 20 50 FEGDHM CCCN(CCC)C(=O)CCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825313586 607733180 /nfs/dbraw/zinc/73/31/80/607733180.db2.gz LHKHJWGLCHRDBF-UHFFFAOYSA-N -1 3 373.461 2.129 20 50 FEGDHM Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826300323 607882926 /nfs/dbraw/zinc/88/29/26/607882926.db2.gz PPWUVKXNNFMQPU-CQSZACIVSA-N -1 3 364.409 2.401 20 50 FEGDHM Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826300323 607882927 /nfs/dbraw/zinc/88/29/27/607882927.db2.gz PPWUVKXNNFMQPU-CQSZACIVSA-N -1 3 364.409 2.401 20 50 FEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C[C@H]1C[C@@H]1c1ccccc1 ZINC000826417214 607882962 /nfs/dbraw/zinc/88/29/62/607882962.db2.gz IUUDOYZDOFBQCQ-NVXWUHKLSA-N -1 3 362.393 2.151 20 50 FEGDHM CC(=NNC(=O)CCOc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948223 608094231 /nfs/dbraw/zinc/09/42/31/608094231.db2.gz IAPBWTMVXSLFJJ-UHFFFAOYSA-N -1 3 356.411 2.238 20 50 FEGDHM N#CC(=Cc1cnc2ccc(C#N)cn12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379616 608215737 /nfs/dbraw/zinc/21/57/37/608215737.db2.gz XANJWTQQUKYJGE-VIZOYTHASA-N -1 3 366.344 2.176 20 50 FEGDHM N#CC(=Cc1cnc2ccc(C#N)cn12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379616 608215738 /nfs/dbraw/zinc/21/57/38/608215738.db2.gz XANJWTQQUKYJGE-VIZOYTHASA-N -1 3 366.344 2.176 20 50 FEGDHM CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824853123 608289873 /nfs/dbraw/zinc/28/98/73/608289873.db2.gz WFEVYYAYAMVEQP-HIFRSBDPSA-N -1 3 354.414 2.340 20 50 FEGDHM CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824853123 608289875 /nfs/dbraw/zinc/28/98/75/608289875.db2.gz WFEVYYAYAMVEQP-HIFRSBDPSA-N -1 3 354.414 2.340 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cc(C)ccc32)cc(-c2nnn[n-]2)n1C ZINC000826294540 608331706 /nfs/dbraw/zinc/33/17/06/608331706.db2.gz UQKHFMKEIODCLD-SXGWCWSVSA-N -1 3 373.420 2.318 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cc(C)ccc32)cc(-c2nn[n-]n2)n1C ZINC000826294540 608331708 /nfs/dbraw/zinc/33/17/08/608331708.db2.gz UQKHFMKEIODCLD-SXGWCWSVSA-N -1 3 373.420 2.318 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000826447896 608805163 /nfs/dbraw/zinc/80/51/63/608805163.db2.gz AISPWFJOFWAUQQ-UHFFFAOYSA-N -1 3 367.369 2.177 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000826447896 608805166 /nfs/dbraw/zinc/80/51/66/608805166.db2.gz AISPWFJOFWAUQQ-UHFFFAOYSA-N -1 3 367.369 2.177 20 50 FEGDHM CC(C)C[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824235138 609282611 /nfs/dbraw/zinc/28/26/11/609282611.db2.gz CMDSJBZRJWRVPU-HIFRSBDPSA-N -1 3 359.434 2.087 20 50 FEGDHM CC(C)C[C@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824235138 609282613 /nfs/dbraw/zinc/28/26/13/609282613.db2.gz CMDSJBZRJWRVPU-HIFRSBDPSA-N -1 3 359.434 2.087 20 50 FEGDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NNc1ccnc(F)c1 ZINC000826406427 609301260 /nfs/dbraw/zinc/30/12/60/609301260.db2.gz WVLUTFXIDVZRKZ-UHFFFAOYSA-N -1 3 371.376 2.093 20 50 FEGDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NNc1ccnc(F)c1 ZINC000826406427 609301261 /nfs/dbraw/zinc/30/12/61/609301261.db2.gz WVLUTFXIDVZRKZ-UHFFFAOYSA-N -1 3 371.376 2.093 20 50 FEGDHM C[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499022 609439543 /nfs/dbraw/zinc/43/95/43/609439543.db2.gz MKAPAZLWZZLBGX-SECBINFHSA-N -1 3 358.793 2.302 20 50 FEGDHM C[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499022 609439546 /nfs/dbraw/zinc/43/95/46/609439546.db2.gz MKAPAZLWZZLBGX-SECBINFHSA-N -1 3 358.793 2.302 20 50 FEGDHM O=C(NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)C(F)F ZINC000826444577 609451604 /nfs/dbraw/zinc/45/16/04/609451604.db2.gz LYMNLJCRJIPGFI-UHFFFAOYSA-N -1 3 372.335 2.161 20 50 FEGDHM O=C(NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)C(F)F ZINC000826444577 609451605 /nfs/dbraw/zinc/45/16/05/609451605.db2.gz LYMNLJCRJIPGFI-UHFFFAOYSA-N -1 3 372.335 2.161 20 50 FEGDHM Cc1csc(NC(=O)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826321293 609498135 /nfs/dbraw/zinc/49/81/35/609498135.db2.gz ZHBVTDPPASBODC-UHFFFAOYSA-N -1 3 350.795 2.434 20 50 FEGDHM Cc1csc(NC(=O)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826321293 609498137 /nfs/dbraw/zinc/49/81/37/609498137.db2.gz ZHBVTDPPASBODC-UHFFFAOYSA-N -1 3 350.795 2.434 20 50 FEGDHM CCCOc1ccc(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825342207 607335828 /nfs/dbraw/zinc/33/58/28/607335828.db2.gz REQJZEOCQCHAGF-UHFFFAOYSA-N -1 3 368.397 2.178 20 50 FEGDHM CCCOc1ccc(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825342207 607335830 /nfs/dbraw/zinc/33/58/30/607335830.db2.gz REQJZEOCQCHAGF-UHFFFAOYSA-N -1 3 368.397 2.178 20 50 FEGDHM O=C(CCc1cnn(-c2ccccc2)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409066 607339553 /nfs/dbraw/zinc/33/95/53/607339553.db2.gz HBLWDNXEIWDZEP-UHFFFAOYSA-N -1 3 374.408 2.128 20 50 FEGDHM COc1ccccc1C(C)=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826218612 607340497 /nfs/dbraw/zinc/34/04/97/607340497.db2.gz HIJJLGDKCQSOMI-VAWYXSNFSA-N -1 3 350.382 2.422 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1SCCc2ccccc21 ZINC000826446222 607343259 /nfs/dbraw/zinc/34/32/59/607343259.db2.gz DNDBQFZWQNGUNI-HNNXBMFYSA-N -1 3 352.423 2.340 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1CC(OCc2ccccc2)C1 ZINC000826446502 607352106 /nfs/dbraw/zinc/35/21/06/607352106.db2.gz OFDBXOXOCXZVNM-UHFFFAOYSA-N -1 3 364.409 2.305 20 50 FEGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1OC(C)C ZINC000826176930 607352626 /nfs/dbraw/zinc/35/26/26/607352626.db2.gz KHZOXMWXDRCULO-UHFFFAOYSA-N -1 3 368.397 2.419 20 50 FEGDHM Cc1ccc(Cl)c(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826288490 607352735 /nfs/dbraw/zinc/35/27/35/607352735.db2.gz JFNAFVMVNXTEPI-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000826446152 607356653 /nfs/dbraw/zinc/35/66/53/607356653.db2.gz BNJBEXJJBFRIKM-STQMWFEESA-N -1 3 356.336 2.392 20 50 FEGDHM CCCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(C)=O ZINC000825348301 607720684 /nfs/dbraw/zinc/72/06/84/607720684.db2.gz FPBJJUYUPRETRN-UHFFFAOYSA-N -1 3 367.413 2.415 20 50 FEGDHM CCCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(C)=O ZINC000825348301 607720686 /nfs/dbraw/zinc/72/06/86/607720686.db2.gz FPBJJUYUPRETRN-UHFFFAOYSA-N -1 3 367.413 2.415 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Nc2ncccn2)c1 ZINC000826448887 607726845 /nfs/dbraw/zinc/72/68/45/607726845.db2.gz QQBDTEHAVWDUGU-UHFFFAOYSA-N -1 3 373.380 2.157 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Nc2ncccn2)c1 ZINC000826448887 607726846 /nfs/dbraw/zinc/72/68/46/607726846.db2.gz QQBDTEHAVWDUGU-UHFFFAOYSA-N -1 3 373.380 2.157 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826448273 607730596 /nfs/dbraw/zinc/73/05/96/607730596.db2.gz ONPOEOMLCLQQMR-STQMWFEESA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000826448273 607730598 /nfs/dbraw/zinc/73/05/98/607730598.db2.gz ONPOEOMLCLQQMR-STQMWFEESA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1ccc(F)c(Cl)c1 ZINC000826419036 607883039 /nfs/dbraw/zinc/88/30/39/607883039.db2.gz GVZXNQGBEHUKLJ-UHFFFAOYSA-N -1 3 374.763 2.188 20 50 FEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1ccc(F)c(Cl)c1 ZINC000826419036 607883040 /nfs/dbraw/zinc/88/30/40/607883040.db2.gz GVZXNQGBEHUKLJ-UHFFFAOYSA-N -1 3 374.763 2.188 20 50 FEGDHM CCc1ccccc1OCC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000825728736 608092010 /nfs/dbraw/zinc/09/20/10/608092010.db2.gz XVRPFRJLBOZMCK-UHFFFAOYSA-N -1 3 370.438 2.410 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826448193 608108064 /nfs/dbraw/zinc/10/80/64/608108064.db2.gz LKDOTXLKASVDGL-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826448193 608108065 /nfs/dbraw/zinc/10/80/65/608108065.db2.gz LKDOTXLKASVDGL-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)c1cccc(C#N)c1 ZINC000826379492 608215906 /nfs/dbraw/zinc/21/59/06/608215906.db2.gz SXFKYVZHQIFHLL-CHHVJCJISA-N -1 3 366.344 2.176 20 50 FEGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)c1cccc(C#N)c1 ZINC000826379492 608215908 /nfs/dbraw/zinc/21/59/08/608215908.db2.gz SXFKYVZHQIFHLL-CHHVJCJISA-N -1 3 366.344 2.176 20 50 FEGDHM CCc1cnccc1[C@@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825735742 608358526 /nfs/dbraw/zinc/35/85/26/608358526.db2.gz UIHSPAADUDYPOX-LLVKDONJSA-N -1 3 352.402 2.211 20 50 FEGDHM CCc1cnccc1[C@@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825735742 608358527 /nfs/dbraw/zinc/35/85/27/608358527.db2.gz UIHSPAADUDYPOX-LLVKDONJSA-N -1 3 352.402 2.211 20 50 FEGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826273065 609262994 /nfs/dbraw/zinc/26/29/94/609262994.db2.gz ODDVYLCKQDEGOY-UHFFFAOYSA-N -1 3 359.393 2.409 20 50 FEGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826273065 609262995 /nfs/dbraw/zinc/26/29/95/609262995.db2.gz ODDVYLCKQDEGOY-UHFFFAOYSA-N -1 3 359.393 2.409 20 50 FEGDHM CC(=NNC(=O)COc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948071 609274896 /nfs/dbraw/zinc/27/48/96/609274896.db2.gz CKZAKTVHVVWBEZ-UHFFFAOYSA-N -1 3 368.372 2.233 20 50 FEGDHM CC(=NNC(=O)COc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948071 609274898 /nfs/dbraw/zinc/27/48/98/609274898.db2.gz CKZAKTVHVVWBEZ-UHFFFAOYSA-N -1 3 368.372 2.233 20 50 FEGDHM COCCC[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826155148 609390932 /nfs/dbraw/zinc/39/09/32/609390932.db2.gz IKHHZJIVDRISSF-VIFPVBQESA-N -1 3 372.351 2.391 20 50 FEGDHM COCCC[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826155148 609390935 /nfs/dbraw/zinc/39/09/35/609390935.db2.gz IKHHZJIVDRISSF-VIFPVBQESA-N -1 3 372.351 2.391 20 50 FEGDHM O=C(NN=C1CCOc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444489 609468151 /nfs/dbraw/zinc/46/81/51/609468151.db2.gz JDKCQYHXVOXJAD-UHFFFAOYSA-N -1 3 368.784 2.437 20 50 FEGDHM O=C(NN=C1CCOc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444489 609468152 /nfs/dbraw/zinc/46/81/52/609468152.db2.gz JDKCQYHXVOXJAD-UHFFFAOYSA-N -1 3 368.784 2.437 20 50 FEGDHM CC(C)c1noc2ncc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000824371944 607334993 /nfs/dbraw/zinc/33/49/93/607334993.db2.gz ZUYVCUGQSVCYJE-UHFFFAOYSA-N -1 3 364.369 2.283 20 50 FEGDHM CC(C)c1noc2ncc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000824371944 607334995 /nfs/dbraw/zinc/33/49/95/607334995.db2.gz ZUYVCUGQSVCYJE-UHFFFAOYSA-N -1 3 364.369 2.283 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000826447007 607344974 /nfs/dbraw/zinc/34/49/74/607344974.db2.gz JAVXDCVVRGICRG-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(COc1ccc(F)c(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826417703 607346998 /nfs/dbraw/zinc/34/69/98/607346998.db2.gz AWZGUUATWIZESK-UHFFFAOYSA-N -1 3 362.752 2.181 20 50 FEGDHM O=C(Cc1ccccc1OC(F)F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423992 607347233 /nfs/dbraw/zinc/34/72/33/607347233.db2.gz QTYUHNRUYNKTPU-UHFFFAOYSA-N -1 3 360.324 2.154 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sccc1Br ZINC000826447803 607347613 /nfs/dbraw/zinc/34/76/13/607347613.db2.gz WSTVYNPWCITGCJ-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(C[C@H]1OCCc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404845 607354297 /nfs/dbraw/zinc/35/42/97/607354297.db2.gz MZYPTBDROKFUMU-MRXNPFEDSA-N -1 3 350.382 2.014 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000826235106 607362551 /nfs/dbraw/zinc/36/25/51/607362551.db2.gz BPUIQFKMQKPBDA-ORMNHXAVSA-N -1 3 368.319 2.162 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H](C)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000826235106 607362553 /nfs/dbraw/zinc/36/25/53/607362553.db2.gz BPUIQFKMQKPBDA-ORMNHXAVSA-N -1 3 368.319 2.162 20 50 FEGDHM C[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000824384647 607716847 /nfs/dbraw/zinc/71/68/47/607716847.db2.gz FRIZHFYVTGQOQL-LBPRGKRZSA-N -1 3 350.382 2.219 20 50 FEGDHM C[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000824384647 607716849 /nfs/dbraw/zinc/71/68/49/607716849.db2.gz FRIZHFYVTGQOQL-LBPRGKRZSA-N -1 3 350.382 2.219 20 50 FEGDHM CC(C)C(=O)Nc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824185067 607718148 /nfs/dbraw/zinc/71/81/48/607718148.db2.gz QIKYNBJLVRXGHY-UHFFFAOYSA-N -1 3 365.397 2.218 20 50 FEGDHM CC(C)C(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824185067 607718150 /nfs/dbraw/zinc/71/81/50/607718150.db2.gz QIKYNBJLVRXGHY-UHFFFAOYSA-N -1 3 365.397 2.218 20 50 FEGDHM O=C(C[C@@H]1CCOc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404937 607720992 /nfs/dbraw/zinc/72/09/92/607720992.db2.gz QKTOJLLFQFJILB-LBPRGKRZSA-N -1 3 350.382 2.266 20 50 FEGDHM O=C(C[C@@H]1CCOc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404937 607720994 /nfs/dbraw/zinc/72/09/94/607720994.db2.gz QKTOJLLFQFJILB-LBPRGKRZSA-N -1 3 350.382 2.266 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826448577 607725407 /nfs/dbraw/zinc/72/54/07/607725407.db2.gz AYKBECQFYTUZEI-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826448577 607725409 /nfs/dbraw/zinc/72/54/09/607725409.db2.gz AYKBECQFYTUZEI-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM CC(C)CC(=O)NNC(=O)[C@H](C)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833472293 605183733 /nfs/dbraw/zinc/18/37/33/605183733.db2.gz AHZDRJUOFHKISM-XJKSGUPXSA-N -1 3 363.458 2.010 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)NCC2(C3CC3)CCC2)cc(-c2nnn[n-]2)n1C ZINC000826235986 607763113 /nfs/dbraw/zinc/76/31/13/607763113.db2.gz WFASEJBBHXBTIZ-RIYZIHGNSA-N -1 3 365.441 2.117 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)NCC2(C3CC3)CCC2)cc(-c2nn[n-]n2)n1C ZINC000826235986 607763114 /nfs/dbraw/zinc/76/31/14/607763114.db2.gz WFASEJBBHXBTIZ-RIYZIHGNSA-N -1 3 365.441 2.117 20 50 FEGDHM O=C(NNc1ccc(F)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823281694 606696782 /nfs/dbraw/zinc/69/67/82/606696782.db2.gz WBUJRZAPAVQFAU-UHFFFAOYSA-N -1 3 352.251 2.180 20 50 FEGDHM O=C(NNc1ccc(F)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823281694 606696783 /nfs/dbraw/zinc/69/67/83/606696783.db2.gz WBUJRZAPAVQFAU-UHFFFAOYSA-N -1 3 352.251 2.180 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C[C@@H]1C[C@H]1c1ccccc1 ZINC000826418962 607883045 /nfs/dbraw/zinc/88/30/45/607883045.db2.gz DBZXRIHOWWYQSO-HOCLYGCPSA-N -1 3 362.393 2.151 20 50 FEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C[C@@H]1C[C@H]1c1ccccc1 ZINC000826418962 607883046 /nfs/dbraw/zinc/88/30/46/607883046.db2.gz DBZXRIHOWWYQSO-HOCLYGCPSA-N -1 3 362.393 2.151 20 50 FEGDHM N#CC(=Cc1cn(-c2ccccc2)nn1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378964 608213557 /nfs/dbraw/zinc/21/35/57/608213557.db2.gz FZNDSRSWZJDLCM-GDNBJRDFSA-N -1 3 368.360 2.237 20 50 FEGDHM N#CC(=Cc1cn(-c2ccccc2)nn1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378964 608213559 /nfs/dbraw/zinc/21/35/59/608213559.db2.gz FZNDSRSWZJDLCM-GDNBJRDFSA-N -1 3 368.360 2.237 20 50 FEGDHM COCc1cnc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826165174 608216445 /nfs/dbraw/zinc/21/64/45/608216445.db2.gz IUJDUCAJWWJKBX-WUXMJOGZSA-N -1 3 352.379 2.259 20 50 FEGDHM COCc1cnc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826165174 608216447 /nfs/dbraw/zinc/21/64/47/608216447.db2.gz IUJDUCAJWWJKBX-WUXMJOGZSA-N -1 3 352.379 2.259 20 50 FEGDHM CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824851566 608289203 /nfs/dbraw/zinc/28/92/03/608289203.db2.gz AHLFGHAVHJLMOH-CZUORRHYSA-N -1 3 354.414 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(Oc2ccccc2)cn1 ZINC000826449480 608319589 /nfs/dbraw/zinc/31/95/89/608319589.db2.gz VHGMCSCZLVRCHD-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(Oc2ccccc2)cn1 ZINC000826449480 608319591 /nfs/dbraw/zinc/31/95/91/608319591.db2.gz VHGMCSCZLVRCHD-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM CC(=NNC(=O)COc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948408 609157147 /nfs/dbraw/zinc/15/71/47/609157147.db2.gz LFGILIUVQPTMAD-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM CC(=NNC(=O)COc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948408 609157148 /nfs/dbraw/zinc/15/71/48/609157148.db2.gz LFGILIUVQPTMAD-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM Cc1nc2c(s1)[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CCC2 ZINC000826328424 609192657 /nfs/dbraw/zinc/19/26/57/609192657.db2.gz QTIDTDBSGSCOSC-ZDUSSCGKSA-N -1 3 370.442 2.335 20 50 FEGDHM Cc1nc2c(s1)[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CCC2 ZINC000826328424 609192658 /nfs/dbraw/zinc/19/26/58/609192658.db2.gz QTIDTDBSGSCOSC-ZDUSSCGKSA-N -1 3 370.442 2.335 20 50 FEGDHM COc1ccc(S[C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826211433 607335795 /nfs/dbraw/zinc/33/57/95/607335795.db2.gz CROFBFDXDAJMHL-LLVKDONJSA-N -1 3 370.438 2.499 20 50 FEGDHM COc1ccc(S[C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826211433 607335797 /nfs/dbraw/zinc/33/57/97/607335797.db2.gz CROFBFDXDAJMHL-LLVKDONJSA-N -1 3 370.438 2.499 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826448295 607338594 /nfs/dbraw/zinc/33/85/94/607338594.db2.gz PWANIRCAVVFAHL-QWHCGFSZSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000826448295 607338596 /nfs/dbraw/zinc/33/85/96/607338596.db2.gz PWANIRCAVVFAHL-QWHCGFSZSA-N -1 3 356.336 2.392 20 50 FEGDHM CC[C@H](Oc1ccccc1F)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825160089 607341662 /nfs/dbraw/zinc/34/16/62/607341662.db2.gz XPHAOUFUWUVEIA-AWEZNQCLSA-N -1 3 356.361 2.307 20 50 FEGDHM CCCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000825348127 607345621 /nfs/dbraw/zinc/34/56/21/607345621.db2.gz CWVORLFRAQSVID-UHFFFAOYSA-N -1 3 367.413 2.415 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000826446237 607347202 /nfs/dbraw/zinc/34/72/02/607347202.db2.gz FCTRWZRFULDTPU-GFCCVEGCSA-N -1 3 370.800 2.215 20 50 FEGDHM Cc1ccc(OCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000826292348 607349244 /nfs/dbraw/zinc/34/92/44/607349244.db2.gz RHAFFNXQRHBBGW-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000826446150 607356861 /nfs/dbraw/zinc/35/68/61/607356861.db2.gz BNJBEXJJBFRIKM-OLZOCXBDSA-N -1 3 356.336 2.392 20 50 FEGDHM Cc1cc(F)ccc1NNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826268864 607392941 /nfs/dbraw/zinc/39/29/41/607392941.db2.gz QJOURSREEMJBKK-LLVKDONJSA-N -1 3 356.361 2.225 20 50 FEGDHM Cc1cc(F)ccc1NNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826268864 607392942 /nfs/dbraw/zinc/39/29/42/607392942.db2.gz QJOURSREEMJBKK-LLVKDONJSA-N -1 3 356.361 2.225 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1(O)CCCCC1 ZINC000826446565 607395248 /nfs/dbraw/zinc/39/52/48/607395248.db2.gz QKIYDRDZCPHARA-UHFFFAOYSA-N -1 3 370.335 2.024 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1(O)CCCCC1 ZINC000826446565 607395249 /nfs/dbraw/zinc/39/52/49/607395249.db2.gz QKIYDRDZCPHARA-UHFFFAOYSA-N -1 3 370.335 2.024 20 50 FEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826249852 607396267 /nfs/dbraw/zinc/39/62/67/607396267.db2.gz YDYJVRVLLSHVBM-UHFFFAOYSA-N -1 3 373.760 2.494 20 50 FEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826249852 607396269 /nfs/dbraw/zinc/39/62/69/607396269.db2.gz YDYJVRVLLSHVBM-UHFFFAOYSA-N -1 3 373.760 2.494 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1C ZINC000826305605 607722291 /nfs/dbraw/zinc/72/22/91/607722291.db2.gz CKDZGRHTVCAVJJ-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1C ZINC000826305605 607722293 /nfs/dbraw/zinc/72/22/93/607722293.db2.gz CKDZGRHTVCAVJJ-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1cccc(C)c1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826296942 607882768 /nfs/dbraw/zinc/88/27/68/607882768.db2.gz PFJDCNQGFQATDM-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM CC(=O)NNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823993859 608057398 /nfs/dbraw/zinc/05/73/98/608057398.db2.gz AXRVGGARXXYHJX-UHFFFAOYSA-N -1 3 372.772 2.093 20 50 FEGDHM CC(=O)NNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823993859 608057399 /nfs/dbraw/zinc/05/73/99/608057399.db2.gz AXRVGGARXXYHJX-UHFFFAOYSA-N -1 3 372.772 2.093 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2nnn[n-]2)s1 ZINC000823948123 608094149 /nfs/dbraw/zinc/09/41/49/608094149.db2.gz DIFSJWPFMYIIJJ-UHFFFAOYSA-N -1 3 356.411 2.107 20 50 FEGDHM C#CCOc1ccc(F)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823856258 608812866 /nfs/dbraw/zinc/81/28/66/608812866.db2.gz NTAUCBBHJORCPA-UHFFFAOYSA-N -1 3 367.344 2.166 20 50 FEGDHM C#CCOc1ccc(F)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823856258 608812868 /nfs/dbraw/zinc/81/28/68/608812868.db2.gz NTAUCBBHJORCPA-UHFFFAOYSA-N -1 3 367.344 2.166 20 50 FEGDHM CC[C@@H](C)Oc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000825076203 609259529 /nfs/dbraw/zinc/25/95/29/609259529.db2.gz UNGGVXCEDYHVES-LLVKDONJSA-N -1 3 353.386 2.196 20 50 FEGDHM Cc1c(Cl)cccc1OCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826237326 607337771 /nfs/dbraw/zinc/33/77/71/607337771.db2.gz VWIMCXXBKBEYSH-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM Cc1c(Cl)cccc1OCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826237326 607337773 /nfs/dbraw/zinc/33/77/73/607337773.db2.gz VWIMCXXBKBEYSH-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824737887 607348770 /nfs/dbraw/zinc/34/87/70/607348770.db2.gz KVFRLRCUEKTVHJ-LBPRGKRZSA-N -1 3 364.409 2.266 20 50 FEGDHM C[C@@H](CC(=O)c1ccccc1F)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824390997 607350120 /nfs/dbraw/zinc/35/01/20/607350120.db2.gz FZJGDRPJADKABL-NSHDSACASA-N -1 3 368.372 2.358 20 50 FEGDHM CC[C@@H](Oc1ccccc1C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825159404 607350265 /nfs/dbraw/zinc/35/02/65/607350265.db2.gz OPRFPYSDMUAOQV-OAHLLOKOSA-N -1 3 352.398 2.476 20 50 FEGDHM CCOC(=O)Nc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825523664 607355025 /nfs/dbraw/zinc/35/50/25/607355025.db2.gz SFXJJADNMPXVRE-UHFFFAOYSA-N -1 3 367.369 2.192 20 50 FEGDHM Cc1c(Cl)cccc1OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826236743 607356607 /nfs/dbraw/zinc/35/66/07/607356607.db2.gz AZNPXHGFUFHJKC-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826422252 607397096 /nfs/dbraw/zinc/39/70/96/607397096.db2.gz RVRHMTJPGRYXQM-UHFFFAOYSA-N -1 3 373.760 2.114 20 50 FEGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826422252 607397098 /nfs/dbraw/zinc/39/70/98/607397098.db2.gz RVRHMTJPGRYXQM-UHFFFAOYSA-N -1 3 373.760 2.114 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1cc(F)c(F)c(F)c1 ZINC000826401496 607398493 /nfs/dbraw/zinc/39/84/93/607398493.db2.gz AHKWIQOLSSQHNW-AATRIKPKSA-N -1 3 360.299 2.441 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1cc(F)c(F)c(F)c1 ZINC000826401496 607398495 /nfs/dbraw/zinc/39/84/95/607398495.db2.gz AHKWIQOLSSQHNW-AATRIKPKSA-N -1 3 360.299 2.441 20 50 FEGDHM CCC(CC)[C@@H](CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1)OC ZINC000825094710 607628673 /nfs/dbraw/zinc/62/86/73/607628673.db2.gz AJCALGPSXXSPDD-OAHLLOKOSA-N -1 3 361.450 2.334 20 50 FEGDHM CCC(CC)[C@@H](CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1)OC ZINC000825094710 607628674 /nfs/dbraw/zinc/62/86/74/607628674.db2.gz AJCALGPSXXSPDD-OAHLLOKOSA-N -1 3 361.450 2.334 20 50 FEGDHM CC1(C)CCC(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824795830 607712877 /nfs/dbraw/zinc/71/28/77/607712877.db2.gz GIKKKFMNDAHQLN-UHFFFAOYSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCC(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824795830 607712879 /nfs/dbraw/zinc/71/28/79/607712879.db2.gz GIKKKFMNDAHQLN-UHFFFAOYSA-N -1 3 356.430 2.234 20 50 FEGDHM CC(C)(C)c1noc(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824141458 607712963 /nfs/dbraw/zinc/71/29/63/607712963.db2.gz HKNKVHIVBFXMIK-UHFFFAOYSA-N -1 3 370.417 2.013 20 50 FEGDHM CC(C)(C)c1noc(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824141458 607712965 /nfs/dbraw/zinc/71/29/65/607712965.db2.gz HKNKVHIVBFXMIK-UHFFFAOYSA-N -1 3 370.417 2.013 20 50 FEGDHM Cn1cc(-c2cccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000826356516 607719458 /nfs/dbraw/zinc/71/94/58/607719458.db2.gz UQRASJUJDPHMKG-UHFFFAOYSA-N -1 3 360.381 2.024 20 50 FEGDHM Cn1cc(-c2cccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000826356516 607719460 /nfs/dbraw/zinc/71/94/60/607719460.db2.gz UQRASJUJDPHMKG-UHFFFAOYSA-N -1 3 360.381 2.024 20 50 FEGDHM O=C(COc1ccc2c(c1)CCCC2)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826417924 607719722 /nfs/dbraw/zinc/71/97/22/607719722.db2.gz LDFOTHCHKLXBAV-UHFFFAOYSA-N -1 3 364.409 2.268 20 50 FEGDHM O=C(COc1ccc2c(c1)CCCC2)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826417924 607719723 /nfs/dbraw/zinc/71/97/23/607719723.db2.gz LDFOTHCHKLXBAV-UHFFFAOYSA-N -1 3 364.409 2.268 20 50 FEGDHM CC(C)COc1ncccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824271834 607719792 /nfs/dbraw/zinc/71/97/92/607719792.db2.gz RATWRKRZROXGQH-UHFFFAOYSA-N -1 3 353.386 2.053 20 50 FEGDHM CC(C)COc1ncccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824271834 607719794 /nfs/dbraw/zinc/71/97/94/607719794.db2.gz RATWRKRZROXGQH-UHFFFAOYSA-N -1 3 353.386 2.053 20 50 FEGDHM C[C@H](CCOc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824407245 607719837 /nfs/dbraw/zinc/71/98/37/607719837.db2.gz WAEVMDPYFNCONQ-CYBMUJFWSA-N -1 3 352.398 2.415 20 50 FEGDHM C[C@H](CCOc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824407245 607719838 /nfs/dbraw/zinc/71/98/38/607719838.db2.gz WAEVMDPYFNCONQ-CYBMUJFWSA-N -1 3 352.398 2.415 20 50 FEGDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825879415 607724404 /nfs/dbraw/zinc/72/44/04/607724404.db2.gz MRUTZDXLHBMIJV-DLBZAZTESA-N -1 3 363.425 2.180 20 50 FEGDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825879415 607724405 /nfs/dbraw/zinc/72/44/05/607724405.db2.gz MRUTZDXLHBMIJV-DLBZAZTESA-N -1 3 363.425 2.180 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826447910 607730379 /nfs/dbraw/zinc/73/03/79/607730379.db2.gz ATGAGLLVGXVZSL-TZMCWYRMSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826447910 607730380 /nfs/dbraw/zinc/73/03/80/607730380.db2.gz ATGAGLLVGXVZSL-TZMCWYRMSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000826448729 607732567 /nfs/dbraw/zinc/73/25/67/607732567.db2.gz IPHVYYNIFUSSNR-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000826448729 607732569 /nfs/dbraw/zinc/73/25/69/607732569.db2.gz IPHVYYNIFUSSNR-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Br ZINC000826444866 607882155 /nfs/dbraw/zinc/88/21/55/607882155.db2.gz XXRVUBYQCCJRIC-UHFFFAOYSA-N -1 3 371.198 2.393 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Br ZINC000826444866 607882156 /nfs/dbraw/zinc/88/21/56/607882156.db2.gz XXRVUBYQCCJRIC-UHFFFAOYSA-N -1 3 371.198 2.393 20 50 FEGDHM COc1ccc(C[C@@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826190702 607995343 /nfs/dbraw/zinc/99/53/43/607995343.db2.gz KHYCYYWZAUUATJ-GFCCVEGCSA-N -1 3 352.398 2.197 20 50 FEGDHM COc1ccccc1SCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826221241 608200325 /nfs/dbraw/zinc/20/03/25/608200325.db2.gz VUCAAAYWSTUITC-UHFFFAOYSA-N -1 3 356.411 2.111 20 50 FEGDHM N#CC(=Cc1nccn1CC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378913 608215517 /nfs/dbraw/zinc/21/55/17/608215517.db2.gz DPTYHAGQLYNZHI-GHXNOFRVSA-N -1 3 373.298 2.415 20 50 FEGDHM N#CC(=Cc1nccn1CC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378913 608215518 /nfs/dbraw/zinc/21/55/18/608215518.db2.gz DPTYHAGQLYNZHI-GHXNOFRVSA-N -1 3 373.298 2.415 20 50 FEGDHM CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948261 609159210 /nfs/dbraw/zinc/15/92/10/609159210.db2.gz IWLQJPBMZMYVFG-UHFFFAOYSA-N -1 3 359.752 2.208 20 50 FEGDHM CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948261 609159212 /nfs/dbraw/zinc/15/92/12/609159212.db2.gz IWLQJPBMZMYVFG-UHFFFAOYSA-N -1 3 359.752 2.208 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)cs1 ZINC000826446982 607346123 /nfs/dbraw/zinc/34/61/23/607346123.db2.gz IDCKRSXEPCMVLQ-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000826447108 607342546 /nfs/dbraw/zinc/34/25/46/607342546.db2.gz NIJJEPLYLHKWFR-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccco2)s1 ZINC000826447444 607344016 /nfs/dbraw/zinc/34/40/16/607344016.db2.gz GDAHUSCALFFZTJ-UHFFFAOYSA-N -1 3 353.367 2.340 20 50 FEGDHM O=C(CCOc1ccc(Cl)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408168 607353098 /nfs/dbraw/zinc/35/30/98/607353098.db2.gz SKJQXIYGPXFQCM-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM CC[C@@H](Oc1ccccc1C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825159749 607727768 /nfs/dbraw/zinc/72/77/68/607727768.db2.gz SQTAWOHKJIDYRF-OAHLLOKOSA-N -1 3 352.398 2.476 20 50 FEGDHM CC[C@@H](Oc1ccccc1C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825159749 607727769 /nfs/dbraw/zinc/72/77/69/607727769.db2.gz SQTAWOHKJIDYRF-OAHLLOKOSA-N -1 3 352.398 2.476 20 50 FEGDHM O=C(NNc1cc(F)c(F)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823281625 606697685 /nfs/dbraw/zinc/69/76/85/606697685.db2.gz VFEUNASPZAEMEN-UHFFFAOYSA-N -1 3 370.241 2.319 20 50 FEGDHM O=C(NNc1cc(F)c(F)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823281625 606697686 /nfs/dbraw/zinc/69/76/86/606697686.db2.gz VFEUNASPZAEMEN-UHFFFAOYSA-N -1 3 370.241 2.319 20 50 FEGDHM CCOc1ccc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1OC ZINC000825631470 607882452 /nfs/dbraw/zinc/88/24/52/607882452.db2.gz AZMCKMCPQPPUAC-UHFFFAOYSA-N -1 3 366.381 2.038 20 50 FEGDHM CCOc1ccc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1OC ZINC000825631470 607882453 /nfs/dbraw/zinc/88/24/53/607882453.db2.gz AZMCKMCPQPPUAC-UHFFFAOYSA-N -1 3 366.381 2.038 20 50 FEGDHM Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826332801 607888730 /nfs/dbraw/zinc/88/87/30/607888730.db2.gz IMOJYYNFNAAHAK-UHFFFAOYSA-N -1 3 372.392 2.125 20 50 FEGDHM Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826332801 607888731 /nfs/dbraw/zinc/88/87/31/607888731.db2.gz IMOJYYNFNAAHAK-UHFFFAOYSA-N -1 3 372.392 2.125 20 50 FEGDHM CC1(C)CCC[C@H](CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801379 607893903 /nfs/dbraw/zinc/89/39/03/607893903.db2.gz FBKBUOWISCTULD-GFCCVEGCSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCC[C@H](CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801379 607893904 /nfs/dbraw/zinc/89/39/04/607893904.db2.gz FBKBUOWISCTULD-GFCCVEGCSA-N -1 3 356.430 2.234 20 50 FEGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc2c1OCCO2 ZINC000826379676 608213680 /nfs/dbraw/zinc/21/36/80/608213680.db2.gz YNLYAPCYZAQTPG-POHAHGRESA-N -1 3 365.374 2.489 20 50 FEGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc2c1OCCO2 ZINC000826379676 608213681 /nfs/dbraw/zinc/21/36/81/608213681.db2.gz YNLYAPCYZAQTPG-POHAHGRESA-N -1 3 365.374 2.489 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(C)(C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235124 608639788 /nfs/dbraw/zinc/63/97/88/608639788.db2.gz CDVLQYWEGSTISY-SVSAJMPUSA-N -1 3 353.430 2.116 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(C)(C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235124 608639790 /nfs/dbraw/zinc/63/97/90/608639790.db2.gz CDVLQYWEGSTISY-SVSAJMPUSA-N -1 3 353.430 2.116 20 50 FEGDHM O=C(NN=C(Cc1ccccc1)C(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444836 608752216 /nfs/dbraw/zinc/75/22/16/608752216.db2.gz WQAVRFNQRJDZAT-UHFFFAOYSA-N -1 3 356.336 2.460 20 50 FEGDHM O=C(NN=C(Cc1ccccc1)C(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444836 608752219 /nfs/dbraw/zinc/75/22/19/608752219.db2.gz WQAVRFNQRJDZAT-UHFFFAOYSA-N -1 3 356.336 2.460 20 50 FEGDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ncccc1Cl ZINC000825625696 608808803 /nfs/dbraw/zinc/80/88/03/608808803.db2.gz BORWXINWNNQNQT-UHFFFAOYSA-N -1 3 374.792 2.462 20 50 FEGDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ncccc1Cl ZINC000825625696 608808804 /nfs/dbraw/zinc/80/88/04/608808804.db2.gz BORWXINWNNQNQT-UHFFFAOYSA-N -1 3 374.792 2.462 20 50 FEGDHM CCOC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825523967 607335339 /nfs/dbraw/zinc/33/53/39/607335339.db2.gz XNMDPQVRGVHNAW-UHFFFAOYSA-N -1 3 367.369 2.192 20 50 FEGDHM CCOC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825523967 607335341 /nfs/dbraw/zinc/33/53/41/607335341.db2.gz XNMDPQVRGVHNAW-UHFFFAOYSA-N -1 3 367.369 2.192 20 50 FEGDHM CN(C)[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000825850754 607337569 /nfs/dbraw/zinc/33/75/69/607337569.db2.gz RRGHMVUHWUXORR-HNNXBMFYSA-N -1 3 371.832 2.266 20 50 FEGDHM CN(C)[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000825850754 607337571 /nfs/dbraw/zinc/33/75/71/607337571.db2.gz RRGHMVUHWUXORR-HNNXBMFYSA-N -1 3 371.832 2.266 20 50 FEGDHM O=C(CCCOc1ccccc1F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406538 607349692 /nfs/dbraw/zinc/34/96/92/607349692.db2.gz BIETWYCPSIGNNH-UHFFFAOYSA-N -1 3 356.361 2.308 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCC(=O)CC1 ZINC000826480325 607395464 /nfs/dbraw/zinc/39/54/64/607395464.db2.gz XOQRPFDGZAJVOR-UHFFFAOYSA-N -1 3 368.319 2.088 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCC(=O)CC1 ZINC000826480325 607395466 /nfs/dbraw/zinc/39/54/66/607395466.db2.gz XOQRPFDGZAJVOR-UHFFFAOYSA-N -1 3 368.319 2.088 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1coc2ccccc12 ZINC000826418989 607531608 /nfs/dbraw/zinc/53/16/08/607531608.db2.gz FWHWUSRCPFWKRI-UHFFFAOYSA-N -1 3 362.349 2.142 20 50 FEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1coc2ccccc12 ZINC000826418989 607531609 /nfs/dbraw/zinc/53/16/09/607531609.db2.gz FWHWUSRCPFWKRI-UHFFFAOYSA-N -1 3 362.349 2.142 20 50 FEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1ccc2ccccc2c1 ZINC000826249413 607666808 /nfs/dbraw/zinc/66/68/08/607666808.db2.gz BMLMBTPPXBVGHU-UHFFFAOYSA-N -1 3 372.388 2.403 20 50 FEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1ccc2ccccc2c1 ZINC000826249413 607666810 /nfs/dbraw/zinc/66/68/10/607666810.db2.gz BMLMBTPPXBVGHU-UHFFFAOYSA-N -1 3 372.388 2.403 20 50 FEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)CCC1CCCCC1 ZINC000826249622 607683478 /nfs/dbraw/zinc/68/34/78/607683478.db2.gz LNQFOLPYUIYEFF-UHFFFAOYSA-N -1 3 356.430 2.297 20 50 FEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)CCC1CCCCC1 ZINC000826249622 607683480 /nfs/dbraw/zinc/68/34/80/607683480.db2.gz LNQFOLPYUIYEFF-UHFFFAOYSA-N -1 3 356.430 2.297 20 50 FEGDHM COc1ccc2nc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826214069 607718771 /nfs/dbraw/zinc/71/87/71/607718771.db2.gz YXDXBHNIPBKYIJ-UHFFFAOYSA-N -1 3 361.365 2.180 20 50 FEGDHM COc1ccc2nc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc2c1 ZINC000826214069 607718773 /nfs/dbraw/zinc/71/87/73/607718773.db2.gz YXDXBHNIPBKYIJ-UHFFFAOYSA-N -1 3 361.365 2.180 20 50 FEGDHM Cc1c2ccccc2[nH]c(=O)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826234624 607721023 /nfs/dbraw/zinc/72/10/23/607721023.db2.gz GTTBXJRZSSBNGN-UHFFFAOYSA-N -1 3 361.365 2.186 20 50 FEGDHM Cc1c2ccccc2[nH]c(=O)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826234624 607721025 /nfs/dbraw/zinc/72/10/25/607721025.db2.gz GTTBXJRZSSBNGN-UHFFFAOYSA-N -1 3 361.365 2.186 20 50 FEGDHM COc1ccc(Cl)cc1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826208262 607722633 /nfs/dbraw/zinc/72/26/33/607722633.db2.gz BSIAQAPTULINOQ-UHFFFAOYSA-N -1 3 358.789 2.215 20 50 FEGDHM COc1ccc(Cl)cc1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826208262 607722635 /nfs/dbraw/zinc/72/26/35/607722635.db2.gz BSIAQAPTULINOQ-UHFFFAOYSA-N -1 3 358.789 2.215 20 50 FEGDHM CC1(C)CCCC[C@@H]1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824803020 607724651 /nfs/dbraw/zinc/72/46/51/607724651.db2.gz RJMGURFOVVNGHA-CQSZACIVSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCCC[C@@H]1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824803020 607724653 /nfs/dbraw/zinc/72/46/53/607724653.db2.gz RJMGURFOVVNGHA-CQSZACIVSA-N -1 3 356.430 2.234 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826448637 607727171 /nfs/dbraw/zinc/72/71/71/607727171.db2.gz DVTKCMDKERWLGQ-UHFFFAOYSA-N -1 3 365.309 2.278 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000826448637 607727173 /nfs/dbraw/zinc/72/71/73/607727173.db2.gz DVTKCMDKERWLGQ-UHFFFAOYSA-N -1 3 365.309 2.278 20 50 FEGDHM Cc1ccc(OCCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826292413 607728351 /nfs/dbraw/zinc/72/83/51/607728351.db2.gz UDMUYSFCSIFUFF-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM Cc1ccc(OCCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826292413 607728353 /nfs/dbraw/zinc/72/83/53/607728353.db2.gz UDMUYSFCSIFUFF-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1CC(OCc2ccccc2)C1 ZINC000826448445 607730566 /nfs/dbraw/zinc/73/05/66/607730566.db2.gz VSOPGCIDMGRCKW-UHFFFAOYSA-N -1 3 364.409 2.305 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CC(OCc2ccccc2)C1 ZINC000826448445 607730569 /nfs/dbraw/zinc/73/05/69/607730569.db2.gz VSOPGCIDMGRCKW-UHFFFAOYSA-N -1 3 364.409 2.305 20 50 FEGDHM O=C(NCCOc1ccccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826438563 607782736 /nfs/dbraw/zinc/78/27/36/607782736.db2.gz IFMYDJFEXGLGOC-UHFFFAOYSA-N -1 3 373.804 2.225 20 50 FEGDHM O=C(NCCOc1ccccc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826438563 607782737 /nfs/dbraw/zinc/78/27/37/607782737.db2.gz IFMYDJFEXGLGOC-UHFFFAOYSA-N -1 3 373.804 2.225 20 50 FEGDHM CCC(=O)c1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000825034733 607942798 /nfs/dbraw/zinc/94/27/98/607942798.db2.gz ODLCGAVYXVYNFZ-UHFFFAOYSA-N -1 3 354.345 2.355 20 50 FEGDHM CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948781 608091802 /nfs/dbraw/zinc/09/18/02/608091802.db2.gz XUKRXFGJNRTRJP-UHFFFAOYSA-N -1 3 370.438 2.464 20 50 FEGDHM N#CC(=Cc1ccc(O)cc1)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826378902 608451712 /nfs/dbraw/zinc/45/17/12/608451712.db2.gz DDQJXGBYRIQZRV-JYRVWZFOSA-N -1 3 365.324 2.362 20 50 FEGDHM COc1cc(C)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826178208 608804307 /nfs/dbraw/zinc/80/43/07/608804307.db2.gz NXTXMMRTAGZFHI-UHFFFAOYSA-N -1 3 369.385 2.341 20 50 FEGDHM COc1cc(C)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826178208 608804309 /nfs/dbraw/zinc/80/43/09/608804309.db2.gz NXTXMMRTAGZFHI-UHFFFAOYSA-N -1 3 369.385 2.341 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000826448420 608813016 /nfs/dbraw/zinc/81/30/16/608813016.db2.gz UWZZHXUSVGLNBY-UHFFFAOYSA-N -1 3 361.369 2.405 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000826448420 608813019 /nfs/dbraw/zinc/81/30/19/608813019.db2.gz UWZZHXUSVGLNBY-UHFFFAOYSA-N -1 3 361.369 2.405 20 50 FEGDHM Cc1cc(C(=O)NNc2ccccc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826307759 609518189 /nfs/dbraw/zinc/51/81/89/609518189.db2.gz VSHCNSONYZMNMV-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1cc(C(=O)NNc2ccccc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826307759 609518191 /nfs/dbraw/zinc/51/81/91/609518191.db2.gz VSHCNSONYZMNMV-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM O=C(NNc1ccccc1Br)c1cc(-c2nnn[n-]2)cs1 ZINC000826449224 607339866 /nfs/dbraw/zinc/33/98/66/607339866.db2.gz IEDXMOWYJHMNHH-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NNc1ccccc1Br)c1cc(-c2nn[n-]n2)cs1 ZINC000826449224 607339867 /nfs/dbraw/zinc/33/98/67/607339867.db2.gz IEDXMOWYJHMNHH-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM Cc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826281382 607340438 /nfs/dbraw/zinc/34/04/38/607340438.db2.gz PBMKTWZJFLRMOX-UHFFFAOYSA-N -1 3 356.411 2.343 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000826446582 607341980 /nfs/dbraw/zinc/34/19/80/607341980.db2.gz QTNVGWYBYGCANE-KXBFYZLASA-N -1 3 362.393 2.050 20 50 FEGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000824064244 607342402 /nfs/dbraw/zinc/34/24/02/607342402.db2.gz DKXASLMUOPEQFH-UHFFFAOYSA-N -1 3 367.369 2.196 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826447178 607344946 /nfs/dbraw/zinc/34/49/46/607344946.db2.gz RNGJNXJULMRFKY-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM COc1ccc(Cl)cc1NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826208341 607345332 /nfs/dbraw/zinc/34/53/32/607345332.db2.gz GADTVHFSMHRKIC-UHFFFAOYSA-N -1 3 373.804 2.084 20 50 FEGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000825687986 607345364 /nfs/dbraw/zinc/34/53/64/607345364.db2.gz PILYXADEQCMLCL-UHFFFAOYSA-N -1 3 353.386 2.025 20 50 FEGDHM O=C(COC/C=C\c1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826416930 607350505 /nfs/dbraw/zinc/35/05/05/607350505.db2.gz WZSOKFWTSHZWMM-DAXSKMNVSA-N -1 3 350.382 2.040 20 50 FEGDHM O=C(CCCOCc1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406263 607352901 /nfs/dbraw/zinc/35/29/01/607352901.db2.gz OTVQIYJBEOSGJK-UHFFFAOYSA-N -1 3 352.398 2.307 20 50 FEGDHM N#Cc1ccc(CSCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385120 607355554 /nfs/dbraw/zinc/35/55/54/607355554.db2.gz YCJAYSTVOMRGAU-UHFFFAOYSA-N -1 3 365.422 2.115 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1SCCc2sccc21 ZINC000826446635 607357270 /nfs/dbraw/zinc/35/72/70/607357270.db2.gz SLJJABROURDYIB-ZDUSSCGKSA-N -1 3 358.452 2.402 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc(F)c(F)c1F ZINC000826402422 607359477 /nfs/dbraw/zinc/35/94/77/607359477.db2.gz UESWRRUNPQRJCM-VMPITWQZSA-N -1 3 360.299 2.441 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(F)c(F)c1F ZINC000826402422 607359479 /nfs/dbraw/zinc/35/94/79/607359479.db2.gz UESWRRUNPQRJCM-VMPITWQZSA-N -1 3 360.299 2.441 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1ccc(F)c(F)c1F ZINC000826402423 607359530 /nfs/dbraw/zinc/35/95/30/607359530.db2.gz UESWRRUNPQRJCM-YVMONPNESA-N -1 3 360.299 2.441 20 50 FEGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1ccc(F)c(F)c1F ZINC000826402423 607359532 /nfs/dbraw/zinc/35/95/32/607359532.db2.gz UESWRRUNPQRJCM-YVMONPNESA-N -1 3 360.299 2.441 20 50 FEGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccccc1Cl ZINC000824744381 607380289 /nfs/dbraw/zinc/38/02/89/607380289.db2.gz ARRKBEHIKWXBJR-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccccc1Cl ZINC000824744381 607380291 /nfs/dbraw/zinc/38/02/91/607380291.db2.gz ARRKBEHIKWXBJR-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM O=C(Cc1ccco1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826424168 607395513 /nfs/dbraw/zinc/39/55/13/607395513.db2.gz YTONWDRGMQFTSV-UHFFFAOYSA-N -1 3 352.276 2.164 20 50 FEGDHM O=C(Cc1ccco1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826424168 607395514 /nfs/dbraw/zinc/39/55/14/607395514.db2.gz YTONWDRGMQFTSV-UHFFFAOYSA-N -1 3 352.276 2.164 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000823281812 607445658 /nfs/dbraw/zinc/44/56/58/607445658.db2.gz YNFQPSIIIXLPJI-IXDOHACOSA-N -1 3 361.409 2.221 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000823281812 607445660 /nfs/dbraw/zinc/44/56/60/607445660.db2.gz YNFQPSIIIXLPJI-IXDOHACOSA-N -1 3 361.409 2.221 20 50 FEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=CC=Cc1ccc(F)cc1 ZINC000826417441 607652559 /nfs/dbraw/zinc/65/25/59/607652559.db2.gz RBPTYWXWDBBJBO-RZTIANJHSA-N -1 3 366.356 2.200 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826448976 607720100 /nfs/dbraw/zinc/72/01/00/607720100.db2.gz VYBSSSCIGMFPOG-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000826448976 607720101 /nfs/dbraw/zinc/72/01/01/607720101.db2.gz VYBSSSCIGMFPOG-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(Cc1coc2cc(F)ccc12)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826423722 607729959 /nfs/dbraw/zinc/72/99/59/607729959.db2.gz CUGYDDPWZOECLJ-UHFFFAOYSA-N -1 3 352.329 2.438 20 50 FEGDHM O=C(Cc1coc2cc(F)ccc12)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826423722 607729961 /nfs/dbraw/zinc/72/99/61/607729961.db2.gz CUGYDDPWZOECLJ-UHFFFAOYSA-N -1 3 352.329 2.438 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826448271 607730449 /nfs/dbraw/zinc/73/04/49/607730449.db2.gz ONPOEOMLCLQQMR-OLZOCXBDSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826448271 607730450 /nfs/dbraw/zinc/73/04/50/607730450.db2.gz ONPOEOMLCLQQMR-OLZOCXBDSA-N -1 3 356.336 2.392 20 50 FEGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824505267 608537834 /nfs/dbraw/zinc/53/78/34/608537834.db2.gz AWTUYRWWKKTPPD-SNVBAGLBSA-N -1 3 368.357 2.162 20 50 FEGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824505267 608537835 /nfs/dbraw/zinc/53/78/35/608537835.db2.gz AWTUYRWWKKTPPD-SNVBAGLBSA-N -1 3 368.357 2.162 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(C)(C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235125 608640004 /nfs/dbraw/zinc/64/00/04/608640004.db2.gz CDVLQYWEGSTISY-WTWVRAIASA-N -1 3 353.430 2.116 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(C)(C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235125 608640005 /nfs/dbraw/zinc/64/00/05/608640005.db2.gz CDVLQYWEGSTISY-WTWVRAIASA-N -1 3 353.430 2.116 20 50 FEGDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1ccccn1 ZINC000824319353 608842834 /nfs/dbraw/zinc/84/28/34/608842834.db2.gz NFAYQWFBJPEJRJ-UHFFFAOYSA-N -1 3 354.374 2.198 20 50 FEGDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1ccccn1 ZINC000824319353 608842835 /nfs/dbraw/zinc/84/28/35/608842835.db2.gz NFAYQWFBJPEJRJ-UHFFFAOYSA-N -1 3 354.374 2.198 20 50 FEGDHM CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948482 609157500 /nfs/dbraw/zinc/15/75/00/609157500.db2.gz OQVKBYHWZTWEDX-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM CC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948482 609157502 /nfs/dbraw/zinc/15/75/02/609157502.db2.gz OQVKBYHWZTWEDX-UHFFFAOYSA-N -1 3 369.316 2.068 20 50 FEGDHM CC(C)(C)[C@H](Br)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824070827 609266381 /nfs/dbraw/zinc/26/63/81/609266381.db2.gz DCPUOWOYOCEGKL-LLVKDONJSA-N -1 3 352.236 2.293 20 50 FEGDHM CC(C)(C)[C@H](Br)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824070827 609266383 /nfs/dbraw/zinc/26/63/83/609266383.db2.gz DCPUOWOYOCEGKL-LLVKDONJSA-N -1 3 352.236 2.293 20 50 FEGDHM C[C@H](NC(=O)NNc1cc(Cl)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499023 609439456 /nfs/dbraw/zinc/43/94/56/609439456.db2.gz MKAPAZLWZZLBGX-VIFPVBQESA-N -1 3 358.793 2.302 20 50 FEGDHM C[C@H](NC(=O)NNc1cc(Cl)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499023 609439459 /nfs/dbraw/zinc/43/94/59/609439459.db2.gz MKAPAZLWZZLBGX-VIFPVBQESA-N -1 3 358.793 2.302 20 50 FEGDHM CC(=Cc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823942316 609449791 /nfs/dbraw/zinc/44/97/91/609449791.db2.gz BABNFBKHCYVSKR-ACCUITESSA-N -1 3 362.393 2.040 20 50 FEGDHM CC(=Cc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823942316 609449793 /nfs/dbraw/zinc/44/97/93/609449793.db2.gz BABNFBKHCYVSKR-ACCUITESSA-N -1 3 362.393 2.040 20 50 FEGDHM CC1=NN(c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000824858963 607335408 /nfs/dbraw/zinc/33/54/08/607335408.db2.gz NHOKJOPYNKSWEY-UHFFFAOYSA-N -1 3 362.397 2.210 20 50 FEGDHM CC1=NN(c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000824858963 607335409 /nfs/dbraw/zinc/33/54/09/607335409.db2.gz NHOKJOPYNKSWEY-UHFFFAOYSA-N -1 3 362.397 2.210 20 50 FEGDHM N#Cc1cccc(NNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826387006 607336172 /nfs/dbraw/zinc/33/61/72/607336172.db2.gz BTRSRVBPACJSLA-UHFFFAOYSA-N -1 3 365.422 2.115 20 50 FEGDHM N#Cc1cccc(NNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387006 607336173 /nfs/dbraw/zinc/33/61/73/607336173.db2.gz BTRSRVBPACJSLA-UHFFFAOYSA-N -1 3 365.422 2.115 20 50 FEGDHM O=C(NNc1ccccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449097 607339938 /nfs/dbraw/zinc/33/99/38/607339938.db2.gz BQZFGPFNNZQPCM-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(NNc1ccccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449097 607339940 /nfs/dbraw/zinc/33/99/40/607339940.db2.gz BQZFGPFNNZQPCM-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(C[C@@H]1CCOc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404588 607345868 /nfs/dbraw/zinc/34/58/68/607345868.db2.gz FXENVZCJTRKNGP-ZDUSSCGKSA-N -1 3 350.382 2.266 20 50 FEGDHM O=C(Cc1coc2cc(F)ccc12)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423830 607353111 /nfs/dbraw/zinc/35/31/11/607353111.db2.gz IRFPQLNWZIQKAM-UHFFFAOYSA-N -1 3 352.329 2.438 20 50 FEGDHM CC(C)c1noc2ncc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000824371522 607354590 /nfs/dbraw/zinc/35/45/90/607354590.db2.gz ITDUEPQMDLDUPO-UHFFFAOYSA-N -1 3 364.369 2.283 20 50 FEGDHM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1sccc1-c1nnn[n-]1 ZINC000826447794 607397352 /nfs/dbraw/zinc/39/73/52/607397352.db2.gz WKRDAWKZHHLIJD-UHFFFAOYSA-N -1 3 365.762 2.247 20 50 FEGDHM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1sccc1-c1nn[n-]n1 ZINC000826447794 607397354 /nfs/dbraw/zinc/39/73/54/607397354.db2.gz WKRDAWKZHHLIJD-UHFFFAOYSA-N -1 3 365.762 2.247 20 50 FEGDHM Cc1ccsc1CCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316156 607676914 /nfs/dbraw/zinc/67/69/14/607676914.db2.gz FLNUDQQEDSQFJL-UHFFFAOYSA-N -1 3 370.438 2.021 20 50 FEGDHM Cc1ccsc1CCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316156 607676916 /nfs/dbraw/zinc/67/69/16/607676916.db2.gz 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O=C(COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)NN=CC1CC1 ZINC000826416483 607883151 /nfs/dbraw/zinc/88/31/51/607883151.db2.gz BGDPMLACYUPWNB-UHFFFAOYSA-N -1 3 362.393 2.425 20 50 FEGDHM O=C(COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)NN=CC1CC1 ZINC000826416483 607883152 /nfs/dbraw/zinc/88/31/52/607883152.db2.gz BGDPMLACYUPWNB-UHFFFAOYSA-N -1 3 362.393 2.425 20 50 FEGDHM O=C(NN=Cc1sc(Cl)nc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826444569 607888853 /nfs/dbraw/zinc/88/88/53/607888853.db2.gz LRCKWVCTZQNGLR-UHFFFAOYSA-N -1 3 368.209 2.394 20 50 FEGDHM O=C(NN=Cc1sc(Cl)nc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826444569 607888854 /nfs/dbraw/zinc/88/88/54/607888854.db2.gz LRCKWVCTZQNGLR-UHFFFAOYSA-N -1 3 368.209 2.394 20 50 FEGDHM CC(=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1F ZINC000823948097 608109820 /nfs/dbraw/zinc/10/98/20/608109820.db2.gz CXZAUYSUMLFXAF-UHFFFAOYSA-N -1 3 368.372 2.233 20 50 FEGDHM CCOC(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825560515 608214140 /nfs/dbraw/zinc/21/41/40/608214140.db2.gz 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ZINC000826380623 609166590 /nfs/dbraw/zinc/16/65/90/609166590.db2.gz HYPYYKPIBGXSJU-UHFFFAOYSA-N -1 3 373.376 2.350 20 50 FEGDHM N#CC1=CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000826380623 609166592 /nfs/dbraw/zinc/16/65/92/609166592.db2.gz HYPYYKPIBGXSJU-UHFFFAOYSA-N -1 3 373.376 2.350 20 50 FEGDHM CCOc1cc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1O ZINC000825615733 609253560 /nfs/dbraw/zinc/25/35/60/609253560.db2.gz IQYZHJHUVNLOIX-CLFYSBASSA-N -1 3 366.381 2.128 20 50 FEGDHM CCOc1cc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1O ZINC000825615733 609253561 /nfs/dbraw/zinc/25/35/61/609253561.db2.gz IQYZHJHUVNLOIX-CLFYSBASSA-N -1 3 366.381 2.128 20 50 FEGDHM COc1ccccc1CC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826219845 609276615 /nfs/dbraw/zinc/27/66/15/609276615.db2.gz SOFMPJPWAUHNLA-UHFFFAOYSA-N -1 3 368.372 2.097 20 50 FEGDHM COc1ccccc1CC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826219845 609276616 /nfs/dbraw/zinc/27/66/16/609276616.db2.gz SOFMPJPWAUHNLA-UHFFFAOYSA-N -1 3 368.372 2.097 20 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ZINC000826382265 607719487 /nfs/dbraw/zinc/71/94/87/607719487.db2.gz WBVASXRVOSWSOK-UHFFFAOYSA-N -1 3 351.395 2.239 20 50 FEGDHM CC(C)(C)c1nc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824141880 607719782 /nfs/dbraw/zinc/71/97/82/607719782.db2.gz NLQRQVKFHLTYTM-UHFFFAOYSA-N -1 3 357.443 2.307 20 50 FEGDHM CC(C)(C)c1nc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824141880 607719784 /nfs/dbraw/zinc/71/97/84/607719784.db2.gz NLQRQVKFHLTYTM-UHFFFAOYSA-N -1 3 357.443 2.307 20 50 FEGDHM C[C@H](Oc1ccccc1Cl)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824757445 607721926 /nfs/dbraw/zinc/72/19/26/607721926.db2.gz XCLWZQFCLSYSAW-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM C[C@H](Oc1ccccc1Cl)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824757445 607721928 /nfs/dbraw/zinc/72/19/28/607721928.db2.gz XCLWZQFCLSYSAW-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM O=C(CCC(=O)c1ccc(F)cc1F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404983 607726739 /nfs/dbraw/zinc/72/67/39/607726739.db2.gz RSHCFWPKPOIWBY-UHFFFAOYSA-N -1 3 372.335 2.251 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O=C(CCOc1ccccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407824 607336374 /nfs/dbraw/zinc/33/63/74/607336374.db2.gz CKOQGFXLRAVHEQ-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM O=C(CCOc1ccccc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407824 607336376 /nfs/dbraw/zinc/33/63/76/607336376.db2.gz CKOQGFXLRAVHEQ-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000826448457 607336963 /nfs/dbraw/zinc/33/69/63/607336963.db2.gz WSGNJLVMGUDUOE-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccc(F)c2)no1 ZINC000826448457 607336965 /nfs/dbraw/zinc/33/69/65/607336965.db2.gz WSGNJLVMGUDUOE-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825875486 607347875 /nfs/dbraw/zinc/34/78/75/607347875.db2.gz RAKFZIDHLNIOOV-DLBZAZTESA-N -1 3 363.425 2.180 20 50 FEGDHM O=C(CSc1nc2ccccc2o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421638 607347117 /nfs/dbraw/zinc/34/71/17/607347117.db2.gz RPQAUZXTCWHYPP-UHFFFAOYSA-N -1 3 367.394 2.243 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000826446754 607352048 /nfs/dbraw/zinc/35/20/48/607352048.db2.gz XBCVYNKNLZEAAS-OLZOCXBDSA-N -1 3 356.336 2.392 20 50 FEGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccccc1Cl ZINC000824744383 607380345 /nfs/dbraw/zinc/38/03/45/607380345.db2.gz ARRKBEHIKWXBJR-SNVBAGLBSA-N -1 3 358.789 2.431 20 50 FEGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccccc1Cl ZINC000824744383 607380347 /nfs/dbraw/zinc/38/03/47/607380347.db2.gz ARRKBEHIKWXBJR-SNVBAGLBSA-N -1 3 358.789 2.431 20 50 FEGDHM Cc1cc(F)ccc1NNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826268609 607393281 /nfs/dbraw/zinc/39/32/81/607393281.db2.gz FUVKXGZHVPNZPV-NSHDSACASA-N -1 3 356.361 2.225 20 50 FEGDHM CCOC(=O)C(C#N)=CNc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825486195 607679771 /nfs/dbraw/zinc/67/97/71/607679771.db2.gz NXNAROHBUIXGQZ-XYOKQWHBSA-N -1 3 367.394 2.373 20 50 FEGDHM CCOC(=O)C(C#N)=CNc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825486195 607679772 /nfs/dbraw/zinc/67/97/72/607679772.db2.gz NXNAROHBUIXGQZ-XYOKQWHBSA-N -1 3 367.394 2.373 20 50 FEGDHM O=C(CCc1cnn(-c2ccccc2)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409458 607712531 /nfs/dbraw/zinc/71/25/31/607712531.db2.gz ZWPNGUFUTJJILV-UHFFFAOYSA-N -1 3 374.408 2.128 20 50 FEGDHM O=C(CCc1cnn(-c2ccccc2)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409458 607712535 /nfs/dbraw/zinc/71/25/35/607712535.db2.gz ZWPNGUFUTJJILV-UHFFFAOYSA-N -1 3 374.408 2.128 20 50 FEGDHM COc1cccc(SCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826217397 607720379 /nfs/dbraw/zinc/72/03/79/607720379.db2.gz KSTFKIFZLFZCMI-UHFFFAOYSA-N -1 3 356.411 2.111 20 50 FEGDHM COc1cccc(SCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826217397 607720380 /nfs/dbraw/zinc/72/03/80/607720380.db2.gz KSTFKIFZLFZCMI-UHFFFAOYSA-N -1 3 356.411 2.111 20 50 FEGDHM Cc1cc(Br)oc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826256481 607726131 /nfs/dbraw/zinc/72/61/31/607726131.db2.gz LMBRHTKXKGSZJD-UHFFFAOYSA-N -1 3 363.175 2.288 20 50 FEGDHM Cc1cc(Br)oc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826256481 607726133 /nfs/dbraw/zinc/72/61/33/607726133.db2.gz LMBRHTKXKGSZJD-UHFFFAOYSA-N -1 3 363.175 2.288 20 50 FEGDHM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826256582 607757122 /nfs/dbraw/zinc/75/71/22/607757122.db2.gz QJJCTMVJXCQYEQ-UHFFFAOYSA-N -1 3 362.191 2.023 20 50 FEGDHM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826256582 607757123 /nfs/dbraw/zinc/75/71/23/607757123.db2.gz QJJCTMVJXCQYEQ-UHFFFAOYSA-N -1 3 362.191 2.023 20 50 FEGDHM O=C(NNc1ncccc1C(F)(F)F)c1cc(-c2nnn[n-]2)cs1 ZINC000823284465 606585931 /nfs/dbraw/zinc/58/59/31/606585931.db2.gz HPQREBYBSFHERD-UHFFFAOYSA-N -1 3 355.305 2.099 20 50 FEGDHM O=C(NNc1ncccc1C(F)(F)F)c1cc(-c2nn[n-]n2)cs1 ZINC000823284465 606585932 /nfs/dbraw/zinc/58/59/32/606585932.db2.gz HPQREBYBSFHERD-UHFFFAOYSA-N -1 3 355.305 2.099 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1COc2c1cccc2Cl ZINC000823280586 606880021 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365.441 2.117 20 50 FEGDHM CC[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1c(C)noc1C ZINC000825134576 607960044 /nfs/dbraw/zinc/96/00/44/607960044.db2.gz VCZRHWPVFOWVGD-ZDUSSCGKSA-N -1 3 356.390 2.249 20 50 FEGDHM CC[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1c(C)noc1C ZINC000825134576 607960045 /nfs/dbraw/zinc/96/00/45/607960045.db2.gz VCZRHWPVFOWVGD-ZDUSSCGKSA-N -1 3 356.390 2.249 20 50 FEGDHM COc1ccc(C[C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826190945 607995798 /nfs/dbraw/zinc/99/57/98/607995798.db2.gz RMCOAAHWODNWSP-LBPRGKRZSA-N -1 3 352.398 2.197 20 50 FEGDHM COc1ccc(C[C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826190945 607995799 /nfs/dbraw/zinc/99/57/99/607995799.db2.gz RMCOAAHWODNWSP-LBPRGKRZSA-N -1 3 352.398 2.197 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C)ccc2O)cc(-c2nn[n-]n2)n1C ZINC000826291387 607996313 /nfs/dbraw/zinc/99/63/13/607996313.db2.gz CZKSVTVRPNFUEY-QPEQYQDCSA-N -1 3 363.381 2.073 20 50 FEGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)c1cccc(C#N)c1 ZINC000826379493 608216119 /nfs/dbraw/zinc/21/61/19/608216119.db2.gz SXFKYVZHQIFHLL-VIZOYTHASA-N -1 3 366.344 2.176 20 50 FEGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)c1cccc(C#N)c1 ZINC000826379493 608216121 /nfs/dbraw/zinc/21/61/21/608216121.db2.gz SXFKYVZHQIFHLL-VIZOYTHASA-N -1 3 366.344 2.176 20 50 FEGDHM N#CC(=Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379351 608216153 /nfs/dbraw/zinc/21/61/53/608216153.db2.gz PQJXKFNSQJIBEX-NVNXTCNLSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379351 608216154 /nfs/dbraw/zinc/21/61/54/608216154.db2.gz PQJXKFNSQJIBEX-NVNXTCNLSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1cnn(CCCl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378856 608217076 /nfs/dbraw/zinc/21/70/76/608217076.db2.gz BWTNWVQXHMNERY-NSIKDUERSA-N -1 3 353.773 2.092 20 50 FEGDHM N#CC(=Cc1cnn(CCCl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378856 608217078 /nfs/dbraw/zinc/21/70/78/608217078.db2.gz BWTNWVQXHMNERY-NSIKDUERSA-N -1 3 353.773 2.092 20 50 FEGDHM Cn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826358705 608277347 /nfs/dbraw/zinc/27/73/47/608277347.db2.gz FBQUDIFKGQHMSC-UHFFFAOYSA-N -1 3 360.381 2.024 20 50 FEGDHM Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826358705 608277348 /nfs/dbraw/zinc/27/73/48/608277348.db2.gz FBQUDIFKGQHMSC-UHFFFAOYSA-N -1 3 360.381 2.024 20 50 FEGDHM CC(=NNC(=O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948668 609276513 /nfs/dbraw/zinc/27/65/13/609276513.db2.gz UGPQEVVUKADRRV-UHFFFAOYSA-N -1 3 368.372 2.063 20 50 FEGDHM CC(=NNC(=O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948668 609276515 /nfs/dbraw/zinc/27/65/15/609276515.db2.gz UGPQEVVUKADRRV-UHFFFAOYSA-N -1 3 368.372 2.063 20 50 FEGDHM O=C(NNc1ccnc(F)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826449409 609299648 /nfs/dbraw/zinc/29/96/48/609299648.db2.gz QPOBDYTUVALVCJ-UHFFFAOYSA-N -1 3 368.159 2.465 20 50 FEGDHM O=C(NNc1ccnc(F)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826449409 609299649 /nfs/dbraw/zinc/29/96/49/609299649.db2.gz QPOBDYTUVALVCJ-UHFFFAOYSA-N -1 3 368.159 2.465 20 50 FEGDHM O=C(NN=C1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444375 609375066 /nfs/dbraw/zinc/37/50/66/609375066.db2.gz CTVIWSCYACIZRD-UHFFFAOYSA-N -1 3 366.356 2.313 20 50 FEGDHM O=C(NN=C1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444375 609375069 /nfs/dbraw/zinc/37/50/69/609375069.db2.gz CTVIWSCYACIZRD-UHFFFAOYSA-N -1 3 366.356 2.313 20 50 FEGDHM C[C@H](NC(=O)NNc1cc(Cl)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824500367 609452028 /nfs/dbraw/zinc/45/20/28/609452028.db2.gz VQQSKWCTRBHCCG-VIFPVBQESA-N -1 3 358.793 2.302 20 50 FEGDHM C[C@H](NC(=O)NNc1cc(Cl)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824500367 609452030 /nfs/dbraw/zinc/45/20/30/609452030.db2.gz VQQSKWCTRBHCCG-VIFPVBQESA-N -1 3 358.793 2.302 20 50 FEGDHM Cc1ccnn1-c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826315957 607336435 /nfs/dbraw/zinc/33/64/35/607336435.db2.gz ZKXWDJYNYHKWHU-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1ccnn1-c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826315957 607336437 /nfs/dbraw/zinc/33/64/37/607336437.db2.gz ZKXWDJYNYHKWHU-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824177296 607336630 /nfs/dbraw/zinc/33/66/30/607336630.db2.gz GWJSSUWBXGMKJP-UHFFFAOYSA-N -1 3 363.381 2.039 20 50 FEGDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824177296 607336632 /nfs/dbraw/zinc/33/66/32/607336632.db2.gz GWJSSUWBXGMKJP-UHFFFAOYSA-N -1 3 363.381 2.039 20 50 FEGDHM CC(C)Oc1ccccc1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824333369 607340079 /nfs/dbraw/zinc/34/00/79/607340079.db2.gz IOLMQNMXGBLNFR-UHFFFAOYSA-N -1 3 352.398 2.340 20 50 FEGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1Cc1ccccc1 ZINC000826234991 607340472 /nfs/dbraw/zinc/34/04/72/607340472.db2.gz YFVJYWGIQPOLJI-UHFFFAOYSA-N -1 3 374.408 2.177 20 50 FEGDHM CC1=NN(c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000824860595 607356400 /nfs/dbraw/zinc/35/64/00/607356400.db2.gz WEBAYCNCGPCUNQ-UHFFFAOYSA-N -1 3 362.397 2.210 20 50 FEGDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824745377 607354537 /nfs/dbraw/zinc/35/45/37/607354537.db2.gz RGAUQOYWQDJNSS-SNVBAGLBSA-N -1 3 358.789 2.431 20 50 FEGDHM COc1ccc(CNC(=O)NNc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826200347 607624935 /nfs/dbraw/zinc/62/49/35/607624935.db2.gz LHFPEEPIMBNSFL-UHFFFAOYSA-N -1 3 373.804 2.355 20 50 FEGDHM COc1ccc(CNC(=O)NNc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826200347 607624937 /nfs/dbraw/zinc/62/49/37/607624937.db2.gz LHFPEEPIMBNSFL-UHFFFAOYSA-N -1 3 373.804 2.355 20 50 FEGDHM Cc1cc(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826271662 607712331 /nfs/dbraw/zinc/71/23/31/607712331.db2.gz BDRKNFCHMNFYEO-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM Cc1cc(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826271662 607712333 /nfs/dbraw/zinc/71/23/33/607712333.db2.gz BDRKNFCHMNFYEO-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccnc1SC(F)F ZINC000826448567 607725296 /nfs/dbraw/zinc/72/52/96/607725296.db2.gz AKNZHXAFXNIPBJ-UHFFFAOYSA-N -1 3 363.353 2.333 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccnc1SC(F)F ZINC000826448567 607725298 /nfs/dbraw/zinc/72/52/98/607725298.db2.gz AKNZHXAFXNIPBJ-UHFFFAOYSA-N -1 3 363.353 2.333 20 50 FEGDHM O=C(CCCn1cnc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406928 607726644 /nfs/dbraw/zinc/72/66/44/607726644.db2.gz SWJWPXDXEULBCV-UHFFFAOYSA-N -1 3 362.397 2.140 20 50 FEGDHM O=C(CCCn1cnc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406928 607726646 /nfs/dbraw/zinc/72/66/46/607726646.db2.gz SWJWPXDXEULBCV-UHFFFAOYSA-N -1 3 362.397 2.140 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCCCC1 ZINC000823280596 606155306 /nfs/dbraw/zinc/15/53/06/606155306.db2.gz CPZUOPOCEQXMKV-UHFFFAOYSA-N -1 3 355.324 2.408 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCCCC1 ZINC000823280596 606155307 /nfs/dbraw/zinc/15/53/07/606155307.db2.gz CPZUOPOCEQXMKV-UHFFFAOYSA-N -1 3 355.324 2.408 20 50 FEGDHM O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823281688 606643236 /nfs/dbraw/zinc/64/32/36/606643236.db2.gz VVEBUAATRMRLCC-UHFFFAOYSA-N -1 3 358.365 2.081 20 50 FEGDHM O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823281688 606643237 /nfs/dbraw/zinc/64/32/37/606643237.db2.gz VVEBUAATRMRLCC-UHFFFAOYSA-N -1 3 358.365 2.081 20 50 FEGDHM CCCCc1nc(Cl)c(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC000825296820 607888422 /nfs/dbraw/zinc/88/84/22/607888422.db2.gz WCJFAYKPJCDCJC-UHFFFAOYSA-N -1 3 372.820 2.350 20 50 FEGDHM CCOc1cc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000825615979 609253813 /nfs/dbraw/zinc/25/38/13/609253813.db2.gz RKACDVRFKLPHLO-ONNFQVAWSA-N -1 3 366.381 2.128 20 50 FEGDHM CC[C@@H](C)Oc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825074355 609259286 /nfs/dbraw/zinc/25/92/86/609259286.db2.gz GWKKRMFXZPPIAS-LLVKDONJSA-N -1 3 353.386 2.196 20 50 FEGDHM CC[C@@H](C)Oc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825074355 609259287 /nfs/dbraw/zinc/25/92/87/609259287.db2.gz GWKKRMFXZPPIAS-LLVKDONJSA-N -1 3 353.386 2.196 20 50 FEGDHM CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824070828 609266053 /nfs/dbraw/zinc/26/60/53/609266053.db2.gz DCPUOWOYOCEGKL-NSHDSACASA-N -1 3 352.236 2.293 20 50 FEGDHM CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824070828 609266054 /nfs/dbraw/zinc/26/60/54/609266054.db2.gz DCPUOWOYOCEGKL-NSHDSACASA-N -1 3 352.236 2.293 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(O)cc2C)cc(-c2nn[n-]n2)n1C ZINC000826271660 607338881 /nfs/dbraw/zinc/33/88/81/607338881.db2.gz BBMFSYIYNNXFFQ-QPEQYQDCSA-N -1 3 363.381 2.073 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000826447026 607342516 /nfs/dbraw/zinc/34/25/16/607342516.db2.gz KHTLXEKVPBWCKH-UHFFFAOYSA-N -1 3 373.376 2.183 20 50 FEGDHM COc1ccc(C(C)(C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187650 607344380 /nfs/dbraw/zinc/34/43/80/607344380.db2.gz AOHSYDDXQQOOOK-UHFFFAOYSA-N -1 3 352.398 2.296 20 50 FEGDHM Cc1nc2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2nc1C ZINC000826329073 607344536 /nfs/dbraw/zinc/34/45/36/607344536.db2.gz PFRZRGUOSCWGPI-UHFFFAOYSA-N -1 3 360.381 2.184 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826447256 607348834 /nfs/dbraw/zinc/34/88/34/607348834.db2.gz WVDSVLLCHWRPFM-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1C ZINC000826305946 607346721 /nfs/dbraw/zinc/34/67/21/607346721.db2.gz MREFEZZNESGJKG-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM CCOc1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000825658762 607350390 /nfs/dbraw/zinc/35/03/90/607350390.db2.gz JYFWRQOXYBHVDJ-UHFFFAOYSA-N -1 3 359.777 2.071 20 50 FEGDHM CSc1ccc([N+](=O)[O-])c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826231123 607349098 /nfs/dbraw/zinc/34/90/98/607349098.db2.gz YCTWSRUZPVRTIP-UHFFFAOYSA-N -1 3 371.382 2.254 20 50 FEGDHM COc1cccc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)oc21 ZINC000826218334 607355185 /nfs/dbraw/zinc/35/51/85/607355185.db2.gz YZGBVNCSLLNVOR-UHFFFAOYSA-N -1 3 350.338 2.378 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Oc2cnccn2)c1 ZINC000826446950 607354518 /nfs/dbraw/zinc/35/45/18/607354518.db2.gz GPCSNYMCWWZLCG-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826447318 607463871 /nfs/dbraw/zinc/46/38/71/607463871.db2.gz ZRXZNRSEWPBIID-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C)cc(C)n2)cc(-c2nnn[n-]2)n1C ZINC000826266042 607629947 /nfs/dbraw/zinc/62/99/47/607629947.db2.gz ZPJGNZFLBDUTFB-AUWJEWJLSA-N -1 3 362.397 2.071 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)Nc2cc(C)cc(C)n2)cc(-c2nn[n-]n2)n1C ZINC000826266042 607629949 /nfs/dbraw/zinc/62/99/49/607629949.db2.gz ZPJGNZFLBDUTFB-AUWJEWJLSA-N -1 3 362.397 2.071 20 50 FEGDHM COc1cccc(C(C)=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826214576 607720805 /nfs/dbraw/zinc/72/08/05/607720805.db2.gz PYVMDOHNNBFMII-FMIVXFBMSA-N -1 3 350.382 2.422 20 50 FEGDHM COc1cccc(C(C)=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826214576 607720808 /nfs/dbraw/zinc/72/08/08/607720808.db2.gz PYVMDOHNNBFMII-FMIVXFBMSA-N -1 3 350.382 2.422 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826448302 607721908 /nfs/dbraw/zinc/72/19/08/607721908.db2.gz PXUAVTDHJBMZST-VXGBXAGGSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000826448302 607721910 /nfs/dbraw/zinc/72/19/10/607721910.db2.gz PXUAVTDHJBMZST-VXGBXAGGSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826447907 607730025 /nfs/dbraw/zinc/73/00/25/607730025.db2.gz ATGAGLLVGXVZSL-GXTWGEPZSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826447907 607730028 /nfs/dbraw/zinc/73/00/28/607730028.db2.gz ATGAGLLVGXVZSL-GXTWGEPZSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826447908 607730120 /nfs/dbraw/zinc/73/01/20/607730120.db2.gz ATGAGLLVGXVZSL-JSGCOSHPSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826447908 607730122 /nfs/dbraw/zinc/73/01/22/607730122.db2.gz ATGAGLLVGXVZSL-JSGCOSHPSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000826448039 607730508 /nfs/dbraw/zinc/73/05/08/607730508.db2.gz FRYAWIMNSZPURJ-UHFFFAOYSA-N -1 3 365.328 2.017 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000826448039 607730510 /nfs/dbraw/zinc/73/05/10/607730510.db2.gz FRYAWIMNSZPURJ-UHFFFAOYSA-N -1 3 365.328 2.017 20 50 FEGDHM CC(C)c1nc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccn21 ZINC000824358736 607887364 /nfs/dbraw/zinc/88/73/64/607887364.db2.gz PLWDGSSFKVMYTD-UHFFFAOYSA-N -1 3 374.408 2.402 20 50 FEGDHM CC(C)c1nc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccn21 ZINC000824358736 607887365 /nfs/dbraw/zinc/88/73/65/607887365.db2.gz PLWDGSSFKVMYTD-UHFFFAOYSA-N -1 3 374.408 2.402 20 50 FEGDHM CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823948386 608091492 /nfs/dbraw/zinc/09/14/92/608091492.db2.gz KJANMOXCAYQFOS-UHFFFAOYSA-N -1 3 370.438 2.464 20 50 FEGDHM CC(=O)Nc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000824004671 608803076 /nfs/dbraw/zinc/80/30/76/608803076.db2.gz CMFXULSXRAZCBJ-UHFFFAOYSA-N -1 3 366.385 2.282 20 50 FEGDHM CC(=O)Nc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000824004671 608803079 /nfs/dbraw/zinc/80/30/79/608803079.db2.gz CMFXULSXRAZCBJ-UHFFFAOYSA-N -1 3 366.385 2.282 20 50 FEGDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826263901 608817856 /nfs/dbraw/zinc/81/78/56/608817856.db2.gz VILJOXVPSGGZFY-UHFFFAOYSA-N -1 3 367.369 2.457 20 50 FEGDHM C[C@H](C#N)Oc1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824034765 609164190 /nfs/dbraw/zinc/16/41/90/609164190.db2.gz ORUOWUMFDNIQRP-LLVKDONJSA-N -1 3 364.369 2.306 20 50 FEGDHM C[C@H](C#N)Oc1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824034765 609164191 /nfs/dbraw/zinc/16/41/91/609164191.db2.gz ORUOWUMFDNIQRP-LLVKDONJSA-N -1 3 364.369 2.306 20 50 FEGDHM COCCCOc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826157149 607337208 /nfs/dbraw/zinc/33/72/08/607337208.db2.gz JXGPZHWQNKLLJQ-UHFFFAOYSA-N -1 3 368.397 2.039 20 50 FEGDHM COCCCOc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826157149 607337210 /nfs/dbraw/zinc/33/72/10/607337210.db2.gz JXGPZHWQNKLLJQ-UHFFFAOYSA-N -1 3 368.397 2.039 20 50 FEGDHM N#CCSc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826381917 607344644 /nfs/dbraw/zinc/34/46/44/607344644.db2.gz FYWCIGCWAOOWPZ-UHFFFAOYSA-N -1 3 351.395 2.239 20 50 FEGDHM CCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825705258 607348123 /nfs/dbraw/zinc/34/81/23/607348123.db2.gz ZZZSJLTVQITBJL-UHFFFAOYSA-N -1 3 353.342 2.094 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC2CC2)cc1 ZINC000826446834 607348864 /nfs/dbraw/zinc/34/88/64/607348864.db2.gz AQVWVAVTQJZPJT-UHFFFAOYSA-N -1 3 350.382 2.412 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000826446238 607347113 /nfs/dbraw/zinc/34/71/13/607347113.db2.gz FCTRWZRFULDTPU-LBPRGKRZSA-N -1 3 370.800 2.215 20 50 FEGDHM Cc1oc(-c2ccco2)nc1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826340663 607351782 /nfs/dbraw/zinc/35/17/82/607351782.db2.gz GVXWTEPMMKOXDL-UHFFFAOYSA-N -1 3 365.353 2.109 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000826447453 607357127 /nfs/dbraw/zinc/35/71/27/607357127.db2.gz GLKRVPIBJXNMNO-UHFFFAOYSA-N -1 3 358.365 2.081 20 50 FEGDHM O=C(NNc1cccc(Br)c1)c1sccc1-c1nnn[n-]1 ZINC000826449445 607713067 /nfs/dbraw/zinc/71/30/67/607713067.db2.gz SYZLHKCVDGFKCO-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NNc1cccc(Br)c1)c1sccc1-c1nn[n-]n1 ZINC000826449445 607713069 /nfs/dbraw/zinc/71/30/69/607713069.db2.gz SYZLHKCVDGFKCO-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1Cc1ccccc1 ZINC000826234786 607713804 /nfs/dbraw/zinc/71/38/04/607713804.db2.gz NYTIHZDULAVRQA-UHFFFAOYSA-N -1 3 374.408 2.177 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1Cc1ccccc1 ZINC000826234786 607713806 /nfs/dbraw/zinc/71/38/06/607713806.db2.gz NYTIHZDULAVRQA-UHFFFAOYSA-N -1 3 374.408 2.177 20 50 FEGDHM Cc1cccc(OCCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826299961 607714037 /nfs/dbraw/zinc/71/40/37/607714037.db2.gz CEDZHHGDQRWYJK-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM Cc1cccc(OCCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826299961 607714038 /nfs/dbraw/zinc/71/40/38/607714038.db2.gz CEDZHHGDQRWYJK-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM CCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000825688372 607722186 /nfs/dbraw/zinc/72/21/86/607722186.db2.gz WSIYOSFARGGOKL-UHFFFAOYSA-N -1 3 374.408 2.372 20 50 FEGDHM CCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000825688372 607722187 /nfs/dbraw/zinc/72/21/87/607722187.db2.gz WSIYOSFARGGOKL-UHFFFAOYSA-N -1 3 374.408 2.372 20 50 FEGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826259772 607726034 /nfs/dbraw/zinc/72/60/34/607726034.db2.gz FIEYCEOPUJOTSY-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826259772 607726035 /nfs/dbraw/zinc/72/60/35/607726035.db2.gz FIEYCEOPUJOTSY-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826323232 607731646 /nfs/dbraw/zinc/73/16/46/607731646.db2.gz VYEYGGMXWOVQSA-UHFFFAOYSA-N -1 3 372.392 2.389 20 50 FEGDHM Cc1nc(-c2ccccc2)ncc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826323232 607731648 /nfs/dbraw/zinc/73/16/48/607731648.db2.gz VYEYGGMXWOVQSA-UHFFFAOYSA-N -1 3 372.392 2.389 20 50 FEGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833472291 605183627 /nfs/dbraw/zinc/18/36/27/605183627.db2.gz AHZDRJUOFHKISM-CJNGLKHVSA-N -1 3 363.458 2.010 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cncs1 ZINC000823281109 606129182 /nfs/dbraw/zinc/12/91/82/606129182.db2.gz MKKZMTQAJWIJDT-UHFFFAOYSA-N -1 3 355.305 2.099 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cncs1 ZINC000823281109 606129183 /nfs/dbraw/zinc/12/91/83/606129183.db2.gz MKKZMTQAJWIJDT-UHFFFAOYSA-N -1 3 355.305 2.099 20 50 FEGDHM COc1ccccc1SCC(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826220928 608054391 /nfs/dbraw/zinc/05/43/91/608054391.db2.gz HBOBAHJLPCMWFS-UHFFFAOYSA-N -1 3 374.451 2.179 20 50 FEGDHM COc1ccccc1SCC(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826220928 608054392 /nfs/dbraw/zinc/05/43/92/608054392.db2.gz HBOBAHJLPCMWFS-UHFFFAOYSA-N -1 3 374.451 2.179 20 50 FEGDHM CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948505 608091763 /nfs/dbraw/zinc/09/17/63/608091763.db2.gz PSEOMMPPNRXHDH-UHFFFAOYSA-N -1 3 370.438 2.464 20 50 FEGDHM Cn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(-c2cccs2)n1 ZINC000826358952 608546278 /nfs/dbraw/zinc/54/62/78/608546278.db2.gz OYUCTKKGPHEHFY-UHFFFAOYSA-N -1 3 366.410 2.086 20 50 FEGDHM Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(-c2cccs2)n1 ZINC000826358952 608546280 /nfs/dbraw/zinc/54/62/80/608546280.db2.gz OYUCTKKGPHEHFY-UHFFFAOYSA-N -1 3 366.410 2.086 20 50 FEGDHM COc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826209656 608804376 /nfs/dbraw/zinc/80/43/76/608804376.db2.gz KZBKGEUIOIMULX-UHFFFAOYSA-N -1 3 355.358 2.033 20 50 FEGDHM COc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826209656 608804378 /nfs/dbraw/zinc/80/43/78/608804378.db2.gz KZBKGEUIOIMULX-UHFFFAOYSA-N -1 3 355.358 2.033 20 50 FEGDHM CCCCn1ncc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000825301255 608817017 /nfs/dbraw/zinc/81/70/17/608817017.db2.gz KQYXDZDKDGPDGV-UHFFFAOYSA-N -1 3 355.406 2.320 20 50 FEGDHM CCCCn1ncc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000825301255 608817019 /nfs/dbraw/zinc/81/70/19/608817019.db2.gz KQYXDZDKDGPDGV-UHFFFAOYSA-N -1 3 355.406 2.320 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948758 609159016 /nfs/dbraw/zinc/15/90/16/609159016.db2.gz WRTCSJGTTGQLRB-UHFFFAOYSA-N -1 3 368.372 2.184 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948758 609159018 /nfs/dbraw/zinc/15/90/18/609159018.db2.gz WRTCSJGTTGQLRB-UHFFFAOYSA-N -1 3 368.372 2.184 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948578 609275431 /nfs/dbraw/zinc/27/54/31/609275431.db2.gz SOUKAXWUCKNCSU-UHFFFAOYSA-N -1 3 352.373 2.479 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948578 609275432 /nfs/dbraw/zinc/27/54/32/609275432.db2.gz SOUKAXWUCKNCSU-UHFFFAOYSA-N -1 3 352.373 2.479 20 50 FEGDHM COc1ccc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826190908 607335476 /nfs/dbraw/zinc/33/54/76/607335476.db2.gz QNDJTNWEQFVZSK-VQHVLOKHSA-N -1 3 366.381 2.040 20 50 FEGDHM COc1ccc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826190908 607335478 /nfs/dbraw/zinc/33/54/78/607335478.db2.gz QNDJTNWEQFVZSK-VQHVLOKHSA-N -1 3 366.381 2.040 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccoc2)n1 ZINC000826447581 607343776 /nfs/dbraw/zinc/34/37/76/607343776.db2.gz MDYOPEXTXOZHBY-UHFFFAOYSA-N -1 3 353.367 2.340 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCC1CC1 ZINC000826447253 607346404 /nfs/dbraw/zinc/34/64/04/607346404.db2.gz WPQQUPJRBWCQAD-UHFFFAOYSA-N -1 3 350.382 2.412 20 50 FEGDHM Cc1c(NNC(=O)C=Cc2ccccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826242787 607396215 /nfs/dbraw/zinc/39/62/15/607396215.db2.gz GGIQBHGUFNLBBE-MDZDMXLPSA-N -1 3 365.353 2.240 20 50 FEGDHM Cc1c(NNC(=O)C=Cc2ccccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826242787 607396217 /nfs/dbraw/zinc/39/62/17/607396217.db2.gz GGIQBHGUFNLBBE-MDZDMXLPSA-N -1 3 365.353 2.240 20 50 FEGDHM C[C@@H](CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824401587 607537168 /nfs/dbraw/zinc/53/71/68/607537168.db2.gz QSEGQXHJAPPLPZ-ZDUSSCGKSA-N -1 3 364.409 2.212 20 50 FEGDHM C[C@@H](CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824401587 607537170 /nfs/dbraw/zinc/53/71/70/607537170.db2.gz QSEGQXHJAPPLPZ-ZDUSSCGKSA-N -1 3 364.409 2.212 20 50 FEGDHM COc1ccccc1C(C)(C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826219075 607713544 /nfs/dbraw/zinc/71/35/44/607713544.db2.gz SFGMAMUCQHBJBB-UHFFFAOYSA-N -1 3 352.398 2.296 20 50 FEGDHM COc1ccccc1C(C)(C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826219075 607713546 /nfs/dbraw/zinc/71/35/46/607713546.db2.gz SFGMAMUCQHBJBB-UHFFFAOYSA-N -1 3 352.398 2.296 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccncc2)s1 ZINC000826449246 607718305 /nfs/dbraw/zinc/71/83/05/607718305.db2.gz JAUMSLXYWNSPPR-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccncc2)s1 ZINC000826449246 607718308 /nfs/dbraw/zinc/71/83/08/607718308.db2.gz JAUMSLXYWNSPPR-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000826448299 607721792 /nfs/dbraw/zinc/72/17/92/607721792.db2.gz PXUAVTDHJBMZST-NEPJUHHUSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000826448299 607721794 /nfs/dbraw/zinc/72/17/94/607721794.db2.gz PXUAVTDHJBMZST-NEPJUHHUSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(Cc1ccccc1OC(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826423712 607722939 /nfs/dbraw/zinc/72/29/39/607722939.db2.gz CEAUWODTSAUSPP-UHFFFAOYSA-N -1 3 360.324 2.154 20 50 FEGDHM O=C(Cc1ccccc1OC(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826423712 607722941 /nfs/dbraw/zinc/72/29/41/607722941.db2.gz CEAUWODTSAUSPP-UHFFFAOYSA-N -1 3 360.324 2.154 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823280614 607213979 /nfs/dbraw/zinc/21/39/79/607213979.db2.gz DINWBFLRRCEURT-OAHLLOKOSA-N -1 3 371.445 2.375 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000823280614 607213980 /nfs/dbraw/zinc/21/39/80/607213980.db2.gz DINWBFLRRCEURT-OAHLLOKOSA-N -1 3 371.445 2.375 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000826444376 607889968 /nfs/dbraw/zinc/88/99/68/607889968.db2.gz CUYNOEIAMTZCRX-UHFFFAOYSA-N -1 3 371.198 2.393 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000826444376 607889969 /nfs/dbraw/zinc/88/99/69/607889969.db2.gz CUYNOEIAMTZCRX-UHFFFAOYSA-N -1 3 371.198 2.393 20 50 FEGDHM CC(=NNC(=O)NCCc1cccs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948521 608094453 /nfs/dbraw/zinc/09/44/53/608094453.db2.gz QKACCMLNYQIYTR-UHFFFAOYSA-N -1 3 361.456 2.256 20 50 FEGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1c(Cl)cc(F)cc1Cl ZINC000826357346 608450523 /nfs/dbraw/zinc/45/05/23/608450523.db2.gz BIGIHNVGVLKHHE-UHFFFAOYSA-N -1 3 370.175 2.408 20 50 FEGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1c(Cl)cc(F)cc1Cl ZINC000826357346 608450525 /nfs/dbraw/zinc/45/05/25/608450525.db2.gz BIGIHNVGVLKHHE-UHFFFAOYSA-N -1 3 370.175 2.408 20 50 FEGDHM CC(=NNC(=O)COc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823947993 609156776 /nfs/dbraw/zinc/15/67/76/609156776.db2.gz BAJYFQHTSIWICB-UHFFFAOYSA-N -1 3 368.372 2.233 20 50 FEGDHM CC(=NNC(=O)COc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823947993 609156778 /nfs/dbraw/zinc/15/67/78/609156778.db2.gz BAJYFQHTSIWICB-UHFFFAOYSA-N -1 3 368.372 2.233 20 50 FEGDHM COc1cccc(NNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826216815 609159808 /nfs/dbraw/zinc/15/98/08/609159808.db2.gz OSASSZKHNJFNET-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM COc1cccc(NNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826216815 609159810 /nfs/dbraw/zinc/15/98/10/609159810.db2.gz OSASSZKHNJFNET-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM C[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000824500364 609451966 /nfs/dbraw/zinc/45/19/66/609451966.db2.gz VQQSKWCTRBHCCG-SECBINFHSA-N -1 3 358.793 2.302 20 50 FEGDHM C[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000824500364 609451967 /nfs/dbraw/zinc/45/19/67/609451967.db2.gz VQQSKWCTRBHCCG-SECBINFHSA-N -1 3 358.793 2.302 20 50 FEGDHM CC(C)Oc1cccc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824334619 607340033 /nfs/dbraw/zinc/34/00/33/607340033.db2.gz ZLQAZVNEOCZVAM-UHFFFAOYSA-N -1 3 352.398 2.340 20 50 FEGDHM O=C(Cc1ccc(-n2cccc2)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826422068 607340773 /nfs/dbraw/zinc/34/07/73/607340773.db2.gz LKQUHQHTWUWFID-UHFFFAOYSA-N -1 3 359.393 2.343 20 50 FEGDHM COc1ccc(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826191367 607345591 /nfs/dbraw/zinc/34/55/91/607345591.db2.gz DZNCJJUJDMNUKY-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM O=C(CCCOc1ccc(F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406390 607351967 /nfs/dbraw/zinc/35/19/67/607351967.db2.gz UWKRERLAPHMKPO-UHFFFAOYSA-N -1 3 356.361 2.308 20 50 FEGDHM Cc1ccc(-c2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)[nH]n2)cc1 ZINC000826272877 607352780 /nfs/dbraw/zinc/35/27/80/607352780.db2.gz FPQHZTSPKULPGH-UHFFFAOYSA-N -1 3 360.381 2.322 20 50 FEGDHM Cc1c(Cl)cccc1NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826236858 607393272 /nfs/dbraw/zinc/39/32/72/607393272.db2.gz FATMWDCQGXXHTP-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000826448347 607715672 /nfs/dbraw/zinc/71/56/72/607715672.db2.gz RDLYIPXKDODYIU-HNAYVOBHSA-N -1 3 362.393 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CC[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825160136 607341595 /nfs/dbraw/zinc/34/15/95/607341595.db2.gz XPHAOUFUWUVEIA-CQSZACIVSA-N -1 3 356.361 2.307 20 50 FEGDHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824738982 607345319 /nfs/dbraw/zinc/34/53/19/607345319.db2.gz TVESHMKMARWWBC-VIFPVBQESA-N -1 3 360.324 2.056 20 50 FEGDHM CC(C)Oc1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000824337940 607350943 /nfs/dbraw/zinc/35/09/43/607350943.db2.gz KSHZQYVNSZFVRM-UHFFFAOYSA-N -1 3 373.804 2.459 20 50 FEGDHM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826256356 607397922 /nfs/dbraw/zinc/39/79/22/607397922.db2.gz FJMBMVLCJQSONW-UHFFFAOYSA-N -1 3 374.202 2.090 20 50 FEGDHM Cc1cc(Br)ccc1NNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826256356 607397923 /nfs/dbraw/zinc/39/79/23/607397923.db2.gz FJMBMVLCJQSONW-UHFFFAOYSA-N -1 3 374.202 2.090 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=CC=Cc1ccc(F)cc1 ZINC000826419159 607652424 /nfs/dbraw/zinc/65/24/24/607652424.db2.gz 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O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823280768 606643095 /nfs/dbraw/zinc/64/30/95/606643095.db2.gz FTXLUPOVPNNECE-UHFFFAOYSA-N -1 3 358.365 2.081 20 50 FEGDHM O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823280768 606643096 /nfs/dbraw/zinc/64/30/96/606643096.db2.gz FTXLUPOVPNNECE-UHFFFAOYSA-N -1 3 358.365 2.081 20 50 FEGDHM CCCCCCCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825272309 607854620 /nfs/dbraw/zinc/85/46/20/607854620.db2.gz ZWIAMIYAMVIMOC-UHFFFAOYSA-N -1 3 359.434 2.171 20 50 FEGDHM CCCCCCCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825272309 607854621 /nfs/dbraw/zinc/85/46/21/607854621.db2.gz ZWIAMIYAMVIMOC-UHFFFAOYSA-N -1 3 359.434 2.171 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444497 607894343 /nfs/dbraw/zinc/89/43/43/607894343.db2.gz JKCAZLVVJVUFGG-WOSRLPQWSA-N -1 3 368.441 2.234 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444497 607894344 /nfs/dbraw/zinc/89/43/44/607894344.db2.gz JKCAZLVVJVUFGG-WOSRLPQWSA-N -1 3 368.441 2.234 20 50 FEGDHM CS[C@@H](C)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826225132 607943126 /nfs/dbraw/zinc/94/31/26/607943126.db2.gz UGMPPKSQXSOSOW-ZETCQYMHSA-N -1 3 360.365 2.470 20 50 FEGDHM CS[C@@H](C)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826225132 607943127 /nfs/dbraw/zinc/94/31/27/607943127.db2.gz UGMPPKSQXSOSOW-ZETCQYMHSA-N -1 3 360.365 2.470 20 50 FEGDHM CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948523 608091605 /nfs/dbraw/zinc/09/16/05/608091605.db2.gz QMTRAYHJFONOTM-UHFFFAOYSA-N -1 3 355.427 2.189 20 50 FEGDHM CC(=NNC(=O)CNc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948479 609157036 /nfs/dbraw/zinc/15/70/36/609157036.db2.gz OPEBGRSEZIYVFB-UHFFFAOYSA-N -1 3 371.351 2.097 20 50 FEGDHM CC(=NNC(=O)CNc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948479 609157038 /nfs/dbraw/zinc/15/70/38/609157038.db2.gz OPEBGRSEZIYVFB-UHFFFAOYSA-N -1 3 371.351 2.097 20 50 FEGDHM CCN(C)[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825391152 607337204 /nfs/dbraw/zinc/33/72/04/607337204.db2.gz VTDVXUQRKRNVTO-INIZCTEOSA-N -1 3 351.414 2.003 20 50 FEGDHM O=C(NNc1ccccc1F)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449449 607338590 /nfs/dbraw/zinc/33/85/90/607338590.db2.gz TZKQPQJEWQLTPC-INIZCTEOSA-N -1 3 367.388 2.118 20 50 FEGDHM C[C@@H](CCOc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824406501 607344894 /nfs/dbraw/zinc/34/48/94/607344894.db2.gz LRNHSKPMRMMECM-ZDUSSCGKSA-N -1 3 352.398 2.415 20 50 FEGDHM Cc1cc(Br)oc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826256366 607349353 /nfs/dbraw/zinc/34/93/53/607349353.db2.gz FTFWSIQFTBWPQP-UHFFFAOYSA-N -1 3 363.175 2.288 20 50 FEGDHM CC[C@H](Oc1ccccc1C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825159402 607350090 /nfs/dbraw/zinc/35/00/90/607350090.db2.gz OPRFPYSDMUAOQV-HNNXBMFYSA-N -1 3 352.398 2.476 20 50 FEGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000826234851 607350297 /nfs/dbraw/zinc/35/02/97/607350297.db2.gz QQIMFFXHEZGAHI-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM CCOCCOc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825605567 607713798 /nfs/dbraw/zinc/71/37/98/607713798.db2.gz YDNJTKGHGUGEKP-UHFFFAOYSA-N -1 3 368.397 2.039 20 50 FEGDHM CCOCCOc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825605567 607713800 /nfs/dbraw/zinc/71/38/00/607713800.db2.gz YDNJTKGHGUGEKP-UHFFFAOYSA-N -1 3 368.397 2.039 20 50 FEGDHM COc1ccc(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191506 607719137 /nfs/dbraw/zinc/71/91/37/607719137.db2.gz IKFHTXIKODAZKQ-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM COc1ccc(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191506 607719139 /nfs/dbraw/zinc/71/91/39/607719139.db2.gz IKFHTXIKODAZKQ-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM COc1ccc(Cl)cc1NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826208370 607720659 /nfs/dbraw/zinc/72/06/59/607720659.db2.gz HNLIPQYRTJMPRJ-UHFFFAOYSA-N -1 3 373.804 2.084 20 50 FEGDHM COc1ccc(Cl)cc1NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826208370 607720661 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20 50 FEGDHM Cc1ccc(C)c(OCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826285231 607715523 /nfs/dbraw/zinc/71/55/23/607715523.db2.gz STBCHVPHUXTJMV-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM Cc1ccc(C)c(OCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826285231 607715525 /nfs/dbraw/zinc/71/55/25/607715525.db2.gz STBCHVPHUXTJMV-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM CC[C@H](Oc1cccc(C)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825158884 607724053 /nfs/dbraw/zinc/72/40/53/607724053.db2.gz DBXHYJUSAYIBKB-INIZCTEOSA-N -1 3 352.398 2.476 20 50 FEGDHM CC[C@H](Oc1cccc(C)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825158884 607724054 /nfs/dbraw/zinc/72/40/54/607724054.db2.gz DBXHYJUSAYIBKB-INIZCTEOSA-N -1 3 352.398 2.476 20 50 FEGDHM Cc1ccn(-c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826308576 607728245 /nfs/dbraw/zinc/72/82/45/607728245.db2.gz GLBWIKLKEVFPBC-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1ccn(-c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826308576 607728247 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ZINC000826448649 608075173 /nfs/dbraw/zinc/07/51/73/608075173.db2.gz FDIZVQWZQFTFJA-OAHLLOKOSA-N -1 3 350.382 2.128 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000826448649 608075174 /nfs/dbraw/zinc/07/51/74/608075174.db2.gz FDIZVQWZQFTFJA-OAHLLOKOSA-N -1 3 350.382 2.128 20 50 FEGDHM CC(C)(C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000824064985 608304473 /nfs/dbraw/zinc/30/44/73/608304473.db2.gz RFAJELZWOPOXJI-UHFFFAOYSA-N -1 3 356.430 2.234 20 50 FEGDHM CC(C)(C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000824064985 608304474 /nfs/dbraw/zinc/30/44/74/608304474.db2.gz RFAJELZWOPOXJI-UHFFFAOYSA-N -1 3 356.430 2.234 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948466 609158845 /nfs/dbraw/zinc/15/88/45/609158845.db2.gz OCWLGADCRYBLNU-UHFFFAOYSA-N -1 3 352.373 2.479 20 50 FEGDHM CC(=NNC(=O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948466 609158846 /nfs/dbraw/zinc/15/88/46/609158846.db2.gz OCWLGADCRYBLNU-UHFFFAOYSA-N -1 3 352.373 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COc1ccc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC000826189996 607345493 /nfs/dbraw/zinc/34/54/93/607345493.db2.gz MCSDVCZYNMOJEI-UHFFFAOYSA-N -1 3 364.409 2.440 20 50 FEGDHM Cc1ccccc1OCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826307776 607345823 /nfs/dbraw/zinc/34/58/23/607345823.db2.gz WIYPARCDWDHFKX-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM Cc1ccnn1-c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826315596 607355646 /nfs/dbraw/zinc/35/56/46/607355646.db2.gz NKWLQYKGFJCISO-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)c(F)c1F ZINC000826447190 607355924 /nfs/dbraw/zinc/35/59/24/607355924.db2.gz SCYAKWCYEYEPOR-UHFFFAOYSA-N -1 3 352.251 2.180 20 50 FEGDHM Cc1c(Cl)cccc1NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826237283 607393275 /nfs/dbraw/zinc/39/32/75/607393275.db2.gz USUAUBWLCSVLSU-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM Cc1c(Cl)cccc1NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826237283 607393277 /nfs/dbraw/zinc/39/32/77/607393277.db2.gz 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Cn1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826359577 608218826 /nfs/dbraw/zinc/21/88/26/608218826.db2.gz KZYNHJSWSWQDQY-UHFFFAOYSA-N -1 3 372.392 2.031 20 50 FEGDHM CCCn1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C1CC1 ZINC000825361113 608243962 /nfs/dbraw/zinc/24/39/62/608243962.db2.gz CDCRJOZYSHDEAW-UHFFFAOYSA-N -1 3 352.402 2.108 20 50 FEGDHM O=C(C[C@@H](O)c1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404335 608277532 /nfs/dbraw/zinc/27/75/32/608277532.db2.gz WOVZXQRJESMQAC-CQSZACIVSA-N -1 3 358.789 2.087 20 50 FEGDHM O=C(C[C@@H](O)c1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404335 608277533 /nfs/dbraw/zinc/27/75/33/608277533.db2.gz WOVZXQRJESMQAC-CQSZACIVSA-N -1 3 358.789 2.087 20 50 FEGDHM CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824853122 608289778 /nfs/dbraw/zinc/28/97/78/608289778.db2.gz WFEVYYAYAMVEQP-DZGCQCFKSA-N -1 3 354.414 2.340 20 50 FEGDHM CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824853122 608289780 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FEGDHM Cc1cc(C(=O)NNc2cccc(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826299593 609143804 /nfs/dbraw/zinc/14/38/04/609143804.db2.gz MAEUBGSRPLOROH-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1cc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000826266447 609514882 /nfs/dbraw/zinc/51/48/82/609514882.db2.gz PCSAINBITIHHJM-UHFFFAOYSA-N -1 3 370.800 2.358 20 50 FEGDHM Cc1cc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000826266447 609514883 /nfs/dbraw/zinc/51/48/83/609514883.db2.gz PCSAINBITIHHJM-UHFFFAOYSA-N -1 3 370.800 2.358 20 50 FEGDHM N#CCn1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000826382770 607348397 /nfs/dbraw/zinc/34/83/97/607348397.db2.gz UEZLUQVPBPNOFF-UHFFFAOYSA-N -1 3 358.365 2.102 20 50 FEGDHM CCCOc1cccc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825341323 607350193 /nfs/dbraw/zinc/35/01/93/607350193.db2.gz AAVMWXMTYYBLIY-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM O=C(C#Cc1ccccc1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826396753 607395115 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Cc1ccc(OCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826292285 607725789 /nfs/dbraw/zinc/72/57/89/607725789.db2.gz OSUHWTZVXDGBBE-UHFFFAOYSA-N -1 3 352.398 2.396 20 50 FEGDHM O=C(CCSCc1ccccn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408231 607729818 /nfs/dbraw/zinc/72/98/18/607729818.db2.gz WJLPEFCYCMCQEN-UHFFFAOYSA-N -1 3 355.427 2.028 20 50 FEGDHM O=C(CCSCc1ccccn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408231 607729820 /nfs/dbraw/zinc/72/98/20/607729820.db2.gz WJLPEFCYCMCQEN-UHFFFAOYSA-N -1 3 355.427 2.028 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC(F)(F)C1 ZINC000823280530 606632980 /nfs/dbraw/zinc/63/29/80/606632980.db2.gz AABMMUQFAPQVMT-UHFFFAOYSA-N -1 3 362.262 2.374 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC(F)(F)C1 ZINC000823280530 606632981 /nfs/dbraw/zinc/63/29/81/606632981.db2.gz AABMMUQFAPQVMT-UHFFFAOYSA-N -1 3 362.262 2.374 20 50 FEGDHM CCCCc1nc(Cl)c(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000825296464 607887760 /nfs/dbraw/zinc/88/77/60/607887760.db2.gz KAHBEGXZWPGIMH-UHFFFAOYSA-N -1 3 372.820 2.350 20 50 FEGDHM CC(C)CCn1cccc1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824249619 607888362 /nfs/dbraw/zinc/88/83/62/607888362.db2.gz QFESKJBBVRHFCK-UHFFFAOYSA-N -1 3 351.414 2.478 20 50 FEGDHM CC(C)CCn1cccc1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824249619 607888363 /nfs/dbraw/zinc/88/83/63/607888363.db2.gz QFESKJBBVRHFCK-UHFFFAOYSA-N -1 3 351.414 2.478 20 50 FEGDHM COc1ccc(C[C@@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826190944 607995648 /nfs/dbraw/zinc/99/56/48/607995648.db2.gz RMCOAAHWODNWSP-GFCCVEGCSA-N -1 3 352.398 2.197 20 50 FEGDHM COc1ccc(C[C@@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826190944 607995649 /nfs/dbraw/zinc/99/56/49/607995649.db2.gz RMCOAAHWODNWSP-GFCCVEGCSA-N -1 3 352.398 2.197 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2cccnc2)s1 ZINC000826447771 608074914 /nfs/dbraw/zinc/07/49/14/608074914.db2.gz VHXQOALXHBMMQL-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM COc1ccc2oc(C=NNC(=O)c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826214051 608110506 /nfs/dbraw/zinc/11/05/06/608110506.db2.gz YBHLIDZYNMDHQH-UHFFFAOYSA-N -1 3 362.349 2.385 20 50 FEGDHM COc1ccc2oc(C=NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826214051 608110507 /nfs/dbraw/zinc/11/05/07/608110507.db2.gz YBHLIDZYNMDHQH-UHFFFAOYSA-N -1 3 362.349 2.385 20 50 FEGDHM CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824853124 608289532 /nfs/dbraw/zinc/28/95/32/608289532.db2.gz WFEVYYAYAMVEQP-UKRRQHHQSA-N -1 3 354.414 2.340 20 50 FEGDHM CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824853124 608289534 /nfs/dbraw/zinc/28/95/34/608289534.db2.gz WFEVYYAYAMVEQP-UKRRQHHQSA-N -1 3 354.414 2.340 20 50 FEGDHM COCCOc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826162938 608804273 /nfs/dbraw/zinc/80/42/73/608804273.db2.gz ZDHZDGJJJVZCTC-UHFFFAOYSA-N -1 3 369.385 2.041 20 50 FEGDHM COCCOc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826162938 608804277 /nfs/dbraw/zinc/80/42/77/608804277.db2.gz ZDHZDGJJJVZCTC-UHFFFAOYSA-N -1 3 369.385 2.041 20 50 FEGDHM N#CCOc1cc(F)ccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826382262 608818001 /nfs/dbraw/zinc/81/80/01/608818001.db2.gz WADORRAKUCJZEE-UHFFFAOYSA-N -1 3 368.332 2.057 20 50 FEGDHM N#CCOc1cc(F)ccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826382262 608818004 /nfs/dbraw/zinc/81/80/04/608818004.db2.gz WADORRAKUCJZEE-UHFFFAOYSA-N -1 3 368.332 2.057 20 50 FEGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826259946 609260131 /nfs/dbraw/zinc/26/01/31/609260131.db2.gz NVJCWZZJFFYIGL-NSHDSACASA-N -1 3 352.402 2.100 20 50 FEGDHM C[C@@]1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCOC1 ZINC000824784695 609297072 /nfs/dbraw/zinc/29/70/72/609297072.db2.gz ZHULNMKJCVEMJO-CQSZACIVSA-N -1 3 370.335 2.145 20 50 FEGDHM C[C@@]1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCOC1 ZINC000824784695 609297073 /nfs/dbraw/zinc/29/70/73/609297073.db2.gz ZHULNMKJCVEMJO-CQSZACIVSA-N -1 3 370.335 2.145 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000826446585 607353022 /nfs/dbraw/zinc/35/30/22/607353022.db2.gz QXEQGSHCAPSKKO-GXTWGEPZSA-N -1 3 356.336 2.392 20 50 FEGDHM COc1ccc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826191106 607355041 /nfs/dbraw/zinc/35/50/41/607355041.db2.gz XFICNYSPVCDTLR-ONNFQVAWSA-N -1 3 366.381 2.040 20 50 FEGDHM CN(C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000825848479 607356519 /nfs/dbraw/zinc/35/65/19/607356519.db2.gz DEKDLOUNSVSIAZ-OAHLLOKOSA-N -1 3 371.832 2.266 20 50 FEGDHM CCO[C@@H](CC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825576246 607394510 /nfs/dbraw/zinc/39/45/10/607394510.db2.gz CRTMORXGOGTCJR-NSHDSACASA-N -1 3 358.324 2.144 20 50 FEGDHM CCO[C@@H](CC)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825576246 607394512 /nfs/dbraw/zinc/39/45/12/607394512.db2.gz CRTMORXGOGTCJR-NSHDSACASA-N -1 3 358.324 2.144 20 50 FEGDHM Cc1cc(Br)ccc1NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826256637 607396405 /nfs/dbraw/zinc/39/64/05/607396405.db2.gz SQGYTFNINZSTCX-UHFFFAOYSA-N -1 3 362.191 2.023 20 50 FEGDHM Cc1cc(Br)ccc1NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826256637 607396406 /nfs/dbraw/zinc/39/64/06/607396406.db2.gz SQGYTFNINZSTCX-UHFFFAOYSA-N -1 3 362.191 2.023 20 50 FEGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826423435 607397170 /nfs/dbraw/zinc/39/71/70/607397170.db2.gz OVNXPGXKYFELRG-UHFFFAOYSA-N -1 3 373.760 2.114 20 50 FEGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1ccc([N+](=O)[O-])cc1Cl ZINC000826423435 607397171 /nfs/dbraw/zinc/39/71/71/607397171.db2.gz OVNXPGXKYFELRG-UHFFFAOYSA-N -1 3 373.760 2.114 20 50 FEGDHM CCN(CC)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825415661 607462571 /nfs/dbraw/zinc/46/25/71/607462571.db2.gz DKBZFBQVQFFOBB-UHFFFAOYSA-N -1 3 351.414 2.470 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1nc2c(s1)CCCC2 ZINC000826446488 607672712 /nfs/dbraw/zinc/67/27/12/607672712.db2.gz NJVIDIGWZYXREX-UHFFFAOYSA-N -1 3 356.415 2.351 20 50 FEGDHM Cc1cc(Cl)ccc1OCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826267420 607711682 /nfs/dbraw/zinc/71/16/82/607711682.db2.gz FBIUNIFKGDDDOG-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM Cc1cc(Cl)ccc1OCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826267420 607711684 /nfs/dbraw/zinc/71/16/84/607711684.db2.gz FBIUNIFKGDDDOG-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNc1cccc([N+](=O)[O-])c1 ZINC000826420194 607712397 /nfs/dbraw/zinc/71/23/97/607712397.db2.gz CBYKBIDIANIAKE-UHFFFAOYSA-N -1 3 371.382 2.010 20 50 FEGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNc1cccc([N+](=O)[O-])c1 ZINC000826420194 607712399 /nfs/dbraw/zinc/71/23/99/607712399.db2.gz CBYKBIDIANIAKE-UHFFFAOYSA-N -1 3 371.382 2.010 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2cccs2)on1 ZINC000826448214 607714332 /nfs/dbraw/zinc/71/43/32/607714332.db2.gz MGDAHIHFVGMEAE-UHFFFAOYSA-N -1 3 353.367 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2cccs2)on1 ZINC000826448214 607714334 /nfs/dbraw/zinc/71/43/34/607714334.db2.gz MGDAHIHFVGMEAE-UHFFFAOYSA-N -1 3 353.367 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000826448681 607714653 /nfs/dbraw/zinc/71/46/53/607714653.db2.gz GSPQQNNIZPEBRU-UHFFFAOYSA-N -1 3 372.772 2.048 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)c2c(c1)OCCO2 ZINC000826448681 607714655 /nfs/dbraw/zinc/71/46/55/607714655.db2.gz GSPQQNNIZPEBRU-UHFFFAOYSA-N -1 3 372.772 2.048 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1sccc1Br ZINC000826449368 607723316 /nfs/dbraw/zinc/72/33/16/607723316.db2.gz OZYMGXNKGMBGNX-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1sccc1Br ZINC000826449368 607723317 /nfs/dbraw/zinc/72/33/17/607723317.db2.gz OZYMGXNKGMBGNX-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM CC(C)c1nn(C)c(Cl)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824364963 607723637 /nfs/dbraw/zinc/72/36/37/607723637.db2.gz XFKAJXIXCNTMMB-UHFFFAOYSA-N -1 3 360.809 2.134 20 50 FEGDHM CC(C)c1nn(C)c(Cl)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824364963 607723639 /nfs/dbraw/zinc/72/36/39/607723639.db2.gz XFKAJXIXCNTMMB-UHFFFAOYSA-N -1 3 360.809 2.134 20 50 FEGDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826331997 607726439 /nfs/dbraw/zinc/72/64/39/607726439.db2.gz GRBYJFMBTSGCCI-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1nn(-c2ccccc2)c(C)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826331997 607726440 /nfs/dbraw/zinc/72/64/40/607726440.db2.gz GRBYJFMBTSGCCI-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000826234999 607727976 /nfs/dbraw/zinc/72/79/76/607727976.db2.gz YPPGCNFQIMCUEP-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000826234999 607727977 /nfs/dbraw/zinc/72/79/77/607727977.db2.gz YPPGCNFQIMCUEP-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1nc(C(F)(F)F)ccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826323387 607728345 /nfs/dbraw/zinc/72/83/45/607728345.db2.gz CBVZILCUDIWRAR-UHFFFAOYSA-N -1 3 363.303 2.346 20 50 FEGDHM Cc1nc(C(F)(F)F)ccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826323387 607728346 /nfs/dbraw/zinc/72/83/46/607728346.db2.gz CBVZILCUDIWRAR-UHFFFAOYSA-N -1 3 363.303 2.346 20 50 FEGDHM CC(C)c1ncc(Cl)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824364407 607729572 /nfs/dbraw/zinc/72/95/72/607729572.db2.gz FJXMGZVVLFEURZ-UHFFFAOYSA-N -1 3 358.793 2.190 20 50 FEGDHM CC(C)c1ncc(Cl)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824364407 607729573 /nfs/dbraw/zinc/72/95/73/607729573.db2.gz FJXMGZVVLFEURZ-UHFFFAOYSA-N -1 3 358.793 2.190 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cscn1 ZINC000823280590 606129179 /nfs/dbraw/zinc/12/91/79/606129179.db2.gz CHRYEBFDRMMNRJ-UHFFFAOYSA-N -1 3 355.305 2.099 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cscn1 ZINC000823280590 606129180 /nfs/dbraw/zinc/12/91/80/606129180.db2.gz CHRYEBFDRMMNRJ-UHFFFAOYSA-N -1 3 355.305 2.099 20 50 FEGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000826357880 607824499 /nfs/dbraw/zinc/82/44/99/607824499.db2.gz UYHPSFAPBWFXAB-UHFFFAOYSA-N -1 3 369.282 2.120 20 50 FEGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1cc(C(F)(F)F)ccc1F ZINC000826357880 607824500 /nfs/dbraw/zinc/82/45/00/607824500.db2.gz UYHPSFAPBWFXAB-UHFFFAOYSA-N -1 3 369.282 2.120 20 50 FEGDHM Cc1cc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000826259740 607881915 /nfs/dbraw/zinc/88/19/15/607881915.db2.gz CSMALUKTJURSEV-UHFFFAOYSA-N -1 3 357.377 2.487 20 50 FEGDHM Cc1cc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c2ccccc2n1 ZINC000826259740 607881916 /nfs/dbraw/zinc/88/19/16/607881916.db2.gz CSMALUKTJURSEV-UHFFFAOYSA-N -1 3 357.377 2.487 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1cc(-c2ccccc2)n[nH]1 ZINC000826444588 607882125 /nfs/dbraw/zinc/88/21/25/607882125.db2.gz MKRMVCYLEJIVLN-UHFFFAOYSA-N -1 3 358.365 2.021 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1cc(-c2ccccc2)n[nH]1 ZINC000826444588 607882126 /nfs/dbraw/zinc/88/21/26/607882126.db2.gz MKRMVCYLEJIVLN-UHFFFAOYSA-N -1 3 358.365 2.021 20 50 FEGDHM Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826300322 607882714 /nfs/dbraw/zinc/88/27/14/607882714.db2.gz PPWUVKXNNFMQPU-AWEZNQCLSA-N -1 3 364.409 2.401 20 50 FEGDHM Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826300322 607882715 /nfs/dbraw/zinc/88/27/15/607882715.db2.gz PPWUVKXNNFMQPU-AWEZNQCLSA-N -1 3 364.409 2.401 20 50 FEGDHM COCC(C)(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826147822 607909292 /nfs/dbraw/zinc/90/92/92/607909292.db2.gz MXYVSYRREUQWDA-UHFFFAOYSA-N -1 3 358.324 2.001 20 50 FEGDHM COCC(C)(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826147822 607909293 /nfs/dbraw/zinc/90/92/93/607909293.db2.gz MXYVSYRREUQWDA-UHFFFAOYSA-N -1 3 358.324 2.001 20 50 FEGDHM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000826187456 608094935 /nfs/dbraw/zinc/09/49/35/608094935.db2.gz QYVSQEULTAEUNM-UHFFFAOYSA-N -1 3 372.410 2.099 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cc(C)ccc32)cc(-c2nnn[n-]2)n1C ZINC000826294539 608331491 /nfs/dbraw/zinc/33/14/91/608331491.db2.gz UQKHFMKEIODCLD-CXUHLZMHSA-N -1 3 373.420 2.318 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N2CCc3cc(C)ccc32)cc(-c2nn[n-]n2)n1C ZINC000826294539 608331493 /nfs/dbraw/zinc/33/14/93/608331493.db2.gz UQKHFMKEIODCLD-CXUHLZMHSA-N -1 3 373.420 2.318 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000826446796 609254362 /nfs/dbraw/zinc/25/43/62/609254362.db2.gz YSBIBKMSHBJAIG-UHFFFAOYSA-N -1 3 364.287 2.348 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000826446796 609254363 /nfs/dbraw/zinc/25/43/63/609254363.db2.gz YSBIBKMSHBJAIG-UHFFFAOYSA-N -1 3 364.287 2.348 20 50 FEGDHM CC[C@H](C)Oc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825074356 609259314 /nfs/dbraw/zinc/25/93/14/609259314.db2.gz GWKKRMFXZPPIAS-NSHDSACASA-N -1 3 353.386 2.196 20 50 FEGDHM CC[C@H](C)Oc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825074356 609259315 /nfs/dbraw/zinc/25/93/15/609259315.db2.gz GWKKRMFXZPPIAS-NSHDSACASA-N -1 3 353.386 2.196 20 50 FEGDHM O=C(NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C(F)F ZINC000826444653 609451063 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O=C(NNc1ccccc1Br)c1sccc1-c1nn[n-]n1 ZINC000826449382 607340159 /nfs/dbraw/zinc/34/01/59/607340159.db2.gz PGTVAQBSBSIMIB-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)nc(Cl)c1 ZINC000826446964 607342420 /nfs/dbraw/zinc/34/24/20/607342420.db2.gz HHPQVCKYYRYSSG-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM CC(C)(C)n1ccnc1SCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824152873 607350914 /nfs/dbraw/zinc/35/09/14/607350914.db2.gz RELDUADAQRLPCZ-UHFFFAOYSA-N -1 3 372.458 2.054 20 50 FEGDHM O=C(NNc1ccc(Cl)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826447520 607465640 /nfs/dbraw/zinc/46/56/40/607465640.db2.gz JRABZKGACUXKOD-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM O=C(NNc1ccc(Cl)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826447520 607465642 /nfs/dbraw/zinc/46/56/42/607465642.db2.gz JRABZKGACUXKOD-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1ccc(Cl)cc1Cl ZINC000826358220 607712343 /nfs/dbraw/zinc/71/23/43/607712343.db2.gz KSJOPSHVEUIILW-UHFFFAOYSA-N -1 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O=C(NN=C(Cc1ccccc1)C(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826444721 608752427 /nfs/dbraw/zinc/75/24/27/608752427.db2.gz RIBYEPWPGGMPQG-UHFFFAOYSA-N -1 3 356.336 2.460 20 50 FEGDHM O=C(NN=C(Cc1ccccc1)C(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826444721 608752429 /nfs/dbraw/zinc/75/24/29/608752429.db2.gz RIBYEPWPGGMPQG-UHFFFAOYSA-N -1 3 356.336 2.460 20 50 FEGDHM CC(=NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823947979 609156472 /nfs/dbraw/zinc/15/64/72/609156472.db2.gz AAQDQOWYGJXJKQ-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM CC(=NNC(=O)COc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823947979 609156474 /nfs/dbraw/zinc/15/64/74/609156474.db2.gz AAQDQOWYGJXJKQ-UHFFFAOYSA-N -1 3 372.335 2.064 20 50 FEGDHM CC(=NNC(=O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948555 609158918 /nfs/dbraw/zinc/15/89/18/609158918.db2.gz RSQYZLHHQBQNLM-UHFFFAOYSA-N -1 3 356.336 2.228 20 50 FEGDHM CC(=NNC(=O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948555 609158920 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Cc1nc(-c2ccccc2)ncc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826323268 607352860 /nfs/dbraw/zinc/35/28/60/607352860.db2.gz XPZUPNBUEUFPTA-UHFFFAOYSA-N -1 3 372.392 2.389 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826446587 607353507 /nfs/dbraw/zinc/35/35/07/607353507.db2.gz QXEQGSHCAPSKKO-OCCSQVGLSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccco2)s1 ZINC000826449121 607718348 /nfs/dbraw/zinc/71/83/48/607718348.db2.gz CHXWLJVKVURETH-UHFFFAOYSA-N -1 3 353.367 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccco2)s1 ZINC000826449121 607718350 /nfs/dbraw/zinc/71/83/50/607718350.db2.gz CHXWLJVKVURETH-UHFFFAOYSA-N -1 3 353.367 2.340 20 50 FEGDHM CSc1ccc([N+](=O)[O-])c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826231126 607725685 /nfs/dbraw/zinc/72/56/85/607725685.db2.gz YEGPTGGUYYXCSN-UHFFFAOYSA-N -1 3 371.382 2.254 20 50 FEGDHM CSc1ccc([N+](=O)[O-])c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826231126 607725686 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FEGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1cc(-c2cccs2)n[nH]1 ZINC000826444896 607889801 /nfs/dbraw/zinc/88/98/01/607889801.db2.gz YQVKISLQJAFIIH-UHFFFAOYSA-N -1 3 364.394 2.082 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444495 607894268 /nfs/dbraw/zinc/89/42/68/607894268.db2.gz JKCAZLVVJVUFGG-DVOMOZLQSA-N -1 3 368.441 2.234 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444495 607894269 /nfs/dbraw/zinc/89/42/69/607894269.db2.gz JKCAZLVVJVUFGG-DVOMOZLQSA-N -1 3 368.441 2.234 20 50 FEGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379613 608213649 /nfs/dbraw/zinc/21/36/49/608213649.db2.gz WZBYVUKIZCSQHB-GXDHUFHOSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2c1OCCO2 ZINC000826379613 608213650 /nfs/dbraw/zinc/21/36/50/608213650.db2.gz WZBYVUKIZCSQHB-GXDHUFHOSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2n1CCCCC2 ZINC000826379544 608875427 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C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC=C(C#N)CC1 ZINC000824046493 609474448 /nfs/dbraw/zinc/47/44/48/609474448.db2.gz SOKUPPQHAGHGMV-SNVBAGLBSA-N -1 3 357.805 2.003 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc(O)cc2C)cc(-c2nn[n-]n2)n1C ZINC000826271659 607338860 /nfs/dbraw/zinc/33/88/60/607338860.db2.gz BBMFSYIYNNXFFQ-NTUHNPAUSA-N -1 3 363.381 2.073 20 50 FEGDHM CCOc1ccccc1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825653810 607340381 /nfs/dbraw/zinc/34/03/81/607340381.db2.gz KIKXXZNLYOGQCO-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000826446324 607341045 /nfs/dbraw/zinc/34/10/45/607341045.db2.gz HSBCNQHPWHUNSF-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1SCCc2ccccc21 ZINC000826448253 607718337 /nfs/dbraw/zinc/71/83/37/607718337.db2.gz OADLYGOZPSEZQI-OAHLLOKOSA-N -1 3 352.423 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1SCCc2ccccc21 ZINC000826448253 607718339 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O=C(NNc1ccnc2cc(Cl)ccc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823280567 606250464 /nfs/dbraw/zinc/25/04/64/606250464.db2.gz BLLLUELDBZEKBM-UHFFFAOYSA-N -1 3 354.761 2.153 20 50 FEGDHM Cc1nn(C)c(Cl)c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826333866 608215229 /nfs/dbraw/zinc/21/52/29/608215229.db2.gz XXRKIHXXSOIBKQ-GHXNOFRVSA-N -1 3 353.773 2.352 20 50 FEGDHM Cc1nn(C)c(Cl)c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826333866 608215231 /nfs/dbraw/zinc/21/52/31/608215231.db2.gz XXRKIHXXSOIBKQ-GHXNOFRVSA-N -1 3 353.773 2.352 20 50 FEGDHM N#CC(=Cc1ccc(-n2cncn2)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379139 608215256 /nfs/dbraw/zinc/21/52/56/608215256.db2.gz JZZKJIGZIXTVGZ-LZYBPNLTSA-N -1 3 368.360 2.237 20 50 FEGDHM N#CC(=Cc1ccc(-n2cncn2)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379139 608215258 /nfs/dbraw/zinc/21/52/58/608215258.db2.gz JZZKJIGZIXTVGZ-LZYBPNLTSA-N -1 3 368.360 2.237 20 50 FEGDHM COc1cc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000826177572 608228729 /nfs/dbraw/zinc/22/87/29/608228729.db2.gz NIDAQRFFLAHBTC-UHFFFAOYSA-N -1 3 354.345 2.168 20 50 FEGDHM COc1cc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000826177572 608228732 /nfs/dbraw/zinc/22/87/32/608228732.db2.gz NIDAQRFFLAHBTC-UHFFFAOYSA-N -1 3 354.345 2.168 20 50 FEGDHM CCc1cnccc1[C@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825735744 608358286 /nfs/dbraw/zinc/35/82/86/608358286.db2.gz UIHSPAADUDYPOX-NSHDSACASA-N -1 3 352.402 2.211 20 50 FEGDHM CCc1cnccc1[C@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825735744 608358288 /nfs/dbraw/zinc/35/82/88/608358288.db2.gz UIHSPAADUDYPOX-NSHDSACASA-N -1 3 352.402 2.211 20 50 FEGDHM Cc1c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826241480 608804531 /nfs/dbraw/zinc/80/45/31/608804531.db2.gz FKLNNCCUFMEWPY-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM Cc1c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826241480 608804533 /nfs/dbraw/zinc/80/45/33/608804533.db2.gz FKLNNCCUFMEWPY-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM Cc1nc2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2o1 ZINC000826329122 608805703 /nfs/dbraw/zinc/80/57/03/608805703.db2.gz QPFPCEINIFUKKL-UHFFFAOYSA-N -1 3 350.342 2.465 20 50 FEGDHM Cc1nc2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2o1 ZINC000826329122 608805704 /nfs/dbraw/zinc/80/57/04/608805704.db2.gz QPFPCEINIFUKKL-UHFFFAOYSA-N -1 3 350.342 2.465 20 50 FEGDHM O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826449533 608812359 /nfs/dbraw/zinc/81/23/59/608812359.db2.gz XSLPQSPKEWPBTE-UHFFFAOYSA-N -1 3 358.293 2.063 20 50 FEGDHM O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826449533 608812362 /nfs/dbraw/zinc/81/23/62/608812362.db2.gz XSLPQSPKEWPBTE-UHFFFAOYSA-N -1 3 358.293 2.063 20 50 FEGDHM CCC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000825029171 609410755 /nfs/dbraw/zinc/41/07/55/609410755.db2.gz OFBSGXKVINVPFX-UHFFFAOYSA-N -1 3 368.372 2.315 20 50 FEGDHM CCC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000825029171 609410758 /nfs/dbraw/zinc/41/07/58/609410758.db2.gz OFBSGXKVINVPFX-UHFFFAOYSA-N -1 3 368.372 2.315 20 50 FEGDHM CC(CCc1n[nH]c2ccccc12)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824412514 609447846 /nfs/dbraw/zinc/44/78/46/609447846.db2.gz ABHROBUXDDMOFJ-UHFFFAOYSA-N -1 3 374.408 2.482 20 50 FEGDHM CC(CCc1n[nH]c2ccccc12)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824412514 609447848 /nfs/dbraw/zinc/44/78/48/609447848.db2.gz ABHROBUXDDMOFJ-UHFFFAOYSA-N -1 3 374.408 2.482 20 50 FEGDHM CSc1ccc(O[C@@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826230812 607341717 /nfs/dbraw/zinc/34/17/17/607341717.db2.gz KNWZFNHKJIAQGG-NSHDSACASA-N -1 3 370.438 2.499 20 50 FEGDHM O=C(CCCc1nc2ccccc2[nH]1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406699 607345886 /nfs/dbraw/zinc/34/58/86/607345886.db2.gz JFALASTUFOHNPW-UHFFFAOYSA-N -1 3 362.397 2.209 20 50 FEGDHM Cc1c(Cl)cccc1NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826236972 607393248 /nfs/dbraw/zinc/39/32/48/607393248.db2.gz JNIXLNMMLZSBLY-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM Cc1c(Cl)cccc1NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826236972 607393250 /nfs/dbraw/zinc/39/32/50/607393250.db2.gz JNIXLNMMLZSBLY-UHFFFAOYSA-N -1 3 358.789 2.351 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNc1cccc2c1CCCC2 ZINC000826419410 607393567 /nfs/dbraw/zinc/39/35/67/607393567.db2.gz WZEJUNHLMCEVOS-UHFFFAOYSA-N -1 3 364.409 2.268 20 50 FEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNc1cccc2c1CCCC2 ZINC000826419410 607393569 /nfs/dbraw/zinc/39/35/69/607393569.db2.gz WZEJUNHLMCEVOS-UHFFFAOYSA-N -1 3 364.409 2.268 20 50 FEGDHM Cc1cc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)n(C(C)(C)C)n1 ZINC000826270090 607672276 /nfs/dbraw/zinc/67/22/76/607672276.db2.gz KVJLJXGTSLGDAG-UHFFFAOYSA-N -1 3 355.406 2.275 20 50 FEGDHM CCCN(CC(C)C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825307696 607694878 /nfs/dbraw/zinc/69/48/78/607694878.db2.gz MEMVGJUWSYVIHJ-NVNXTCNLSA-N -1 3 355.446 2.315 20 50 FEGDHM CCCN(CC(C)C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825307696 607694880 /nfs/dbraw/zinc/69/48/80/607694880.db2.gz MEMVGJUWSYVIHJ-NVNXTCNLSA-N -1 3 355.446 2.315 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1SCCc2ccccc21 ZINC000826448252 607718142 /nfs/dbraw/zinc/71/81/42/607718142.db2.gz OADLYGOZPSEZQI-HNNXBMFYSA-N -1 3 352.423 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1SCCc2ccccc21 ZINC000826448252 607718143 /nfs/dbraw/zinc/71/81/43/607718143.db2.gz OADLYGOZPSEZQI-HNNXBMFYSA-N -1 3 352.423 2.340 20 50 FEGDHM O=C(C[C@H]1CCOc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404936 607721412 /nfs/dbraw/zinc/72/14/12/607721412.db2.gz QKTOJLLFQFJILB-GFCCVEGCSA-N -1 3 350.382 2.266 20 50 FEGDHM O=C(C[C@H]1CCOc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404936 607721414 /nfs/dbraw/zinc/72/14/14/607721414.db2.gz QKTOJLLFQFJILB-GFCCVEGCSA-N -1 3 350.382 2.266 20 50 FEGDHM COc1ccc(SCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826211589 607731345 /nfs/dbraw/zinc/73/13/45/607731345.db2.gz LTMKCJAQOQDPJA-UHFFFAOYSA-N -1 3 356.411 2.111 20 50 FEGDHM COc1ccc(SCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826211589 607731346 /nfs/dbraw/zinc/73/13/46/607731346.db2.gz LTMKCJAQOQDPJA-UHFFFAOYSA-N -1 3 356.411 2.111 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCCS1 ZINC000823281823 606128093 /nfs/dbraw/zinc/12/80/93/606128093.db2.gz YTARDXGBEYABIL-JTQLQIEISA-N -1 3 358.349 2.224 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCCS1 ZINC000823281823 606128094 /nfs/dbraw/zinc/12/80/94/606128094.db2.gz YTARDXGBEYABIL-JTQLQIEISA-N -1 3 358.349 2.224 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823280909 606293647 /nfs/dbraw/zinc/29/36/47/606293647.db2.gz IDGAFURZCULFFE-MNOVXSKESA-N -1 3 352.320 2.375 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1C[C@@H]1C1CC1 ZINC000823280909 606293648 /nfs/dbraw/zinc/29/36/48/606293648.db2.gz IDGAFURZCULFFE-MNOVXSKESA-N -1 3 352.320 2.375 20 50 FEGDHM O=C(NN=C1CCc2c1cc(F)cc2F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444395 607783479 /nfs/dbraw/zinc/78/34/79/607783479.db2.gz DSCFJEQHHFEQNN-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM O=C(NN=C1CCc2c1cc(F)cc2F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444395 607783480 /nfs/dbraw/zinc/78/34/80/607783480.db2.gz DSCFJEQHHFEQNN-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444496 607894370 /nfs/dbraw/zinc/89/43/70/607894370.db2.gz JKCAZLVVJVUFGG-HEHGZKQESA-N -1 3 368.441 2.234 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444496 607894371 /nfs/dbraw/zinc/89/43/71/607894371.db2.gz JKCAZLVVJVUFGG-HEHGZKQESA-N -1 3 368.441 2.234 20 50 FEGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc2c1OCCO2 ZINC000826379677 608213692 /nfs/dbraw/zinc/21/36/92/608213692.db2.gz YNLYAPCYZAQTPG-UXBLZVDNSA-N -1 3 365.374 2.489 20 50 FEGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc2c1OCCO2 ZINC000826379677 608213694 /nfs/dbraw/zinc/21/36/94/608213694.db2.gz YNLYAPCYZAQTPG-UXBLZVDNSA-N -1 3 365.374 2.489 20 50 FEGDHM CCOc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000825615824 608806289 /nfs/dbraw/zinc/80/62/89/608806289.db2.gz MGDUCXVUKBQOAK-UHFFFAOYSA-N -1 3 369.385 2.423 20 50 FEGDHM CCOc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC000825615824 608806291 /nfs/dbraw/zinc/80/62/91/608806291.db2.gz MGDUCXVUKBQOAK-UHFFFAOYSA-N -1 3 369.385 2.423 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)CCCO2 ZINC000826448001 608810190 /nfs/dbraw/zinc/81/01/90/608810190.db2.gz DLBYTIYWJUWDCN-UHFFFAOYSA-N -1 3 351.370 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)CCCO2 ZINC000826448001 608810192 /nfs/dbraw/zinc/81/01/92/608810192.db2.gz DLBYTIYWJUWDCN-UHFFFAOYSA-N -1 3 351.370 2.340 20 50 FEGDHM CCc1c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825693907 608816760 /nfs/dbraw/zinc/81/67/60/608816760.db2.gz HNJXVBUUVGMBDV-UHFFFAOYSA-N -1 3 369.433 2.430 20 50 FEGDHM CCc1c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825693907 608816764 /nfs/dbraw/zinc/81/67/64/608816764.db2.gz HNJXVBUUVGMBDV-UHFFFAOYSA-N -1 3 369.433 2.430 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-c2ccccc2F)on1 ZINC000826446538 607342162 /nfs/dbraw/zinc/34/21/62/607342162.db2.gz PIRFPQCRFRMLPA-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM CCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000825632376 607344408 /nfs/dbraw/zinc/34/44/08/607344408.db2.gz PUQXOBRGPSFXKE-UHFFFAOYSA-N -1 3 354.370 2.031 20 50 FEGDHM Cc1nc(-c2ccccc2)[nH]c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826232907 607349128 /nfs/dbraw/zinc/34/91/28/607349128.db2.gz MPLVZSZAXYWVKI-UHFFFAOYSA-N -1 3 360.381 2.322 20 50 FEGDHM CCCOc1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825341466 607355129 /nfs/dbraw/zinc/35/51/29/607355129.db2.gz FAEHKWWRIYBZQJ-UHFFFAOYSA-N -1 3 368.397 2.178 20 50 FEGDHM O=C(CCC(=O)c1ccc(F)c(F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404445 607356713 /nfs/dbraw/zinc/35/67/13/607356713.db2.gz AWZNRFQCSYPECY-UHFFFAOYSA-N -1 3 372.335 2.251 20 50 FEGDHM O=C(NNc1cc(F)c(F)cc1F)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826446668 607398908 /nfs/dbraw/zinc/39/89/08/607398908.db2.gz UEXYJOUNJLMCSC-UHFFFAOYSA-N -1 3 369.694 2.089 20 50 FEGDHM O=C(NNc1cc(F)c(F)cc1F)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826446668 607398910 /nfs/dbraw/zinc/39/89/10/607398910.db2.gz UEXYJOUNJLMCSC-UHFFFAOYSA-N -1 3 369.694 2.089 20 50 FEGDHM O=C(COc1ccc(F)c(Cl)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418295 607723126 /nfs/dbraw/zinc/72/31/26/607723126.db2.gz ZMTJFECKTRUGBD-UHFFFAOYSA-N -1 3 362.752 2.181 20 50 FEGDHM O=C(COc1ccc(F)c(Cl)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418295 607723128 /nfs/dbraw/zinc/72/31/28/607723128.db2.gz ZMTJFECKTRUGBD-UHFFFAOYSA-N -1 3 362.752 2.181 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1COc2c1cccc2Cl ZINC000823280587 606879663 /nfs/dbraw/zinc/87/96/63/606879663.db2.gz CCNZWYPMEODURB-ZDUSSCGKSA-N -1 3 371.788 2.280 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1COc2c1cccc2Cl ZINC000823280587 606879664 /nfs/dbraw/zinc/87/96/64/606879664.db2.gz CCNZWYPMEODURB-ZDUSSCGKSA-N -1 3 371.788 2.280 20 50 FEGDHM Cc1ccc(OCC(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1C ZINC000826292089 607882035 /nfs/dbraw/zinc/88/20/35/607882035.db2.gz HRSAFJILSIHIFK-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM Cc1ccc(OCC(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1C ZINC000826292089 607882036 /nfs/dbraw/zinc/88/20/36/607882036.db2.gz HRSAFJILSIHIFK-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM Cc1ccc(-c2cc(C(=O)NN=Cc3ccccc3-c3nnn[n-]3)[nH]n2)cc1 ZINC000826272889 607886313 /nfs/dbraw/zinc/88/63/13/607886313.db2.gz GESYUVVHAWDRMP-UHFFFAOYSA-N -1 3 372.392 2.329 20 50 FEGDHM Cc1ccc(-c2cc(C(=O)NN=Cc3ccccc3-c3nn[n-]n3)[nH]n2)cc1 ZINC000826272889 607886314 /nfs/dbraw/zinc/88/63/14/607886314.db2.gz GESYUVVHAWDRMP-UHFFFAOYSA-N -1 3 372.392 2.329 20 50 FEGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NCCc1ccccc1 ZINC000826379046 607915711 /nfs/dbraw/zinc/91/57/11/607915711.db2.gz HWNOQRDKUBIUOI-XNTDXEJSSA-N -1 3 362.368 2.272 20 50 FEGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NCCc1ccccc1 ZINC000826379046 607915712 /nfs/dbraw/zinc/91/57/12/607915712.db2.gz HWNOQRDKUBIUOI-XNTDXEJSSA-N -1 3 362.368 2.272 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000826447084 608075081 /nfs/dbraw/zinc/07/50/81/608075081.db2.gz MBZKMFPFJMSEOP-HNNXBMFYSA-N -1 3 350.382 2.128 20 50 FEGDHM CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948423 608093234 /nfs/dbraw/zinc/09/32/34/608093234.db2.gz LWMYFIRPRUKLJI-JTQLQIEISA-N -1 3 374.401 2.375 20 50 FEGDHM Cc1nn(C)c2ncc(C=C(C#N)C(=O)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000826334220 608213646 /nfs/dbraw/zinc/21/36/46/608213646.db2.gz MERAIKRSABWZAQ-UUASQNMZSA-N -1 3 370.376 2.247 20 50 FEGDHM Cc1nn(C)c2ncc(C=C(C#N)C(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000826334220 608213647 /nfs/dbraw/zinc/21/36/47/608213647.db2.gz MERAIKRSABWZAQ-UUASQNMZSA-N -1 3 370.376 2.247 20 50 FEGDHM CCC(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825034173 608806212 /nfs/dbraw/zinc/80/62/12/608806212.db2.gz FVYTXAVOPBMKLZ-UHFFFAOYSA-N -1 3 366.385 2.364 20 50 FEGDHM CCC(=O)Nc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825034173 608806214 /nfs/dbraw/zinc/80/62/14/608806214.db2.gz FVYTXAVOPBMKLZ-UHFFFAOYSA-N -1 3 366.385 2.364 20 50 FEGDHM CCOc1ccc(C#N)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825631658 608808344 /nfs/dbraw/zinc/80/83/44/608808344.db2.gz FPUSGNXTDHNNDD-UHFFFAOYSA-N -1 3 364.369 2.286 20 50 FEGDHM CCOc1ccc(C#N)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825631658 608808348 /nfs/dbraw/zinc/80/83/48/608808348.db2.gz FPUSGNXTDHNNDD-UHFFFAOYSA-N -1 3 364.369 2.286 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2ncon2)cc1 ZINC000826448129 608810614 /nfs/dbraw/zinc/81/06/14/608810614.db2.gz JIXAKJGNRFZMGX-UHFFFAOYSA-N -1 3 363.341 2.065 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2ncon2)cc1 ZINC000826448129 608810616 /nfs/dbraw/zinc/81/06/16/608810616.db2.gz JIXAKJGNRFZMGX-UHFFFAOYSA-N -1 3 363.341 2.065 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2ccccc2)nn1 ZINC000826448100 608818156 /nfs/dbraw/zinc/81/81/56/608818156.db2.gz IPSGKYHHMJULQB-UHFFFAOYSA-N -1 3 373.380 2.472 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2ccccc2)nn1 ZINC000826448100 608818159 /nfs/dbraw/zinc/81/81/59/608818159.db2.gz IPSGKYHHMJULQB-UHFFFAOYSA-N -1 3 373.380 2.472 20 50 FEGDHM Cc1cc(C(=O)NNc2ccccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260405 609262932 /nfs/dbraw/zinc/26/29/32/609262932.db2.gz MSTZTLRSNQTKIG-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNc1cccc(F)c1 ZINC000826420452 607339374 /nfs/dbraw/zinc/33/93/74/607339374.db2.gz NSKSJCUDQPQECY-UHFFFAOYSA-N -1 3 358.402 2.382 20 50 FEGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNc1cccc(F)c1 ZINC000826420452 607339375 /nfs/dbraw/zinc/33/93/75/607339375.db2.gz NSKSJCUDQPQECY-UHFFFAOYSA-N -1 3 358.402 2.382 20 50 FEGDHM O=C(CCOc1cccc(Cl)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408019 607347016 /nfs/dbraw/zinc/34/70/16/607347016.db2.gz MQNYUZOVAVMZHN-UHFFFAOYSA-N -1 3 358.789 2.432 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826446376 607350511 /nfs/dbraw/zinc/35/05/11/607350511.db2.gz JIYBSJQENKIPMP-UHFFFAOYSA-N -1 3 364.325 2.013 20 50 FEGDHM Cc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826281367 607350645 /nfs/dbraw/zinc/35/06/45/607350645.db2.gz OKRSXVSMOZNRBG-UHFFFAOYSA-N -1 3 350.382 2.281 20 50 FEGDHM CCCN(CC)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825307886 607351328 /nfs/dbraw/zinc/35/13/28/607351328.db2.gz QEOQHFIHVIIQFH-UHFFFAOYSA-N -1 3 366.429 2.255 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccn1Cc1ccccc1 ZINC000826447138 607353562 /nfs/dbraw/zinc/35/35/62/607353562.db2.gz PEPNWRMIUFVIAV-UHFFFAOYSA-N -1 3 359.393 2.473 20 50 FEGDHM Cc1nc(-c2c[nH]c(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000826322366 607355567 /nfs/dbraw/zinc/35/55/67/607355567.db2.gz JRBPVXBQZSKSRX-UHFFFAOYSA-N -1 3 366.410 2.384 20 50 FEGDHM CN(C)[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000825848478 607356285 /nfs/dbraw/zinc/35/62/85/607356285.db2.gz DEKDLOUNSVSIAZ-HNNXBMFYSA-N -1 3 371.832 2.266 20 50 FEGDHM O=C(C[C@@H]1OCCc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404844 607354286 /nfs/dbraw/zinc/35/42/86/607354286.db2.gz MZYPTBDROKFUMU-INIZCTEOSA-N -1 3 350.382 2.014 20 50 FEGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)oc2c1C(=O)CCC2 ZINC000826234667 607356793 /nfs/dbraw/zinc/35/67/93/607356793.db2.gz IGGIHJOLQWVGKX-UHFFFAOYSA-N -1 3 352.354 2.044 20 50 FEGDHM CC[C@@H](SC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825158963 607634859 /nfs/dbraw/zinc/63/48/59/607634859.db2.gz FSXZBHLYWHHSPU-SNVBAGLBSA-N -1 3 360.365 2.470 20 50 FEGDHM CC[C@@H](SC)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825158963 607634861 /nfs/dbraw/zinc/63/48/61/607634861.db2.gz FSXZBHLYWHHSPU-SNVBAGLBSA-N -1 3 360.365 2.470 20 50 FEGDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NNc1ccc(C#N)cc1 ZINC000824147284 607671566 /nfs/dbraw/zinc/67/15/66/607671566.db2.gz BJYIYPWMPOAZDZ-UHFFFAOYSA-N -1 3 365.401 2.443 20 50 FEGDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NNc1ccc(C#N)cc1 ZINC000824147284 607671568 /nfs/dbraw/zinc/67/15/68/607671568.db2.gz BJYIYPWMPOAZDZ-UHFFFAOYSA-N -1 3 365.401 2.443 20 50 FEGDHM Cc1cccc(-c2n[nH]cc2C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826295372 607888772 /nfs/dbraw/zinc/88/87/72/607888772.db2.gz DWOFCBVQEIBAEE-UHFFFAOYSA-N -1 3 372.392 2.329 20 50 FEGDHM Cc1cccc(-c2n[nH]cc2C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826295372 607888773 /nfs/dbraw/zinc/88/87/73/607888773.db2.gz DWOFCBVQEIBAEE-UHFFFAOYSA-N -1 3 372.392 2.329 20 50 FEGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NCCc1ccccc1 ZINC000826379045 607915848 /nfs/dbraw/zinc/91/58/48/607915848.db2.gz HWNOQRDKUBIUOI-GDNBJRDFSA-N -1 3 362.368 2.272 20 50 FEGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NCCc1ccccc1 ZINC000826379045 607915849 /nfs/dbraw/zinc/91/58/49/607915849.db2.gz HWNOQRDKUBIUOI-GDNBJRDFSA-N -1 3 362.368 2.272 20 50 FEGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826445392 608490730 /nfs/dbraw/zinc/49/07/30/608490730.db2.gz SBLZANYFBWKVRJ-UHFFFAOYSA-N -1 3 356.148 2.398 20 50 FEGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826445392 608490732 /nfs/dbraw/zinc/49/07/32/608490732.db2.gz SBLZANYFBWKVRJ-UHFFFAOYSA-N -1 3 356.148 2.398 20 50 FEGDHM C#CCOc1cc(F)ccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823856140 608812835 /nfs/dbraw/zinc/81/28/35/608812835.db2.gz KMWKQZTUPJJUNS-UHFFFAOYSA-N -1 3 367.344 2.166 20 50 FEGDHM C#CCOc1cc(F)ccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823856140 608812836 /nfs/dbraw/zinc/81/28/36/608812836.db2.gz KMWKQZTUPJJUNS-UHFFFAOYSA-N -1 3 367.344 2.166 20 50 FEGDHM CC(=NNC(=O)Cc1ccccc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948405 609160251 /nfs/dbraw/zinc/16/02/51/609160251.db2.gz LADXLJXTJDZTQC-UHFFFAOYSA-N -1 3 352.373 2.397 20 50 FEGDHM CC(=NNC(=O)Cc1ccccc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948405 609160253 /nfs/dbraw/zinc/16/02/53/609160253.db2.gz LADXLJXTJDZTQC-UHFFFAOYSA-N -1 3 352.373 2.397 20 50 FEGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNc1ccccc1Br ZINC000826423582 607339345 /nfs/dbraw/zinc/33/93/45/607339345.db2.gz WHWBOHUGTDGLOR-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1ccccc1Br ZINC000826423582 607339347 /nfs/dbraw/zinc/33/93/47/607339347.db2.gz WHWBOHUGTDGLOR-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNc1ccccc1Br ZINC000826421927 607339666 /nfs/dbraw/zinc/33/96/66/607339666.db2.gz GAACEWIHEZFVJH-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNc1ccccc1Br ZINC000826421927 607339668 /nfs/dbraw/zinc/33/96/68/607339668.db2.gz GAACEWIHEZFVJH-UHFFFAOYSA-N -1 3 373.214 2.315 20 50 FEGDHM COc1ccccc1C(C)(C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826218464 607340354 /nfs/dbraw/zinc/34/03/54/607340354.db2.gz COOCUDYWHQHCJA-UHFFFAOYSA-N -1 3 352.398 2.296 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000826446225 607351883 /nfs/dbraw/zinc/35/18/83/607351883.db2.gz DOPDQIJPYJFPAT-UHFFFAOYSA-N -1 3 365.328 2.017 20 50 FEGDHM O=C(Cc1csc(-c2ccoc2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424111 607351925 /nfs/dbraw/zinc/35/19/25/607351925.db2.gz WFGYDZKJWRUINO-UHFFFAOYSA-N -1 3 367.394 2.269 20 50 FEGDHM N#CC1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000826380393 607394870 /nfs/dbraw/zinc/39/48/70/607394870.db2.gz YYDWHMNXFNCEOH-UHFFFAOYSA-N -1 3 365.319 2.413 20 50 FEGDHM N#CC1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000826380393 607394872 /nfs/dbraw/zinc/39/48/72/607394872.db2.gz YYDWHMNXFNCEOH-UHFFFAOYSA-N -1 3 365.319 2.413 20 50 FEGDHM Cc1cscc1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826320801 607414730 /nfs/dbraw/zinc/41/47/30/607414730.db2.gz FHFWEWYBUXZZJD-QCDXTXTGSA-N -1 3 353.411 2.429 20 50 FEGDHM Cc1cscc1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826320801 607414732 /nfs/dbraw/zinc/41/47/32/607414732.db2.gz FHFWEWYBUXZZJD-QCDXTXTGSA-N -1 3 353.411 2.429 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1N1CCCC1 ZINC000826446415 607672377 /nfs/dbraw/zinc/67/23/77/607672377.db2.gz KKCHAAGQLQYNLH-UHFFFAOYSA-N -1 3 365.401 2.011 20 50 FEGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccccn1 ZINC000826259787 607718980 /nfs/dbraw/zinc/71/89/80/607718980.db2.gz GHBUXXZLKMCPBD-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccccn1 ZINC000826259787 607718981 /nfs/dbraw/zinc/71/89/81/607718981.db2.gz GHBUXXZLKMCPBD-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(C)cc1 ZINC000826281111 607722423 /nfs/dbraw/zinc/72/24/23/607722423.db2.gz FLIWTJCOMNKRPF-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(C)cc1 ZINC000826281111 607722425 /nfs/dbraw/zinc/72/24/25/607722425.db2.gz FLIWTJCOMNKRPF-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(OCC2CC2)cc1 ZINC000826448671 607725594 /nfs/dbraw/zinc/72/55/94/607725594.db2.gz FYGGAEJWXJIHSU-UHFFFAOYSA-N -1 3 350.382 2.412 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(OCC2CC2)cc1 ZINC000826448671 607725595 /nfs/dbraw/zinc/72/55/95/607725595.db2.gz FYGGAEJWXJIHSU-UHFFFAOYSA-N -1 3 350.382 2.412 20 50 FEGDHM Cc1nn(CC(C)C)c(C)c1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826334207 607729875 /nfs/dbraw/zinc/72/98/75/607729875.db2.gz LMGVVSVKEZQYJE-UHFFFAOYSA-N -1 3 368.445 2.022 20 50 FEGDHM Cc1nn(CC(C)C)c(C)c1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826334207 607729878 /nfs/dbraw/zinc/72/98/78/607729878.db2.gz LMGVVSVKEZQYJE-UHFFFAOYSA-N -1 3 368.445 2.022 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)NCC2(C3CC3)CCC2)cc(-c2nnn[n-]2)n1C ZINC000826235987 607763116 /nfs/dbraw/zinc/76/31/16/607763116.db2.gz WFASEJBBHXBTIZ-ZSOIEALJSA-N -1 3 365.441 2.117 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)NCC2(C3CC3)CCC2)cc(-c2nn[n-]n2)n1C ZINC000826235987 607763117 /nfs/dbraw/zinc/76/31/17/607763117.db2.gz WFASEJBBHXBTIZ-ZSOIEALJSA-N -1 3 365.441 2.117 20 50 FEGDHM O=C(NNc1ccc(-c2ccccc2)nn1)c1sccc1-c1nnn[n-]1 ZINC000823280812 606643282 /nfs/dbraw/zinc/64/32/82/606643282.db2.gz GMLGJMJVTIWARM-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(NNc1ccc(-c2ccccc2)nn1)c1sccc1-c1nn[n-]n1 ZINC000823280812 606643283 /nfs/dbraw/zinc/64/32/83/606643283.db2.gz GMLGJMJVTIWARM-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826417839 607883090 /nfs/dbraw/zinc/88/30/90/607883090.db2.gz IKBBCSULYAWECV-UHFFFAOYSA-N -1 3 356.773 2.049 20 50 FEGDHM O=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826417839 607883091 /nfs/dbraw/zinc/88/30/91/607883091.db2.gz IKBBCSULYAWECV-UHFFFAOYSA-N -1 3 356.773 2.049 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444889 607889847 /nfs/dbraw/zinc/88/98/47/607889847.db2.gz YNIPUGQXJZFTQL-APHBMKBZSA-N -1 3 368.441 2.234 20 50 FEGDHM O=C(NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444889 607889848 /nfs/dbraw/zinc/88/98/48/607889848.db2.gz YNIPUGQXJZFTQL-APHBMKBZSA-N -1 3 368.441 2.234 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)c2ccncc2)cc(-c2nnn[n-]2)n1C ZINC000826235223 607959548 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O=C(C[C@H](O)c1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404334 608277413 /nfs/dbraw/zinc/27/74/13/608277413.db2.gz WOVZXQRJESMQAC-AWEZNQCLSA-N -1 3 358.789 2.087 20 50 FEGDHM COc1ccc([C@H](C)C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826188315 608534112 /nfs/dbraw/zinc/53/41/12/608534112.db2.gz TXHNXILKGAICMH-GFCCVEGCSA-N -1 3 350.382 2.395 20 50 FEGDHM COc1ccc([C@H](C)C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826188315 608534114 /nfs/dbraw/zinc/53/41/14/608534114.db2.gz TXHNXILKGAICMH-GFCCVEGCSA-N -1 3 350.382 2.395 20 50 FEGDHM CC(C)C[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824235140 609282361 /nfs/dbraw/zinc/28/23/61/609282361.db2.gz CMDSJBZRJWRVPU-ZFWWWQNUSA-N -1 3 359.434 2.087 20 50 FEGDHM CC(C)C[C@H]1C[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824235140 609282363 /nfs/dbraw/zinc/28/23/63/609282363.db2.gz CMDSJBZRJWRVPU-ZFWWWQNUSA-N -1 3 359.434 2.087 20 50 FEGDHM C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)C1 ZINC000824866182 609545094 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FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000826446586 607353146 /nfs/dbraw/zinc/35/31/46/607353146.db2.gz QXEQGSHCAPSKKO-JSGCOSHPSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000826447019 607353268 /nfs/dbraw/zinc/35/32/68/607353268.db2.gz KAZFVKXVNKIEGZ-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM CCOc1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825639483 607356294 /nfs/dbraw/zinc/35/62/94/607356294.db2.gz XKTAOHIBGAVUKE-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM Cc1c(Cl)cccc1NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826237120 607392952 /nfs/dbraw/zinc/39/29/52/607392952.db2.gz OOEGPBKTIPIDDJ-UHFFFAOYSA-N -1 3 357.805 2.384 20 50 FEGDHM CC(C)Oc1cccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824333260 607712930 /nfs/dbraw/zinc/71/29/30/607712930.db2.gz HERMVYPPFYWYSA-UHFFFAOYSA-N -1 3 352.398 2.340 20 50 FEGDHM CC(C)Oc1cccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824333260 607712932 /nfs/dbraw/zinc/71/29/32/607712932.db2.gz HERMVYPPFYWYSA-UHFFFAOYSA-N -1 3 352.398 2.340 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1sccc1OC(F)F ZINC000826449448 607714553 /nfs/dbraw/zinc/71/45/53/607714553.db2.gz TURRPJHXJWSREX-UHFFFAOYSA-N -1 3 352.326 2.287 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1sccc1OC(F)F ZINC000826449448 607714555 /nfs/dbraw/zinc/71/45/55/607714555.db2.gz TURRPJHXJWSREX-UHFFFAOYSA-N -1 3 352.326 2.287 20 50 FEGDHM O=C(CCCOc1ccc(F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405956 607728362 /nfs/dbraw/zinc/72/83/62/607728362.db2.gz ASMLFRBBAHQSLP-UHFFFAOYSA-N -1 3 356.361 2.308 20 50 FEGDHM O=C(CCCOc1ccc(F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405956 607728364 /nfs/dbraw/zinc/72/83/64/607728364.db2.gz ASMLFRBBAHQSLP-UHFFFAOYSA-N -1 3 356.361 2.308 20 50 FEGDHM CC(C)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824341795 607802750 /nfs/dbraw/zinc/80/27/50/607802750.db2.gz CRHXQVKJDKETEB-MQMHXKEQSA-N -1 3 356.430 2.090 20 50 FEGDHM CC(C)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824341795 607802751 /nfs/dbraw/zinc/80/27/51/607802751.db2.gz CRHXQVKJDKETEB-MQMHXKEQSA-N -1 3 356.430 2.090 20 50 FEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C[C@@H]1CCc2ccccc21 ZINC000826417169 607882958 /nfs/dbraw/zinc/88/29/58/607882958.db2.gz GQQBKMSBUWJHEB-HNNXBMFYSA-N -1 3 362.393 2.078 20 50 FEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C[C@H]1CCc2ccccc21 ZINC000826417170 607883115 /nfs/dbraw/zinc/88/31/15/607883115.db2.gz GQQBKMSBUWJHEB-OAHLLOKOSA-N -1 3 362.393 2.078 20 50 FEGDHM O=C(NCCC1Cc2ccccc2C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826436433 607928300 /nfs/dbraw/zinc/92/83/00/607928300.db2.gz SNWBSCNQJYUZHI-UHFFFAOYSA-N -1 3 363.425 2.298 20 50 FEGDHM O=C(NCCC1Cc2ccccc2C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826436433 607928301 /nfs/dbraw/zinc/92/83/01/607928301.db2.gz SNWBSCNQJYUZHI-UHFFFAOYSA-N -1 3 363.425 2.298 20 50 FEGDHM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000826187588 608092034 /nfs/dbraw/zinc/09/20/34/608092034.db2.gz XJPPTTIQKJQWPE-UHFFFAOYSA-N -1 3 372.410 2.099 20 50 FEGDHM CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823948216 608094025 /nfs/dbraw/zinc/09/40/25/608094025.db2.gz HRSFHGVWIAHDGH-UHFFFAOYSA-N -1 3 369.454 2.497 20 50 FEGDHM CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948211 609157197 /nfs/dbraw/zinc/15/71/97/609157197.db2.gz HLFODFVCGAAUCY-UHFFFAOYSA-N -1 3 367.388 2.267 20 50 FEGDHM CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948211 609157198 /nfs/dbraw/zinc/15/71/98/609157198.db2.gz HLFODFVCGAAUCY-UHFFFAOYSA-N -1 3 367.388 2.267 20 50 FEGDHM O=C(NN=C(c1ccccc1)c1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826444759 609423345 /nfs/dbraw/zinc/42/33/45/609423345.db2.gz SQQXFUIFIJZYIR-UHFFFAOYSA-N -1 3 357.377 2.377 20 50 FEGDHM O=C(NN=C(c1ccccc1)c1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826444759 609423348 /nfs/dbraw/zinc/42/33/48/609423348.db2.gz SQQXFUIFIJZYIR-UHFFFAOYSA-N -1 3 357.377 2.377 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000826448925 607334764 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C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1 ZINC000824384644 607717069 /nfs/dbraw/zinc/71/70/69/607717069.db2.gz FRIZHFYVTGQOQL-GFCCVEGCSA-N -1 3 350.382 2.219 20 50 FEGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1 ZINC000824384644 607717071 /nfs/dbraw/zinc/71/70/71/607717071.db2.gz FRIZHFYVTGQOQL-GFCCVEGCSA-N -1 3 350.382 2.219 20 50 FEGDHM Cc1cc(C)n(-c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826264859 607718935 /nfs/dbraw/zinc/71/89/35/607718935.db2.gz CPOITIAVSDUQMY-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1cc(C)n(-c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826264859 607718937 /nfs/dbraw/zinc/71/89/37/607718937.db2.gz CPOITIAVSDUQMY-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM O=C(CSc1nc2ccccc2o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421601 607722910 /nfs/dbraw/zinc/72/29/10/607722910.db2.gz PSZYBKPNLCNZFH-UHFFFAOYSA-N -1 3 367.394 2.243 20 50 FEGDHM O=C(CSc1nc2ccccc2o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421601 607722912 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O=C(NN=c1nc[nH]c2ccsc21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823285554 607011686 /nfs/dbraw/zinc/01/16/86/607011686.db2.gz WOADNUDQNNHCLQ-UHFFFAOYSA-N -1 3 353.371 2.020 20 50 FEGDHM COc1ccc(CCNC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826192539 607884141 /nfs/dbraw/zinc/88/41/41/607884141.db2.gz RCPWRHQMIMQRPN-FOWTUZBSSA-N -1 3 374.404 2.141 20 50 FEGDHM COc1ccc(CCNC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826192539 607884142 /nfs/dbraw/zinc/88/41/42/607884142.db2.gz RCPWRHQMIMQRPN-FOWTUZBSSA-N -1 3 374.404 2.141 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)C2CCCC2)cc(-c2nnn[n-]2)n1C ZINC000826235664 608200105 /nfs/dbraw/zinc/20/01/05/608200105.db2.gz OOFILOKSNGPDHP-UXYFDLPDSA-N -1 3 353.430 2.116 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)C2CCCC2)cc(-c2nn[n-]n2)n1C ZINC000826235664 608200107 /nfs/dbraw/zinc/20/01/07/608200107.db2.gz OOFILOKSNGPDHP-UXYFDLPDSA-N -1 3 353.430 2.116 20 50 FEGDHM COc1c(F)cc(F)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826166987 608816584 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1SCCc2ccccc21 ZINC000826446223 607343605 /nfs/dbraw/zinc/34/36/05/607343605.db2.gz DNDBQFZWQNGUNI-OAHLLOKOSA-N -1 3 352.423 2.340 20 50 FEGDHM Cn1cc(-c2cccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000826356234 607344497 /nfs/dbraw/zinc/34/44/97/607344497.db2.gz HTBFKKIKOQETFS-UHFFFAOYSA-N -1 3 360.381 2.024 20 50 FEGDHM O=C(CCCOc1cccc(F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406386 607344715 /nfs/dbraw/zinc/34/47/15/607344715.db2.gz UUINXVIPGZEXOF-UHFFFAOYSA-N -1 3 356.361 2.308 20 50 FEGDHM CC(C)COc1ncccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824272426 607345118 /nfs/dbraw/zinc/34/51/18/607345118.db2.gz XPTXJPWDDZKNLV-UHFFFAOYSA-N -1 3 353.386 2.053 20 50 FEGDHM O=C(C[C@H]1CCOc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404587 607345940 /nfs/dbraw/zinc/34/59/40/607345940.db2.gz FXENVZCJTRKNGP-CYBMUJFWSA-N -1 3 350.382 2.266 20 50 FEGDHM CCO[C@@H](C)c1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825576606 607350363 /nfs/dbraw/zinc/35/03/63/607350363.db2.gz 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607713416 /nfs/dbraw/zinc/71/34/16/607713416.db2.gz YPHSKEKPYYRUGA-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM CCOc1ccccc1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825654359 607713418 /nfs/dbraw/zinc/71/34/18/607713418.db2.gz YPHSKEKPYYRUGA-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccccc2F)on1 ZINC000826447929 607715637 /nfs/dbraw/zinc/71/56/37/607715637.db2.gz BHBMPKLNTHOMRL-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccccc2F)on1 ZINC000826447929 607715638 /nfs/dbraw/zinc/71/56/38/607715638.db2.gz BHBMPKLNTHOMRL-UHFFFAOYSA-N -1 3 365.328 2.418 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000826448278 607719934 /nfs/dbraw/zinc/71/99/34/607719934.db2.gz OXILBGCOMKQKGD-UHFFFAOYSA-N -1 3 364.344 2.153 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000826448278 607719937 /nfs/dbraw/zinc/71/99/37/607719937.db2.gz OXILBGCOMKQKGD-UHFFFAOYSA-N -1 3 364.344 2.153 20 50 FEGDHM O=C(CCCc1nc2ccccc2[nH]1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407023 607720939 /nfs/dbraw/zinc/72/09/39/607720939.db2.gz XKDCMCNHRPJWRT-UHFFFAOYSA-N -1 3 362.397 2.209 20 50 FEGDHM O=C(CCCc1nc2ccccc2[nH]1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407023 607720940 /nfs/dbraw/zinc/72/09/40/607720940.db2.gz XKDCMCNHRPJWRT-UHFFFAOYSA-N -1 3 362.397 2.209 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826447909 607730625 /nfs/dbraw/zinc/73/06/25/607730625.db2.gz ATGAGLLVGXVZSL-OCCSQVGLSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826447909 607730627 /nfs/dbraw/zinc/73/06/27/607730627.db2.gz ATGAGLLVGXVZSL-OCCSQVGLSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccnc(F)c1 ZINC000823280726 606127223 /nfs/dbraw/zinc/12/72/23/606127223.db2.gz FOFCGKZXXFLLEC-UHFFFAOYSA-N -1 3 367.266 2.177 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccnc(F)c1 ZINC000823280726 606127224 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354.414 2.340 20 50 FEGDHM COc1ccc([C@@H](C)C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826187645 608534421 /nfs/dbraw/zinc/53/44/21/608534421.db2.gz AJTQNBFPZMZSEV-LBPRGKRZSA-N -1 3 350.382 2.395 20 50 FEGDHM COc1ccc([C@@H](C)C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826187645 608534422 /nfs/dbraw/zinc/53/44/22/608534422.db2.gz AJTQNBFPZMZSEV-LBPRGKRZSA-N -1 3 350.382 2.395 20 50 FEGDHM Cc1c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000826241962 608817731 /nfs/dbraw/zinc/81/77/31/608817731.db2.gz VHHKKVGDXNVKFF-UHFFFAOYSA-N -1 3 355.406 2.176 20 50 FEGDHM Cc1c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000826241962 608817733 /nfs/dbraw/zinc/81/77/33/608817733.db2.gz VHHKKVGDXNVKFF-UHFFFAOYSA-N -1 3 355.406 2.176 20 50 FEGDHM COc1cccc(NNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826217074 609151441 /nfs/dbraw/zinc/15/14/41/609151441.db2.gz YBCXTGYMXYLXNK-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM COc1cccc(NNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826217074 609151443 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Cc1cnn(-c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000826319416 607721105 /nfs/dbraw/zinc/72/11/05/607721105.db2.gz BQYKBZFOUICBGG-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccnc1N1CCCCC1 ZINC000826448578 607728686 /nfs/dbraw/zinc/72/86/86/607728686.db2.gz AYSKLQHHHLKLCF-UHFFFAOYSA-N -1 3 364.413 2.009 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccnc1N1CCCCC1 ZINC000826448578 607728688 /nfs/dbraw/zinc/72/86/88/607728688.db2.gz AYSKLQHHHLKLCF-UHFFFAOYSA-N -1 3 364.413 2.009 20 50 FEGDHM CC(=NNC(=O)c1c(C)nc2ccccn21)c1ccc(-c2nnn[n-]2)s1 ZINC000823948765 608091626 /nfs/dbraw/zinc/09/16/26/608091626.db2.gz XDFWYYCYNYZMRV-UHFFFAOYSA-N -1 3 366.410 2.038 20 50 FEGDHM Cc1cc(C(=O)NNc2ccc(C)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826291878 609143911 /nfs/dbraw/zinc/14/39/11/609143911.db2.gz ZMUGCEOTLRQDLW-UHFFFAOYSA-N -1 3 374.408 2.426 20 50 FEGDHM Cc1cc(C(=O)NNc2ccc(C)cc2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826291878 609143913 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CC(C)(C)c1ccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824135220 609263286 /nfs/dbraw/zinc/26/32/86/609263286.db2.gz CCYSDAYWXSKXJU-UHFFFAOYSA-N -1 3 366.429 2.114 20 50 FEGDHM CC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948463 609275428 /nfs/dbraw/zinc/27/54/28/609275428.db2.gz NZLYYOPGZNSHGK-UHFFFAOYSA-N -1 3 356.336 2.228 20 50 FEGDHM CC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948463 609275429 /nfs/dbraw/zinc/27/54/29/609275429.db2.gz NZLYYOPGZNSHGK-UHFFFAOYSA-N -1 3 356.336 2.228 20 50 FEGDHM Cn1cc(C=NNC(=O)CC(C)(C)C)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359770 609306630 /nfs/dbraw/zinc/30/66/30/609306630.db2.gz PVVQOBJFDYOAJL-UHFFFAOYSA-N -1 3 366.429 2.154 20 50 FEGDHM Cn1cc(C=NNC(=O)CC(C)(C)C)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359770 609306632 /nfs/dbraw/zinc/30/66/32/609306632.db2.gz PVVQOBJFDYOAJL-UHFFFAOYSA-N -1 3 366.429 2.154 20 50 FEGDHM O=C(C[C@H]1OCCc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405249 607334293 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CSc1ccc(O[C@@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826231158 607715152 /nfs/dbraw/zinc/71/51/52/607715152.db2.gz ZQUIOYAMYHCUKP-NSHDSACASA-N -1 3 370.438 2.499 20 50 FEGDHM CSc1ccc(O[C@@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826231158 607715154 /nfs/dbraw/zinc/71/51/54/607715154.db2.gz ZQUIOYAMYHCUKP-NSHDSACASA-N -1 3 370.438 2.499 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000826448301 607721975 /nfs/dbraw/zinc/72/19/75/607721975.db2.gz PXUAVTDHJBMZST-RYUDHWBXSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000826448301 607721977 /nfs/dbraw/zinc/72/19/77/607721977.db2.gz PXUAVTDHJBMZST-RYUDHWBXSA-N -1 3 356.336 2.392 20 50 FEGDHM O=C(CCCOc1ccccc1F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406667 607726266 /nfs/dbraw/zinc/72/62/66/607726266.db2.gz HZNXORDRQRQOFZ-UHFFFAOYSA-N -1 3 356.361 2.308 20 50 FEGDHM O=C(CCCOc1ccccc1F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406667 607726267 /nfs/dbraw/zinc/72/62/67/607726267.db2.gz HZNXORDRQRQOFZ-UHFFFAOYSA-N -1 3 356.361 2.308 20 50 FEGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824158411 607792469 /nfs/dbraw/zinc/79/24/69/607792469.db2.gz WBMWXMHWSBDAOH-UHFFFAOYSA-N -1 3 371.445 2.027 20 50 FEGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824158411 607792470 /nfs/dbraw/zinc/79/24/70/607792470.db2.gz WBMWXMHWSBDAOH-UHFFFAOYSA-N -1 3 371.445 2.027 20 50 FEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C[C@H]1C[C@@H]1c1ccccc1 ZINC000826418960 607883182 /nfs/dbraw/zinc/88/31/82/607883182.db2.gz DBZXRIHOWWYQSO-GDBMZVCRSA-N -1 3 362.393 2.151 20 50 FEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C[C@H]1C[C@@H]1c1ccccc1 ZINC000826418960 607883183 /nfs/dbraw/zinc/88/31/83/607883183.db2.gz DBZXRIHOWWYQSO-GDBMZVCRSA-N -1 3 362.393 2.151 20 50 FEGDHM O=C(NN=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444633 607887970 /nfs/dbraw/zinc/88/79/70/607887970.db2.gz OCHBMBFGPDJHEU-UHFFFAOYSA-N -1 3 359.349 2.286 20 50 FEGDHM O=C(NN=Cc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444633 607887971 /nfs/dbraw/zinc/88/79/71/607887971.db2.gz OCHBMBFGPDJHEU-UHFFFAOYSA-N -1 3 359.349 2.286 20 50 FEGDHM C[C@H](C=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824385028 607930779 /nfs/dbraw/zinc/93/07/79/607930779.db2.gz KFQFXKAIOJRFBH-GFCCVEGCSA-N -1 3 368.372 2.290 20 50 FEGDHM C[C@H](C=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824385028 607930780 /nfs/dbraw/zinc/93/07/80/607930780.db2.gz KFQFXKAIOJRFBH-GFCCVEGCSA-N -1 3 368.372 2.290 20 50 FEGDHM N#CC(=Cc1nccn1CC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378914 608215578 /nfs/dbraw/zinc/21/55/78/608215578.db2.gz DPTYHAGQLYNZHI-KPKJPENVSA-N -1 3 373.298 2.415 20 50 FEGDHM N#CC(=Cc1nccn1CC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378914 608215579 /nfs/dbraw/zinc/21/55/79/608215579.db2.gz DPTYHAGQLYNZHI-KPKJPENVSA-N -1 3 373.298 2.415 20 50 FEGDHM N#CC(=Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379352 608216177 /nfs/dbraw/zinc/21/61/77/608216177.db2.gz PQJXKFNSQJIBEX-OVCLIPMQSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379352 608216178 /nfs/dbraw/zinc/21/61/78/608216178.db2.gz PQJXKFNSQJIBEX-OVCLIPMQSA-N -1 3 359.345 2.428 20 50 FEGDHM N#CC(=Cc1ccccc1-n1cncn1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379308 608217833 /nfs/dbraw/zinc/21/78/33/608217833.db2.gz OLLZVEWVROAGKF-LZYBPNLTSA-N -1 3 368.360 2.237 20 50 FEGDHM N#CC(=Cc1ccccc1-n1cncn1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379308 608217834 /nfs/dbraw/zinc/21/78/34/608217834.db2.gz OLLZVEWVROAGKF-LZYBPNLTSA-N -1 3 368.360 2.237 20 50 FEGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445398 608491092 /nfs/dbraw/zinc/49/10/92/608491092.db2.gz SGAXOWOWANTGOT-UHFFFAOYSA-N -1 3 356.148 2.398 20 50 FEGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445398 608491094 /nfs/dbraw/zinc/49/10/94/608491094.db2.gz SGAXOWOWANTGOT-UHFFFAOYSA-N -1 3 356.148 2.398 20 50 FEGDHM O=C(NNc1ccc(Cl)nn1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826447622 608805526 /nfs/dbraw/zinc/80/55/26/608805526.db2.gz OFUJPMKUZZSKFI-UHFFFAOYSA-N -1 3 366.172 2.112 20 50 FEGDHM COc1c(F)cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826167146 608809460 /nfs/dbraw/zinc/80/94/60/608809460.db2.gz RASCWSWHXDWVRZ-UHFFFAOYSA-N -1 3 361.312 2.302 20 50 FEGDHM COc1c(F)cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826167146 608809461 /nfs/dbraw/zinc/80/94/61/608809461.db2.gz RASCWSWHXDWVRZ-UHFFFAOYSA-N -1 3 361.312 2.302 20 50 FEGDHM COc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Cl)n1 ZINC000826209418 608816781 /nfs/dbraw/zinc/81/67/81/608816781.db2.gz AVFJYDPHNVVDRV-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM COc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Cl)n1 ZINC000826209418 608816785 /nfs/dbraw/zinc/81/67/85/608816785.db2.gz AVFJYDPHNVVDRV-UHFFFAOYSA-N -1 3 360.765 2.072 20 50 FEGDHM CCOc1cc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000825615980 609253529 /nfs/dbraw/zinc/25/35/29/609253529.db2.gz RKACDVRFKLPHLO-WMZJFQQLSA-N -1 3 366.381 2.128 20 50 FEGDHM CC(C)(C)c1nc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824141209 607344987 /nfs/dbraw/zinc/34/49/87/607344987.db2.gz DZNJROUCOIVSHM-UHFFFAOYSA-N -1 3 357.443 2.307 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000826446588 607353445 /nfs/dbraw/zinc/35/34/45/607353445.db2.gz QXEQGSHCAPSKKO-TZMCWYRMSA-N -1 3 356.336 2.392 20 50 FEGDHM CN(C)c1ccc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825879746 607353780 /nfs/dbraw/zinc/35/37/80/607353780.db2.gz QQKQBWNSKBVNCC-UHFFFAOYSA-N -1 3 351.414 2.009 20 50 FEGDHM CCOC(=O)c1ccc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825565783 607671139 /nfs/dbraw/zinc/67/11/39/607671139.db2.gz YKBDXJNIAOFUHN-UHFFFAOYSA-N -1 3 367.369 2.192 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000826448952 607716378 /nfs/dbraw/zinc/71/63/78/607716378.db2.gz UUCQLOWYTURGMO-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000826448952 607716380 /nfs/dbraw/zinc/71/63/80/607716380.db2.gz UUCQLOWYTURGMO-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Br)cs1 ZINC000826448808 607721920 /nfs/dbraw/zinc/72/19/20/607721920.db2.gz MTNDCSMHHQAGGB-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Br)cs1 ZINC000826448808 607721922 /nfs/dbraw/zinc/72/19/22/607721922.db2.gz MTNDCSMHHQAGGB-UHFFFAOYSA-N -1 3 365.216 2.448 20 50 FEGDHM CCCN(C)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825307714 607727579 /nfs/dbraw/zinc/72/75/79/607727579.db2.gz NGJQZIREXFDYTM-UHFFFAOYSA-N -1 3 351.414 2.470 20 50 FEGDHM CCCN(C)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825307714 607727581 /nfs/dbraw/zinc/72/75/81/607727581.db2.gz NGJQZIREXFDYTM-UHFFFAOYSA-N -1 3 351.414 2.470 20 50 FEGDHM O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(-c2nnn[n-]2)cs1 ZINC000823281160 606643024 /nfs/dbraw/zinc/64/30/24/606643024.db2.gz MYFWHKVMFVMZLA-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(NNc1ccc(-c2ccccc2)nn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823281160 606643025 /nfs/dbraw/zinc/64/30/25/606643025.db2.gz MYFWHKVMFVMZLA-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM O=C(NNc1cc(F)c(F)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823280595 606696893 /nfs/dbraw/zinc/69/68/93/606696893.db2.gz CPNDHZSZJIPOQP-UHFFFAOYSA-N -1 3 370.241 2.319 20 50 FEGDHM O=C(NNc1cc(F)c(F)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823280595 606696894 /nfs/dbraw/zinc/69/68/94/606696894.db2.gz CPNDHZSZJIPOQP-UHFFFAOYSA-N -1 3 370.241 2.319 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)Nc2cccc(C)c2O)cc(-c2nn[n-]n2)n1C ZINC000826298698 607999542 /nfs/dbraw/zinc/99/95/42/607999542.db2.gz DPNKVMZJJNURCF-NTUHNPAUSA-N -1 3 363.381 2.073 20 50 FEGDHM Cc1cc(Cl)cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000826267499 608389351 /nfs/dbraw/zinc/38/93/51/608389351.db2.gz IPWPDAYWDOEKMJ-UHFFFAOYSA-N -1 3 356.773 2.298 20 50 FEGDHM C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824505266 608537853 /nfs/dbraw/zinc/53/78/53/608537853.db2.gz AWTUYRWWKKTPPD-JTQLQIEISA-N -1 3 368.357 2.162 20 50 FEGDHM C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824505266 608537854 /nfs/dbraw/zinc/53/78/54/608537854.db2.gz AWTUYRWWKKTPPD-JTQLQIEISA-N -1 3 368.357 2.162 20 50 FEGDHM Cc1c(NC(=O)NNc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000826241544 608816544 /nfs/dbraw/zinc/81/65/44/608816544.db2.gz HCIWCYXABRSNOB-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM Cc1c(NC(=O)NNc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000826241544 608816545 /nfs/dbraw/zinc/81/65/45/608816545.db2.gz HCIWCYXABRSNOB-UHFFFAOYSA-N -1 3 354.330 2.232 20 50 FEGDHM CC(C)C[C@@H]1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824235139 609282339 /nfs/dbraw/zinc/28/23/39/609282339.db2.gz CMDSJBZRJWRVPU-UKRRQHHQSA-N -1 3 359.434 2.087 20 50 FEGDHM CC(C)C[C@@H]1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824235139 609282340 /nfs/dbraw/zinc/28/23/40/609282340.db2.gz CMDSJBZRJWRVPU-UKRRQHHQSA-N -1 3 359.434 2.087 20 50 FEGDHM CCOc1ccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825638139 607335459 /nfs/dbraw/zinc/33/54/59/607335459.db2.gz GXNWLNONMYXZCC-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM CCOc1ccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825638139 607335460 /nfs/dbraw/zinc/33/54/60/607335460.db2.gz GXNWLNONMYXZCC-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM COc1cccc([C@@H]2C[C@@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214962 607353897 /nfs/dbraw/zinc/35/38/97/607353897.db2.gz BXTSRRXXBHVLAQ-HOTGVXAUSA-N -1 3 350.382 2.122 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826448781 607464239 /nfs/dbraw/zinc/46/42/39/607464239.db2.gz LJRIACRPUYFHBA-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000826448781 607464241 /nfs/dbraw/zinc/46/42/41/607464241.db2.gz LJRIACRPUYFHBA-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM CC1(C)CCCC[C@@H]1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824802715 607712812 /nfs/dbraw/zinc/71/28/12/607712812.db2.gz OUNUUADCAYVRFO-CQSZACIVSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCCC[C@@H]1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824802715 607712815 /nfs/dbraw/zinc/71/28/15/607712815.db2.gz OUNUUADCAYVRFO-CQSZACIVSA-N -1 3 356.430 2.234 20 50 FEGDHM O=C(COc1ccc(F)cc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418088 607728385 /nfs/dbraw/zinc/72/83/85/607728385.db2.gz QTMNPGOXCMOJFD-UHFFFAOYSA-N -1 3 362.752 2.181 20 50 FEGDHM O=C(COc1ccc(F)cc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418088 607728387 /nfs/dbraw/zinc/72/83/87/607728387.db2.gz QTMNPGOXCMOJFD-UHFFFAOYSA-N -1 3 362.752 2.181 20 50 FEGDHM CCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1C(C)(C)C ZINC000825687624 607732947 /nfs/dbraw/zinc/73/29/47/607732947.db2.gz KNXZONSVYHYGPP-UHFFFAOYSA-N -1 3 354.418 2.138 20 50 FEGDHM CCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1C(C)(C)C ZINC000825687624 607732949 /nfs/dbraw/zinc/73/29/49/607732949.db2.gz KNXZONSVYHYGPP-UHFFFAOYSA-N -1 3 354.418 2.138 20 50 FEGDHM Cc1cc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)ccc1Br ZINC000826271157 607756244 /nfs/dbraw/zinc/75/62/44/607756244.db2.gz FVNVHWKSJRRSBW-UHFFFAOYSA-N -1 3 362.191 2.023 20 50 FEGDHM Cc1cc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccc1Br ZINC000826271157 607756245 /nfs/dbraw/zinc/75/62/45/607756245.db2.gz FVNVHWKSJRRSBW-UHFFFAOYSA-N -1 3 362.191 2.023 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000823280624 606818127 /nfs/dbraw/zinc/81/81/27/606818127.db2.gz DTQZIRZIXZPXIT-SSDOTTSWSA-N -1 3 358.349 2.082 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000823280624 606818124 /nfs/dbraw/zinc/81/81/24/606818124.db2.gz DTQZIRZIXZPXIT-SSDOTTSWSA-N -1 3 358.349 2.082 20 50 FEGDHM COc1cc(C)cc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826178298 607782555 /nfs/dbraw/zinc/78/25/55/607782555.db2.gz RRRHRXDCYTYKRH-UHFFFAOYSA-N -1 3 353.386 2.010 20 50 FEGDHM COc1cc(C)cc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826178298 607782556 /nfs/dbraw/zinc/78/25/56/607782556.db2.gz RRRHRXDCYTYKRH-UHFFFAOYSA-N -1 3 353.386 2.010 20 50 FEGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@H]1COc2ccccc21 ZINC000824499365 607860363 /nfs/dbraw/zinc/86/03/63/607860363.db2.gz OGWPGGADGSAVIT-IAQYHMDHSA-N -1 3 365.397 2.058 20 50 FEGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@H]1COc2ccccc21 ZINC000824499365 607860364 /nfs/dbraw/zinc/86/03/64/607860364.db2.gz OGWPGGADGSAVIT-IAQYHMDHSA-N -1 3 365.397 2.058 20 50 FEGDHM Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826333237 607887796 /nfs/dbraw/zinc/88/77/96/607887796.db2.gz ZOCGPEKGGMBAMC-UHFFFAOYSA-N -1 3 372.392 2.125 20 50 FEGDHM Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826333237 607887797 /nfs/dbraw/zinc/88/77/97/607887797.db2.gz ZOCGPEKGGMBAMC-UHFFFAOYSA-N -1 3 372.392 2.125 20 50 FEGDHM Cc1ncc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1-c1ccccc1 ZINC000826329463 607887890 /nfs/dbraw/zinc/88/78/90/607887890.db2.gz DYHHYFKBZSQIJP-UHFFFAOYSA-N -1 3 372.392 2.125 20 50 FEGDHM Cc1ncc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1-c1ccccc1 ZINC000826329463 607887891 /nfs/dbraw/zinc/88/78/91/607887891.db2.gz DYHHYFKBZSQIJP-UHFFFAOYSA-N -1 3 372.392 2.125 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(C2CCCCC2)n[nH]1 ZINC000826448969 607995998 /nfs/dbraw/zinc/99/59/98/607995998.db2.gz VOWAZZROGWYFNI-UHFFFAOYSA-N -1 3 352.402 2.394 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(C2CCCCC2)n[nH]1 ZINC000826448969 607995999 /nfs/dbraw/zinc/99/59/99/607995999.db2.gz VOWAZZROGWYFNI-UHFFFAOYSA-N -1 3 352.402 2.394 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc([C@H]2CCOC2)c1 ZINC000826448648 608075060 /nfs/dbraw/zinc/07/50/60/608075060.db2.gz FDIZVQWZQFTFJA-HNNXBMFYSA-N -1 3 350.382 2.128 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc([C@H]2CCOC2)c1 ZINC000826448648 608075061 /nfs/dbraw/zinc/07/50/61/608075061.db2.gz FDIZVQWZQFTFJA-HNNXBMFYSA-N -1 3 350.382 2.128 20 50 FEGDHM CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953560 608092457 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CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824851568 608289346 /nfs/dbraw/zinc/28/93/46/608289346.db2.gz AHLFGHAVHJLMOH-XJKSGUPXSA-N -1 3 354.414 2.340 20 50 FEGDHM Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(-c2cccs2)n1 ZINC000826358874 608546174 /nfs/dbraw/zinc/54/61/74/608546174.db2.gz MDIRPUNTGSFJJR-UHFFFAOYSA-N -1 3 366.410 2.086 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCC(C)(C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235122 608639671 /nfs/dbraw/zinc/63/96/71/608639671.db2.gz CDVLQYWEGSTISY-GUNGLEHYSA-N -1 3 353.430 2.116 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCC(C)(C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235122 608639674 /nfs/dbraw/zinc/63/96/74/608639674.db2.gz CDVLQYWEGSTISY-GUNGLEHYSA-N -1 3 353.430 2.116 20 50 FEGDHM CCOc1ccc(OC)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825643578 608811377 /nfs/dbraw/zinc/81/13/77/608811377.db2.gz QWXJVJCYDIVXKA-UHFFFAOYSA-N -1 3 369.385 2.423 20 50 FEGDHM CCOc1ccc(OC)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825643578 608811380 /nfs/dbraw/zinc/81/13/80/608811380.db2.gz QWXJVJCYDIVXKA-UHFFFAOYSA-N -1 3 369.385 2.423 20 50 FEGDHM CC(C)OC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824305882 609302162 /nfs/dbraw/zinc/30/21/62/609302162.db2.gz VXAJKASFDJFHIA-RIYZIHGNSA-N -1 3 363.381 2.126 20 50 FEGDHM CC(C)OC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824305882 609302164 /nfs/dbraw/zinc/30/21/64/609302164.db2.gz VXAJKASFDJFHIA-RIYZIHGNSA-N -1 3 363.381 2.126 20 50 FEGDHM Cc1ccc(C(=O)C(=O)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826281330 609498159 /nfs/dbraw/zinc/49/81/59/609498159.db2.gz NBILUTPUALQOLT-UHFFFAOYSA-N -1 3 356.773 2.155 20 50 FEGDHM Cc1ccc(C(=O)C(=O)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826281330 609498161 /nfs/dbraw/zinc/49/81/61/609498161.db2.gz NBILUTPUALQOLT-UHFFFAOYSA-N -1 3 356.773 2.155 20 50 FEGDHM CC(C)C(=O)Nc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824184276 607343727 /nfs/dbraw/zinc/34/37/27/607343727.db2.gz FBDDUZOXTNNZNF-UHFFFAOYSA-N -1 3 365.397 2.218 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccncc2)s1 ZINC000826447378 607345187 /nfs/dbraw/zinc/34/51/87/607345187.db2.gz CAVUCOJXEXIAQC-UHFFFAOYSA-N -1 3 364.394 2.142 20 50 FEGDHM CCO[C@H](C)c1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825576605 607350023 /nfs/dbraw/zinc/35/00/23/607350023.db2.gz LTCPUSGHHPEKIP-SECBINFHSA-N -1 3 359.415 2.178 20 50 FEGDHM C[C@H](CC(=O)c1ccccc1F)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824390996 607350162 /nfs/dbraw/zinc/35/01/62/607350162.db2.gz FZJGDRPJADKABL-LLVKDONJSA-N -1 3 368.372 2.358 20 50 FEGDHM C=CCOc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000823931822 607350841 /nfs/dbraw/zinc/35/08/41/607350841.db2.gz GKIMUQQRCPEPHS-UHFFFAOYSA-N -1 3 366.381 2.197 20 50 FEGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(Cl)cc1 ZINC000824746103 607464062 /nfs/dbraw/zinc/46/40/62/607464062.db2.gz VKTZMBLYGPSDPH-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(Cl)cc1 ZINC000824746103 607464063 /nfs/dbraw/zinc/46/40/63/607464063.db2.gz VKTZMBLYGPSDPH-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM CCCOc1cccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825341331 607727829 /nfs/dbraw/zinc/72/78/29/607727829.db2.gz ACAHGNHTKBOIFC-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM CCCOc1cccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825341331 607727830 /nfs/dbraw/zinc/72/78/30/607727830.db2.gz ACAHGNHTKBOIFC-UHFFFAOYSA-N -1 3 352.398 2.341 20 50 FEGDHM Cn1cc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000826360788 607728390 /nfs/dbraw/zinc/72/83/90/607728390.db2.gz YFBVTDUIOUOQOM-UHFFFAOYSA-N -1 3 361.409 2.434 20 50 FEGDHM Cn1cc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826360788 607728392 /nfs/dbraw/zinc/72/83/92/607728392.db2.gz YFBVTDUIOUOQOM-UHFFFAOYSA-N -1 3 361.409 2.434 20 50 FEGDHM O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445905 607824594 /nfs/dbraw/zinc/82/45/94/607824594.db2.gz QEQQEGGEIILEEG-UHFFFAOYSA-N -1 3 355.255 2.110 20 50 FEGDHM O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445905 607824595 /nfs/dbraw/zinc/82/45/95/607824595.db2.gz QEQQEGGEIILEEG-UHFFFAOYSA-N -1 3 355.255 2.110 20 50 FEGDHM Cc1ccc(C)c(OCC(=O)NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826284695 607881870 /nfs/dbraw/zinc/88/18/70/607881870.db2.gz BUHPUQKPFGAHKY-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM Cc1ccc(C)c(OCC(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826284695 607881871 /nfs/dbraw/zinc/88/18/71/607881871.db2.gz BUHPUQKPFGAHKY-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-c2ccoc2)c1 ZINC000826445508 608026252 /nfs/dbraw/zinc/02/62/52/608026252.db2.gz XJAUWOXINRRJPC-UHFFFAOYSA-N -1 3 374.360 2.202 20 50 FEGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-c2ccoc2)c1 ZINC000826445508 608026253 /nfs/dbraw/zinc/02/62/53/608026253.db2.gz XJAUWOXINRRJPC-UHFFFAOYSA-N -1 3 374.360 2.202 20 50 FEGDHM O=C(NNc1ccnc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449072 608112603 /nfs/dbraw/zinc/11/26/03/608112603.db2.gz ADWVBGGCKOPJSE-UHFFFAOYSA-N -1 3 354.761 2.153 20 50 FEGDHM O=C(NNc1ccnc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449072 608112604 /nfs/dbraw/zinc/11/26/04/608112604.db2.gz ADWVBGGCKOPJSE-UHFFFAOYSA-N -1 3 354.761 2.153 20 50 FEGDHM CCCn1ncc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825363236 608244448 /nfs/dbraw/zinc/24/44/48/608244448.db2.gz VZIRQQFLJOMFQJ-UHFFFAOYSA-N -1 3 352.402 2.108 20 50 FEGDHM CCCn1ncc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825363236 608244449 /nfs/dbraw/zinc/24/44/49/608244449.db2.gz VZIRQQFLJOMFQJ-UHFFFAOYSA-N -1 3 352.402 2.108 20 50 FEGDHM Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)n1 ZINC000826358837 608277520 /nfs/dbraw/zinc/27/75/20/608277520.db2.gz KWWMVIBYQXHOCK-UHFFFAOYSA-N -1 3 360.381 2.024 20 50 FEGDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1cccc(C#N)c1 ZINC000825626057 608808668 /nfs/dbraw/zinc/80/86/68/608808668.db2.gz GQAJSEZBDVNZFZ-UHFFFAOYSA-N -1 3 364.369 2.286 20 50 FEGDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1cccc(C#N)c1 ZINC000825626057 608808670 /nfs/dbraw/zinc/80/86/70/608808670.db2.gz GQAJSEZBDVNZFZ-UHFFFAOYSA-N -1 3 364.369 2.286 20 50 FEGDHM O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826449370 608815768 /nfs/dbraw/zinc/81/57/68/608815768.db2.gz PAHVLZYLLBOAIP-UHFFFAOYSA-N -1 3 358.293 2.063 20 50 FEGDHM O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826449370 608815771 /nfs/dbraw/zinc/81/57/71/608815771.db2.gz PAHVLZYLLBOAIP-UHFFFAOYSA-N -1 3 358.293 2.063 20 50 FEGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826272839 609262724 /nfs/dbraw/zinc/26/27/24/609262724.db2.gz DHBFUTCFNTXNII-UHFFFAOYSA-N -1 3 359.393 2.409 20 50 FEGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826272839 609262726 /nfs/dbraw/zinc/26/27/26/609262726.db2.gz DHBFUTCFNTXNII-UHFFFAOYSA-N -1 3 359.393 2.409 20 50 FEGDHM C[C@H](Oc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824745192 607335210 /nfs/dbraw/zinc/33/52/10/607335210.db2.gz OKWNDHQQAAGMDE-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM C[C@H](Oc1cccc(Cl)c1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824745192 607335211 /nfs/dbraw/zinc/33/52/11/607335211.db2.gz OKWNDHQQAAGMDE-JTQLQIEISA-N -1 3 358.789 2.431 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826449041 607336617 /nfs/dbraw/zinc/33/66/17/607336617.db2.gz YUXUUOYRXDLWML-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000826449041 607336619 /nfs/dbraw/zinc/33/66/19/607336619.db2.gz YUXUUOYRXDLWML-UHFFFAOYSA-N -1 3 359.733 2.185 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000826446579 607342240 /nfs/dbraw/zinc/34/22/40/607342240.db2.gz QTNVGWYBYGCANE-BEFAXECRSA-N -1 3 362.393 2.050 20 50 FEGDHM C[C@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1 ZINC000824384952 607342973 /nfs/dbraw/zinc/34/29/73/607342973.db2.gz ILEXGYLIQHCHIO-GFCCVEGCSA-N -1 3 350.382 2.219 20 50 FEGDHM Cc1nn(-c2ccccc2)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826332988 607343548 /nfs/dbraw/zinc/34/35/48/607343548.db2.gz PMHRZCSZGNMGTK-UHFFFAOYSA-N -1 3 360.381 2.118 20 50 FEGDHM Cc1c2ccccc2[nH]c(=O)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826234623 607345519 /nfs/dbraw/zinc/34/55/19/607345519.db2.gz GRQUYZKWECGFJI-UHFFFAOYSA-N -1 3 361.365 2.186 20 50 FEGDHM CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825158855 607347968 /nfs/dbraw/zinc/34/79/68/607347968.db2.gz CKTOKTIOPCOMHP-MRXNPFEDSA-N -1 3 352.398 2.476 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000826447204 607354555 /nfs/dbraw/zinc/35/45/55/607354555.db2.gz SZBZYWYUGIXTCV-UHFFFAOYSA-N -1 3 370.323 2.438 20 50 FEGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNc1cccc2cnccc21 ZINC000826408332 607398354 /nfs/dbraw/zinc/39/83/54/607398354.db2.gz BCBWFFXSCLEUPM-UHFFFAOYSA-N -1 3 359.393 2.491 20 50 FEGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNc1cccc2cnccc21 ZINC000826408332 607398355 /nfs/dbraw/zinc/39/83/55/607398355.db2.gz BCBWFFXSCLEUPM-UHFFFAOYSA-N -1 3 359.393 2.491 20 50 FEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ncccc1C(F)(F)F ZINC000826249650 607462169 /nfs/dbraw/zinc/46/21/69/607462169.db2.gz MYUPLDJNMPDPQQ-UHFFFAOYSA-N -1 3 363.303 2.346 20 50 FEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ncccc1C(F)(F)F ZINC000826249650 607462170 /nfs/dbraw/zinc/46/21/70/607462170.db2.gz MYUPLDJNMPDPQQ-UHFFFAOYSA-N -1 3 363.303 2.346 20 50 FEGDHM Cc1nc(SCC(=O)NNc2ccccc2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327310 607712318 /nfs/dbraw/zinc/71/23/18/607712318.db2.gz CEEHZOHZYRDPCR-UHFFFAOYSA-N -1 3 369.454 2.422 20 50 FEGDHM Cc1nc(SCC(=O)NNc2ccccc2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327310 607712320 /nfs/dbraw/zinc/71/23/20/607712320.db2.gz CEEHZOHZYRDPCR-UHFFFAOYSA-N -1 3 369.454 2.422 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826448823 607712858 /nfs/dbraw/zinc/71/28/58/607712858.db2.gz NOEXHWLXFOIKJB-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000826448823 607712860 /nfs/dbraw/zinc/71/28/60/607712860.db2.gz NOEXHWLXFOIKJB-UHFFFAOYSA-N -1 3 359.187 2.386 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000826448348 607716013 /nfs/dbraw/zinc/71/60/13/607716013.db2.gz RDLYIPXKDODYIU-KXBFYZLASA-N -1 3 362.393 2.050 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000826448348 607716014 /nfs/dbraw/zinc/71/60/14/607716014.db2.gz RDLYIPXKDODYIU-KXBFYZLASA-N -1 3 362.393 2.050 20 50 FEGDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421262 607722844 /nfs/dbraw/zinc/72/28/44/607722844.db2.gz ZKCWQXXBGQSGQW-UHFFFAOYSA-N -1 3 371.382 2.010 20 50 FEGDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421262 607722846 /nfs/dbraw/zinc/72/28/46/607722846.db2.gz ZKCWQXXBGQSGQW-UHFFFAOYSA-N -1 3 371.382 2.010 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000826448505 607723784 /nfs/dbraw/zinc/72/37/84/607723784.db2.gz YEBFXUVGWICRNR-GFCCVEGCSA-N -1 3 370.800 2.215 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000826448505 607723786 /nfs/dbraw/zinc/72/37/86/607723786.db2.gz YEBFXUVGWICRNR-GFCCVEGCSA-N -1 3 370.800 2.215 20 50 FEGDHM CSc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826230499 607725657 /nfs/dbraw/zinc/72/56/57/607725657.db2.gz WSXPECAXDVCVGL-UHFFFAOYSA-N -1 3 371.382 2.254 20 50 FEGDHM CSc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826230499 607725658 /nfs/dbraw/zinc/72/56/58/607725658.db2.gz WSXPECAXDVCVGL-UHFFFAOYSA-N -1 3 371.382 2.254 20 50 FEGDHM CCOc1ncc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000825658735 607725883 /nfs/dbraw/zinc/72/58/83/607725883.db2.gz JQAQQLSSBCHSHN-UHFFFAOYSA-N -1 3 359.777 2.071 20 50 FEGDHM CCOc1ncc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000825658735 607725885 /nfs/dbraw/zinc/72/58/85/607725885.db2.gz JQAQQLSSBCHSHN-UHFFFAOYSA-N -1 3 359.777 2.071 20 50 FEGDHM COc1ccc2[nH]cc(CC(=O)NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826212244 607727876 /nfs/dbraw/zinc/72/78/76/607727876.db2.gz KWDPBSLGAZDLCC-UHFFFAOYSA-N -1 3 363.381 2.042 20 50 FEGDHM COc1ccc2[nH]cc(CC(=O)NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826212244 607727879 /nfs/dbraw/zinc/72/78/79/607727879.db2.gz KWDPBSLGAZDLCC-UHFFFAOYSA-N -1 3 363.381 2.042 20 50 FEGDHM CC(C)(Oc1ccc(F)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824177359 607730584 /nfs/dbraw/zinc/73/05/84/607730584.db2.gz HMOLYQUEQWHZHK-UHFFFAOYSA-N -1 3 356.361 2.307 20 50 FEGDHM CC(C)(Oc1ccc(F)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824177359 607730586 /nfs/dbraw/zinc/73/05/86/607730586.db2.gz HMOLYQUEQWHZHK-UHFFFAOYSA-N -1 3 356.361 2.307 20 50 FEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1C[C@H]1C1CC1 ZINC000823280911 606293422 /nfs/dbraw/zinc/29/34/22/606293422.db2.gz IDGAFURZCULFFE-QWRGUYRKSA-N -1 3 352.320 2.375 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1C[C@H]1C1CC1 ZINC000823280911 606293424 /nfs/dbraw/zinc/29/34/24/606293424.db2.gz IDGAFURZCULFFE-QWRGUYRKSA-N -1 3 352.320 2.375 20 50 FEGDHM CCCCCCCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271183 607854508 /nfs/dbraw/zinc/85/45/08/607854508.db2.gz ICAXDGVATOKFTJ-UHFFFAOYSA-N -1 3 359.434 2.171 20 50 FEGDHM CCCCCCCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271183 607854509 /nfs/dbraw/zinc/85/45/09/607854509.db2.gz ICAXDGVATOKFTJ-UHFFFAOYSA-N -1 3 359.434 2.171 20 50 FEGDHM Cc1cc(C)cc(OCC(=O)NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826264249 607882091 /nfs/dbraw/zinc/88/20/91/607882091.db2.gz HICGLSYJQLDKIP-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM Cc1cc(C)cc(OCC(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826264249 607882092 /nfs/dbraw/zinc/88/20/92/607882092.db2.gz HICGLSYJQLDKIP-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM COc1nc2ccccc2cc1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826221659 607887634 /nfs/dbraw/zinc/88/76/34/607887634.db2.gz PBBDMVMLESDRLS-UHFFFAOYSA-N -1 3 373.376 2.187 20 50 FEGDHM COc1nc2ccccc2cc1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826221659 607887635 /nfs/dbraw/zinc/88/76/35/607887635.db2.gz PBBDMVMLESDRLS-UHFFFAOYSA-N -1 3 373.376 2.187 20 50 FEGDHM CC(C)c1nc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccn21 ZINC000824358727 607888326 /nfs/dbraw/zinc/88/83/26/607888326.db2.gz PCJHMGFFLJLFSO-UHFFFAOYSA-N -1 3 374.408 2.402 20 50 FEGDHM CC(C)c1nc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccn21 ZINC000824358727 607888327 /nfs/dbraw/zinc/88/83/27/607888327.db2.gz PCJHMGFFLJLFSO-UHFFFAOYSA-N -1 3 374.408 2.402 20 50 FEGDHM CC1(C)CCC[C@@H](CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801326 607889398 /nfs/dbraw/zinc/88/93/98/607889398.db2.gz DHPLJAJTSBHSSO-LBPRGKRZSA-N -1 3 356.430 2.234 20 50 FEGDHM CC1(C)CCC[C@@H](CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801326 607889399 /nfs/dbraw/zinc/88/93/99/607889399.db2.gz DHPLJAJTSBHSSO-LBPRGKRZSA-N -1 3 356.430 2.234 20 50 FEGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nc2c(s1)CCCC2 ZINC000823948734 608053815 /nfs/dbraw/zinc/05/38/15/608053815.db2.gz VMVBAIQLZIGYBX-UHFFFAOYSA-N -1 3 367.438 2.356 20 50 FEGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nc2c(s1)CCCC2 ZINC000823948734 608053816 /nfs/dbraw/zinc/05/38/16/608053816.db2.gz VMVBAIQLZIGYBX-UHFFFAOYSA-N -1 3 367.438 2.356 20 50 FEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823948239 608093315 /nfs/dbraw/zinc/09/33/15/608093315.db2.gz IMYWQGGJEHPXCW-SNVBAGLBSA-N -1 3 374.401 2.375 20 50 FEGDHM CNC(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826067177 608214915 /nfs/dbraw/zinc/21/49/15/608214915.db2.gz DIKFUYLXYYOPPM-SXGWCWSVSA-N -1 3 358.361 2.016 20 50 FEGDHM CNC(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826067177 608214917 /nfs/dbraw/zinc/21/49/17/608214917.db2.gz DIKFUYLXYYOPPM-SXGWCWSVSA-N -1 3 358.361 2.016 20 50 FEGDHM CNC(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826067172 608214944 /nfs/dbraw/zinc/21/49/44/608214944.db2.gz DIKFUYLXYYOPPM-CXUHLZMHSA-N -1 3 358.361 2.016 20 50 FEGDHM CNC(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826067172 608214946 /nfs/dbraw/zinc/21/49/46/608214946.db2.gz DIKFUYLXYYOPPM-CXUHLZMHSA-N -1 3 358.361 2.016 20 50 FEGDHM CC(C)(C)c1nnc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000824141165 608807384 /nfs/dbraw/zinc/80/73/84/608807384.db2.gz DJWQDEPJXKLMCI-UHFFFAOYSA-N -1 3 359.419 2.164 20 50 FEGDHM CC(C)(C)c1nnc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000824141165 608807386 /nfs/dbraw/zinc/80/73/86/608807386.db2.gz DJWQDEPJXKLMCI-UHFFFAOYSA-N -1 3 359.419 2.164 20 50 FEGDHM CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953832 609157118 /nfs/dbraw/zinc/15/71/18/609157118.db2.gz RUKNZUZDGLTDDX-UHFFFAOYSA-N -1 3 367.388 2.226 20 50 FEGDHM CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953832 609157120 /nfs/dbraw/zinc/15/71/20/609157120.db2.gz RUKNZUZDGLTDDX-UHFFFAOYSA-N -1 3 367.388 2.226 20 50 FEGDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NNc1ccccc1F ZINC000824172692 607338451 /nfs/dbraw/zinc/33/84/51/607338451.db2.gz ORKYZUAAXKYAMV-UHFFFAOYSA-N -1 3 356.361 2.307 20 50 FEGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccccc1F ZINC000824172692 607338452 /nfs/dbraw/zinc/33/84/52/607338452.db2.gz ORKYZUAAXKYAMV-UHFFFAOYSA-N -1 3 356.361 2.307 20 50 FEGDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421190 607347031 /nfs/dbraw/zinc/34/70/31/607347031.db2.gz VUFQJYAVNQLKAZ-UHFFFAOYSA-N -1 3 371.382 2.010 20 50 FEGDHM O=C(COc1ccc(F)cc1Cl)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826418128 607350457 /nfs/dbraw/zinc/35/04/57/607350457.db2.gz RYVSDVQETLWEPF-UHFFFAOYSA-N -1 3 362.752 2.181 20 50 FEGDHM COc1ccc(SCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826211507 607352512 /nfs/dbraw/zinc/35/25/12/607352512.db2.gz HVACJFPRUZKSEU-UHFFFAOYSA-N -1 3 356.411 2.111 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1SCCc2sccc21 ZINC000826446634 607357093 /nfs/dbraw/zinc/35/70/93/607357093.db2.gz SLJJABROURDYIB-CYBMUJFWSA-N -1 3 358.452 2.402 20 50 FEGDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NNc1ccccc1 ZINC000826405886 607712496 /nfs/dbraw/zinc/71/24/96/607712496.db2.gz YBBDQYDUWMNYHI-UHFFFAOYSA-N -1 3 365.397 2.119 20 50 FEGDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NNc1ccccc1 ZINC000826405886 607712498 /nfs/dbraw/zinc/71/24/98/607712498.db2.gz YBBDQYDUWMNYHI-UHFFFAOYSA-N -1 3 365.397 2.119 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)nc(Cl)c1 ZINC000826449008 607716544 /nfs/dbraw/zinc/71/65/44/607716544.db2.gz XOFRRSWDPWVKQG-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)nc(Cl)c1 ZINC000826449008 607716546 /nfs/dbraw/zinc/71/65/46/607716546.db2.gz XOFRRSWDPWVKQG-UHFFFAOYSA-N -1 3 350.169 2.325 20 50 FEGDHM O=C(COC/C=C/c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826416717 607728373 /nfs/dbraw/zinc/72/83/73/607728373.db2.gz LUBXIYSQNKMXRE-VMPITWQZSA-N -1 3 350.382 2.040 20 50 FEGDHM O=C(COC/C=C/c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826416717 607728375 /nfs/dbraw/zinc/72/83/75/607728375.db2.gz 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ZINC000826296659 607882942 /nfs/dbraw/zinc/88/29/42/607882942.db2.gz FBRLPGZCXWYLNE-UHFFFAOYSA-N -1 3 350.382 2.013 20 50 FEGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1nc2c(s1)CCCC2 ZINC000823954052 608053848 /nfs/dbraw/zinc/05/38/48/608053848.db2.gz WYTZIPFEGQEJJW-UHFFFAOYSA-N -1 3 367.438 2.356 20 50 FEGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1nc2c(s1)CCCC2 ZINC000823954052 608053849 /nfs/dbraw/zinc/05/38/49/608053849.db2.gz WYTZIPFEGQEJJW-UHFFFAOYSA-N -1 3 367.438 2.356 20 50 FEGDHM COc1ccccc1SCC(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826221338 608054299 /nfs/dbraw/zinc/05/42/99/608054299.db2.gz ZZPPMEBQFRAJGE-UHFFFAOYSA-N -1 3 374.451 2.179 20 50 FEGDHM COc1ccc2oc(C=NNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826213625 608110112 /nfs/dbraw/zinc/11/01/12/608110112.db2.gz DZGQGQAMSLAPSJ-UHFFFAOYSA-N -1 3 362.349 2.385 20 50 FEGDHM COc1ccc2oc(C=NNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213625 608110113 /nfs/dbraw/zinc/11/01/13/608110113.db2.gz DZGQGQAMSLAPSJ-UHFFFAOYSA-N -1 3 362.349 2.385 20 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CCN(CC)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825415873 607462527 /nfs/dbraw/zinc/46/25/27/607462527.db2.gz FCBUSJNOTRMXQT-UHFFFAOYSA-N -1 3 351.414 2.470 20 50 FEGDHM CC1(OCC(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000824844027 607512904 /nfs/dbraw/zinc/51/29/04/607512904.db2.gz MUCDSSBYRDCZOL-UHFFFAOYSA-N -1 3 370.335 2.288 20 50 FEGDHM CC1(OCC(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC000824844027 607512905 /nfs/dbraw/zinc/51/29/05/607512905.db2.gz MUCDSSBYRDCZOL-UHFFFAOYSA-N -1 3 370.335 2.288 20 50 FEGDHM O=C(NN=C1CCc2c1c(F)ccc2F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444448 607531423 /nfs/dbraw/zinc/53/14/23/607531423.db2.gz GZPFUHYPNCHGJE-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM O=C(NN=C1CCc2c1c(F)ccc2F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444448 607531425 /nfs/dbraw/zinc/53/14/25/607531425.db2.gz GZPFUHYPNCHGJE-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM CC[C@H](SC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825158962 607635239 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CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825879417 607724351 /nfs/dbraw/zinc/72/43/51/607724351.db2.gz MRUTZDXLHBMIJV-IRXDYDNUSA-N -1 3 363.425 2.180 20 50 FEGDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825879417 607724352 /nfs/dbraw/zinc/72/43/52/607724352.db2.gz MRUTZDXLHBMIJV-IRXDYDNUSA-N -1 3 363.425 2.180 20 50 FEGDHM Cc1ccccc1OCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826307287 607721186 /nfs/dbraw/zinc/72/11/86/607721186.db2.gz BMVOSSNDXYFISL-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM Cc1ccccc1OCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826307287 607721188 /nfs/dbraw/zinc/72/11/88/607721188.db2.gz BMVOSSNDXYFISL-UHFFFAOYSA-N -1 3 352.398 2.477 20 50 FEGDHM C[C@@H](CC(=O)c1ccccc1F)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824394605 607727805 /nfs/dbraw/zinc/72/78/05/607727805.db2.gz YGRYYTFJMIJZGJ-NSHDSACASA-N -1 3 368.372 2.358 20 50 FEGDHM C[C@@H](CC(=O)c1ccccc1F)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824394605 607727807 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FEGDHM O=C(NNc1cccc2cnccc21)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826449380 607399135 /nfs/dbraw/zinc/39/91/35/607399135.db2.gz PFJZUVHQZVBLOK-UHFFFAOYSA-N -1 3 366.772 2.220 20 50 FEGDHM Cc1ccc(NNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826291637 607457544 /nfs/dbraw/zinc/45/75/44/607457544.db2.gz OOUBLFZEEROQIY-UHFFFAOYSA-N -1 3 352.398 2.476 20 50 FEGDHM Cc1ccc(NNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826291637 607457545 /nfs/dbraw/zinc/45/75/45/607457545.db2.gz OOUBLFZEEROQIY-UHFFFAOYSA-N -1 3 352.398 2.476 20 50 FEGDHM O=C(NN=C1CCc2c1c(F)ccc2F)c1cccc(-c2nnn[n-]2)c1 ZINC000826444690 607531462 /nfs/dbraw/zinc/53/14/62/607531462.db2.gz QMAOKBIIHSKQTD-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM O=C(NN=C1CCc2c1c(F)ccc2F)c1cccc(-c2nn[n-]n2)c1 ZINC000826444690 607531464 /nfs/dbraw/zinc/53/14/64/607531464.db2.gz QMAOKBIIHSKQTD-UHFFFAOYSA-N -1 3 354.320 2.225 20 50 FEGDHM Cc1nc2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2nc1C ZINC000826329150 607719344 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606127567 /nfs/dbraw/zinc/12/75/67/606127567.db2.gz IAWQLYFXQXMFBF-UHFFFAOYSA-N -1 3 367.266 2.177 20 50 FEGDHM O=C(NNC(=O)c1ccc2sccc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277574 606718682 /nfs/dbraw/zinc/71/86/82/606718682.db2.gz QTDVBGFFSKIFOH-UHFFFAOYSA-N -1 3 364.390 2.156 20 50 FEGDHM O=C(NNC(=O)c1ccc2sccc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277574 606718684 /nfs/dbraw/zinc/71/86/84/606718684.db2.gz QTDVBGFFSKIFOH-UHFFFAOYSA-N -1 3 364.390 2.156 20 50 FEGDHM CC1=C(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCO1 ZINC000824853264 607908945 /nfs/dbraw/zinc/90/89/45/607908945.db2.gz ZWIXHLRUWMWEKY-UHFFFAOYSA-N -1 3 368.319 2.413 20 50 FEGDHM CC1=C(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCO1 ZINC000824853264 607908946 /nfs/dbraw/zinc/90/89/46/607908946.db2.gz ZWIXHLRUWMWEKY-UHFFFAOYSA-N -1 3 368.319 2.413 20 50 FEGDHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824072043 608179252 /nfs/dbraw/zinc/17/92/52/608179252.db2.gz RNWRJPUVAONKBM-JSGCOSHPSA-N -1 3 359.434 2.087 20 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O=C(NNc1ncccn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826449643 609369489 /nfs/dbraw/zinc/36/94/89/609369489.db2.gz CLBKMJTZIBEVOV-UHFFFAOYSA-N -1 3 374.364 2.206 20 50 FEGDHM C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824867316 609551459 /nfs/dbraw/zinc/55/14/59/609551459.db2.gz PCNDFIPLWHZEHV-RISCZKNCSA-N -1 3 356.430 2.090 20 50 FEGDHM C[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824867316 609551461 /nfs/dbraw/zinc/55/14/61/609551461.db2.gz PCNDFIPLWHZEHV-RISCZKNCSA-N -1 3 356.430 2.090 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000826446759 607345152 /nfs/dbraw/zinc/34/51/52/607345152.db2.gz XFLNVGBDWVPIET-UHFFFAOYSA-N -1 3 364.344 2.153 20 50 FEGDHM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825875490 607347871 /nfs/dbraw/zinc/34/78/71/607347871.db2.gz RAKFZIDHLNIOOV-IRXDYDNUSA-N -1 3 363.425 2.180 20 50 FEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000826447161 607354753 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FEGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(Cl)cc1 ZINC000824746105 607464170 /nfs/dbraw/zinc/46/41/70/607464170.db2.gz VKTZMBLYGPSDPH-SNVBAGLBSA-N -1 3 358.789 2.431 20 50 FEGDHM CC[C@H](Oc1ccccc1F)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825159157 607715170 /nfs/dbraw/zinc/71/51/70/607715170.db2.gz KEXDUQWJPJECSR-AWEZNQCLSA-N -1 3 356.361 2.307 20 50 FEGDHM CC[C@H](Oc1ccccc1F)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825159157 607715172 /nfs/dbraw/zinc/71/51/72/607715172.db2.gz KEXDUQWJPJECSR-AWEZNQCLSA-N -1 3 356.361 2.307 20 50 FEGDHM CSc1ccc(O[C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826231157 607715546 /nfs/dbraw/zinc/71/55/46/607715546.db2.gz ZQUIOYAMYHCUKP-LLVKDONJSA-N -1 3 370.438 2.499 20 50 FEGDHM CSc1ccc(O[C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826231157 607715552 /nfs/dbraw/zinc/71/55/52/607715552.db2.gz ZQUIOYAMYHCUKP-LLVKDONJSA-N -1 3 370.438 2.499 20 50 FEGDHM COc1cccc(C(C)=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826214577 607720486 /nfs/dbraw/zinc/72/04/86/607720486.db2.gz PYVMDOHNNBFMII-XFXZXTDPSA-N -1 3 350.382 2.422 20 50 FEGDHM COc1cccc(C(C)=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826214577 607720489 /nfs/dbraw/zinc/72/04/89/607720489.db2.gz PYVMDOHNNBFMII-XFXZXTDPSA-N -1 3 350.382 2.422 20 50 FEGDHM O=C(Cc1c[nH]c2ccc(F)cc12)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421292 607722945 /nfs/dbraw/zinc/72/29/45/607722945.db2.gz AMSCSTNSQUUSGZ-UHFFFAOYSA-N -1 3 351.345 2.173 20 50 FEGDHM O=C(Cc1c[nH]c2ccc(F)cc12)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421292 607722946 /nfs/dbraw/zinc/72/29/46/607722946.db2.gz AMSCSTNSQUUSGZ-UHFFFAOYSA-N -1 3 351.345 2.173 20 50 FEGDHM O=C(Cc1ccc(OC(F)F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826422616 607726620 /nfs/dbraw/zinc/72/66/20/607726620.db2.gz GDKFYFKLEAVNPX-UHFFFAOYSA-N -1 3 360.324 2.154 20 50 FEGDHM O=C(Cc1ccc(OC(F)F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826422616 607726622 /nfs/dbraw/zinc/72/66/22/607726622.db2.gz GDKFYFKLEAVNPX-UHFFFAOYSA-N -1 3 360.324 2.154 20 50 FEGDHM COc1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000826221593 607729618 /nfs/dbraw/zinc/72/96/18/607729618.db2.gz MBUYROWAWGDPCQ-UHFFFAOYSA-N -1 3 361.365 2.180 20 50 FEGDHM COc1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000826221593 607729621 /nfs/dbraw/zinc/72/96/21/607729621.db2.gz MBUYROWAWGDPCQ-UHFFFAOYSA-N -1 3 361.365 2.180 20 50 FEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000826447948 607730842 /nfs/dbraw/zinc/73/08/42/607730842.db2.gz BVDNKPCFPQAHDV-UHFFFAOYSA-N -1 3 365.328 2.017 20 50 FEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000826447948 607730844 /nfs/dbraw/zinc/73/08/44/607730844.db2.gz BVDNKPCFPQAHDV-UHFFFAOYSA-N -1 3 365.328 2.017 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1cc(-c2ccccc2)on1 ZINC000826444396 607886283 /nfs/dbraw/zinc/88/62/83/607886283.db2.gz DTTQDSLYHSHOJE-UHFFFAOYSA-N -1 3 359.349 2.286 20 50 FEGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1cc(-c2ccccc2)on1 ZINC000826444396 607886284 /nfs/dbraw/zinc/88/62/84/607886284.db2.gz DTTQDSLYHSHOJE-UHFFFAOYSA-N -1 3 359.349 2.286 20 50 FEGDHM O=C(NN=CCCCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444316 607888888 /nfs/dbraw/zinc/88/88/88/607888888.db2.gz ASQVJCODTPXVAM-UHFFFAOYSA-N -1 3 350.382 2.442 20 50 FEGDHM O=C(NN=CCCCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444316 607888889 /nfs/dbraw/zinc/88/88/89/607888889.db2.gz ASQVJCODTPXVAM-UHFFFAOYSA-N -1 3 350.382 2.442 20 50 FEGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825687551 607909284 /nfs/dbraw/zinc/90/92/84/607909284.db2.gz JDGQYBULDTYWBU-UHFFFAOYSA-N -1 3 354.418 2.039 20 50 FEGDHM N#CC(=Cc1ccc(-n2cncn2)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379140 608215481 /nfs/dbraw/zinc/21/54/81/608215481.db2.gz JZZKJIGZIXTVGZ-PXNMLYILSA-N -1 3 368.360 2.237 20 50 FEGDHM N#CC(=Cc1ccc(-n2cncn2)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379140 608215482 /nfs/dbraw/zinc/21/54/82/608215482.db2.gz JZZKJIGZIXTVGZ-PXNMLYILSA-N -1 3 368.360 2.237 20 50 FEGDHM CC(C)CCn1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000824249684 608816006 /nfs/dbraw/zinc/81/60/06/608816006.db2.gz RNQZZIVCUQSUDX-UHFFFAOYSA-N -1 3 355.406 2.258 20 50 FEGDHM CC(C)CCn1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000824249684 608816007 /nfs/dbraw/zinc/81/60/07/608816007.db2.gz RNQZZIVCUQSUDX-UHFFFAOYSA-N -1 3 355.406 2.258 20 50 FEGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NN=c1ccc2ccccc2[nH]1 ZINC000826408838 609262821 /nfs/dbraw/zinc/26/28/21/609262821.db2.gz XDWXAZJAAPZZIC-UHFFFAOYSA-N -1 3 359.393 2.491 20 50 FEGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NN=c1ccc2ccccc2[nH]1 ZINC000826408838 609262823 /nfs/dbraw/zinc/26/28/23/609262823.db2.gz XDWXAZJAAPZZIC-UHFFFAOYSA-N -1 3 359.393 2.491 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N2CC3(C2)CCCCC3)cc(-c2nnn[n-]2)n1C ZINC000826235797 609267205 /nfs/dbraw/zinc/26/72/05/609267205.db2.gz RIUBCKKNSVTYNP-NVNXTCNLSA-N -1 3 365.441 2.213 20 50 FEGDHM Cc1c(C=C(C#N)C(=O)N2CC3(C2)CCCCC3)cc(-c2nn[n-]n2)n1C ZINC000826235797 609267206 /nfs/dbraw/zinc/26/72/06/609267206.db2.gz RIUBCKKNSVTYNP-NVNXTCNLSA-N -1 3 365.441 2.213 20 50 FEGDHM CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948742 609275381 /nfs/dbraw/zinc/27/53/81/609275381.db2.gz VURKPIWIZJEPCC-UHFFFAOYSA-N -1 3 368.372 2.233 20 50 FEGDHM CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948742 609275382 /nfs/dbraw/zinc/27/53/82/609275382.db2.gz VURKPIWIZJEPCC-UHFFFAOYSA-N -1 3 368.372 2.233 20 50 FEGDHM O=C(NN=C1CCOc2c(F)ccc(F)c21)c1cccc(-c2nnn[n-]2)c1 ZINC000826444787 609470429 /nfs/dbraw/zinc/47/04/29/609470429.db2.gz UEWALADPMAJSHL-UHFFFAOYSA-N -1 3 370.319 2.062 20 50 FEGDHM O=C(NN=C1CCOc2c(F)ccc(F)c21)c1cccc(-c2nn[n-]n2)c1 ZINC000826444787 609470431 /nfs/dbraw/zinc/47/04/31/609470431.db2.gz UEWALADPMAJSHL-UHFFFAOYSA-N -1 3 370.319 2.062 20 50 FEGDHM