smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000826447465 607334741 /nfs/dbraw/zinc/33/47/41/607334741.db2.gz GREJDKZNANFHED-UHFFFAOYSA-N -1 3 382.399 2.197 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000826447465 607334742 /nfs/dbraw/zinc/33/47/42/607334742.db2.gz GREJDKZNANFHED-UHFFFAOYSA-N -1 3 382.399 2.197 20 50 GEGDHM Cc1ccc(C)n1-c1nc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826285262 607340516 /nfs/dbraw/zinc/34/05/16/607340516.db2.gz UDZXOZQRCLDPLZ-UHFFFAOYSA-N -1 3 394.464 2.417 20 50 GEGDHM Cc1cc(C)n(Cc2cccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000826264782 607340523 /nfs/dbraw/zinc/34/05/23/607340523.db2.gz AAWOJBNUBUVTAL-UHFFFAOYSA-N -1 3 388.435 2.485 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sc(N2CCCC2)nc1Cl ZINC000826447872 607346248 /nfs/dbraw/zinc/34/62/48/607346248.db2.gz ZQWFCGQGZKBUCS-UHFFFAOYSA-N -1 3 390.860 2.334 20 50 GEGDHM CC(=O)c1ccc(OCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824029103 607352119 /nfs/dbraw/zinc/35/21/19/607352119.db2.gz DBICGZPANRICMZ-UHFFFAOYSA-N -1 3 380.408 2.372 20 50 GEGDHM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825042860 607355021 /nfs/dbraw/zinc/35/50/21/607355021.db2.gz APJMPGZMQQAFNF-SFHVURJKSA-N -1 3 389.460 2.251 20 50 GEGDHM O=C(COCc1nc2ccccc2s1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826416564 607354348 /nfs/dbraw/zinc/35/43/48/607354348.db2.gz FNDODXYJSHYWBK-UHFFFAOYSA-N -1 3 381.421 2.136 20 50 GEGDHM CC(C)(C)OC(=O)NC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000824109812 607354514 /nfs/dbraw/zinc/35/45/14/607354514.db2.gz WELZCCNUFNBXJM-UHFFFAOYSA-N -1 3 387.444 2.147 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC2CCOCC2)cc1 ZINC000826447186 607357173 /nfs/dbraw/zinc/35/71/73/607357173.db2.gz RXOMYCNMRGAUIC-UHFFFAOYSA-N -1 3 380.408 2.181 20 50 GEGDHM CCn1cc(Br)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825799468 607356506 /nfs/dbraw/zinc/35/65/06/607356506.db2.gz LQIOEMTUEJWZCU-UHFFFAOYSA-N -1 3 376.218 2.208 20 50 GEGDHM Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826268533 607393062 /nfs/dbraw/zinc/39/30/62/607393062.db2.gz BPUIVVIBWBTYNV-UHFFFAOYSA-N -1 3 389.778 2.049 20 50 GEGDHM Cc1cc(F)ccc1NNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826268533 607393064 /nfs/dbraw/zinc/39/30/64/607393064.db2.gz BPUIVVIBWBTYNV-UHFFFAOYSA-N -1 3 389.778 2.049 20 50 GEGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(OC(F)F)cc1 ZINC000824746987 607395969 /nfs/dbraw/zinc/39/59/69/607395969.db2.gz XYBRIEPIURLXOH-SNVBAGLBSA-N -1 3 390.350 2.379 20 50 GEGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(OC(F)F)cc1 ZINC000824746987 607395971 /nfs/dbraw/zinc/39/59/71/607395971.db2.gz XYBRIEPIURLXOH-SNVBAGLBSA-N -1 3 390.350 2.379 20 50 GEGDHM CCCCn1ncc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)c1C ZINC000825301900 607511585 /nfs/dbraw/zinc/51/15/85/607511585.db2.gz SCYDGGDIODERJY-NVNXTCNLSA-N -1 3 393.455 2.364 20 50 GEGDHM CCCCn1ncc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1C ZINC000825301900 607511586 /nfs/dbraw/zinc/51/15/86/607511586.db2.gz SCYDGGDIODERJY-NVNXTCNLSA-N -1 3 393.455 2.364 20 50 GEGDHM CCC(CC)[C@@H](CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000825095418 607633574 /nfs/dbraw/zinc/63/35/74/607633574.db2.gz GGHHHRHIGIHGJO-GANRHZMWSA-N -1 3 399.499 2.378 20 50 GEGDHM CCC(CC)[C@@H](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000825095418 607633576 /nfs/dbraw/zinc/63/35/76/607633576.db2.gz GGHHHRHIGIHGJO-GANRHZMWSA-N -1 3 399.499 2.378 20 50 GEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)Cc1cccc2ccccc21 ZINC000826249607 607653745 /nfs/dbraw/zinc/65/37/45/607653745.db2.gz KYNFHZVEFRIAOB-UHFFFAOYSA-N -1 3 386.415 2.332 20 50 GEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)Cc1cccc2ccccc21 ZINC000826249607 607653746 /nfs/dbraw/zinc/65/37/46/607653746.db2.gz KYNFHZVEFRIAOB-UHFFFAOYSA-N -1 3 386.415 2.332 20 50 GEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000826249731 607686466 /nfs/dbraw/zinc/68/64/66/607686466.db2.gz RKFJPXHZHILAIK-UHFFFAOYSA-N -1 3 390.325 2.269 20 50 GEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1 ZINC000826249731 607686469 /nfs/dbraw/zinc/68/64/69/607686469.db2.gz RKFJPXHZHILAIK-UHFFFAOYSA-N -1 3 390.325 2.269 20 50 GEGDHM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825059867 607715245 /nfs/dbraw/zinc/71/52/45/607715245.db2.gz LMFDVVXGCFLUPQ-GUYCJALGSA-N -1 3 393.451 2.155 20 50 GEGDHM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825059867 607715247 /nfs/dbraw/zinc/71/52/47/607715247.db2.gz LMFDVVXGCFLUPQ-GUYCJALGSA-N -1 3 393.451 2.155 20 50 GEGDHM O=C(Nc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1)c1ccco1 ZINC000826448937 607716634 /nfs/dbraw/zinc/71/66/34/607716634.db2.gz UAKROXXZWIWXIM-UHFFFAOYSA-N -1 3 389.375 2.469 20 50 GEGDHM O=C(Nc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1)c1ccco1 ZINC000826448937 607716636 /nfs/dbraw/zinc/71/66/36/607716636.db2.gz UAKROXXZWIWXIM-UHFFFAOYSA-N -1 3 389.375 2.469 20 50 GEGDHM CN(C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000825851988 607720458 /nfs/dbraw/zinc/72/04/58/607720458.db2.gz ZOSQTTMDYXLACY-OAHLLOKOSA-N -1 3 389.822 2.405 20 50 GEGDHM CN(C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000825851988 607720459 /nfs/dbraw/zinc/72/04/59/607720459.db2.gz ZOSQTTMDYXLACY-OAHLLOKOSA-N -1 3 389.822 2.405 20 50 GEGDHM CC[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825083043 607724784 /nfs/dbraw/zinc/72/47/84/607724784.db2.gz WXHBYEMWFOJONJ-ZDUSSCGKSA-N -1 3 394.435 2.220 20 50 GEGDHM CC[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825083043 607724786 /nfs/dbraw/zinc/72/47/86/607724786.db2.gz WXHBYEMWFOJONJ-ZDUSSCGKSA-N -1 3 394.435 2.220 20 50 GEGDHM CC(C)Cc1ccc(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280366 607725009 /nfs/dbraw/zinc/72/50/09/607725009.db2.gz KURMZAAHBSIWEX-UHFFFAOYSA-N -1 3 392.463 2.459 20 50 GEGDHM CC(C)Cc1ccc(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280366 607725010 /nfs/dbraw/zinc/72/50/10/607725010.db2.gz KURMZAAHBSIWEX-UHFFFAOYSA-N -1 3 392.463 2.459 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000826449564 607727233 /nfs/dbraw/zinc/72/72/33/607727233.db2.gz YWTJGBGFQFTIBN-UHFFFAOYSA-N -1 3 380.799 2.463 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000826449564 607727235 /nfs/dbraw/zinc/72/72/35/607727235.db2.gz YWTJGBGFQFTIBN-UHFFFAOYSA-N -1 3 380.799 2.463 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1CSc1nc[nH]n1 ZINC000826448865 607732350 /nfs/dbraw/zinc/73/23/50/607732350.db2.gz PLTQRXIRBUZOAY-UHFFFAOYSA-N -1 3 393.436 2.034 20 50 GEGDHM CCOC(=O)C1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000825492438 607756104 /nfs/dbraw/zinc/75/61/04/607756104.db2.gz FRPADVCUFRVEHJ-UHFFFAOYSA-N -1 3 398.345 2.062 20 50 GEGDHM CCOC(=O)C1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC000825492438 607756105 /nfs/dbraw/zinc/75/61/05/607756105.db2.gz FRPADVCUFRVEHJ-UHFFFAOYSA-N -1 3 398.345 2.062 20 50 GEGDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825846273 607884370 /nfs/dbraw/zinc/88/43/70/607884370.db2.gz UIWOKWLQYJAFOH-RVDMUPIBSA-N -1 3 387.403 2.114 20 50 GEGDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825846273 607884371 /nfs/dbraw/zinc/88/43/71/607884371.db2.gz UIWOKWLQYJAFOH-RVDMUPIBSA-N -1 3 387.403 2.114 20 50 GEGDHM CC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)c1c(C)noc1C ZINC000825133965 607957260 /nfs/dbraw/zinc/95/72/60/607957260.db2.gz QXJPFZGCBKFDMA-LULHVWEPSA-N -1 3 394.439 2.293 20 50 GEGDHM CC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)c1c(C)noc1C ZINC000825133965 607957261 /nfs/dbraw/zinc/95/72/61/607957261.db2.gz QXJPFZGCBKFDMA-LULHVWEPSA-N -1 3 394.439 2.293 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2ncc(C3CC3)o2)cc(-c2nnn[n-]2)n1C ZINC000826235275 608028404 /nfs/dbraw/zinc/02/84/04/608028404.db2.gz GYUDFWWJQDPMHG-ACAGNQJTSA-N -1 3 379.380 2.029 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2ncc(C3CC3)o2)cc(-c2nn[n-]n2)n1C ZINC000826235275 608028405 /nfs/dbraw/zinc/02/84/05/608028405.db2.gz GYUDFWWJQDPMHG-ACAGNQJTSA-N -1 3 379.380 2.029 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cnccc2C)cc(-c2nnn[n-]2)n1C ZINC000826315112 608201578 /nfs/dbraw/zinc/20/15/78/608201578.db2.gz YQDYRXCEPYTZEX-FKZYXTMDSA-N -1 3 376.424 2.001 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cnccc2C)cc(-c2nn[n-]n2)n1C ZINC000826315112 608201580 /nfs/dbraw/zinc/20/15/80/608201580.db2.gz YQDYRXCEPYTZEX-FKZYXTMDSA-N -1 3 376.424 2.001 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000826236133 608206545 /nfs/dbraw/zinc/20/65/45/608206545.db2.gz ZKOHVPCRPIXJCB-UVMALKNPSA-N -1 3 397.483 2.131 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000826236133 608206547 /nfs/dbraw/zinc/20/65/47/608206547.db2.gz ZKOHVPCRPIXJCB-UVMALKNPSA-N -1 3 397.483 2.131 20 50 GEGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)c1cccc2c1OCCO2 ZINC000826379361 608219445 /nfs/dbraw/zinc/21/94/45/608219445.db2.gz PWMLHGSLRATTIJ-JYRVWZFOSA-N -1 3 399.370 2.075 20 50 GEGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)c1cccc2c1OCCO2 ZINC000826379361 608219447 /nfs/dbraw/zinc/21/94/47/608219447.db2.gz PWMLHGSLRATTIJ-JYRVWZFOSA-N -1 3 399.370 2.075 20 50 GEGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000824158101 608236264 /nfs/dbraw/zinc/23/62/64/608236264.db2.gz QZSMEUGLAOYAFF-UHFFFAOYSA-N -1 3 385.472 2.417 20 50 GEGDHM CC(C)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000824158101 608236266 /nfs/dbraw/zinc/23/62/66/608236266.db2.gz QZSMEUGLAOYAFF-UHFFFAOYSA-N -1 3 385.472 2.417 20 50 GEGDHM COC[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000826151231 608360490 /nfs/dbraw/zinc/36/04/90/608360490.db2.gz WTPKGZOHYZTDQV-OAHLLOKOSA-N -1 3 389.366 2.159 20 50 GEGDHM COC[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000826151231 608360492 /nfs/dbraw/zinc/36/04/92/608360492.db2.gz WTPKGZOHYZTDQV-OAHLLOKOSA-N -1 3 389.366 2.159 20 50 GEGDHM Cn1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2cccs2)n1 ZINC000826359556 608752637 /nfs/dbraw/zinc/75/26/37/608752637.db2.gz KKKPAAHDEGUXNB-UHFFFAOYSA-N -1 3 378.421 2.093 20 50 GEGDHM Cn1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2cccs2)n1 ZINC000826359556 608752639 /nfs/dbraw/zinc/75/26/39/608752639.db2.gz KKKPAAHDEGUXNB-UHFFFAOYSA-N -1 3 378.421 2.093 20 50 GEGDHM CCNC(=O)N(C)N=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825470981 608753721 /nfs/dbraw/zinc/75/37/21/608753721.db2.gz KVVDZPOKWIKTAF-UHFFFAOYSA-N -1 3 379.424 2.441 20 50 GEGDHM CCNC(=O)N(C)N=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825470981 608753722 /nfs/dbraw/zinc/75/37/22/608753722.db2.gz KVVDZPOKWIKTAF-UHFFFAOYSA-N -1 3 379.424 2.441 20 50 GEGDHM CC(C)NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824305945 608806708 /nfs/dbraw/zinc/80/67/08/608806708.db2.gz XVXZMHOTILAFAZ-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM CC(C)NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824305945 608806712 /nfs/dbraw/zinc/80/67/12/608806712.db2.gz XVXZMHOTILAFAZ-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000826480446 608812581 /nfs/dbraw/zinc/81/25/81/608812581.db2.gz BQXLPMBYJFPPCE-UHFFFAOYSA-N -1 3 378.396 2.290 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000826480446 608812584 /nfs/dbraw/zinc/81/25/84/608812584.db2.gz BQXLPMBYJFPPCE-UHFFFAOYSA-N -1 3 378.396 2.290 20 50 GEGDHM C[C@H]1CN(c2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)CCO1 ZINC000824993631 608812736 /nfs/dbraw/zinc/81/27/36/608812736.db2.gz QZMXSEWIJBXHMN-ZDUSSCGKSA-N -1 3 394.439 2.240 20 50 GEGDHM C[C@H]1CN(c2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)CCO1 ZINC000824993631 608812738 /nfs/dbraw/zinc/81/27/38/608812738.db2.gz QZMXSEWIJBXHMN-ZDUSSCGKSA-N -1 3 394.439 2.240 20 50 GEGDHM Cc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1C(=O)N(C)C ZINC000826270123 608813611 /nfs/dbraw/zinc/81/36/11/608813611.db2.gz LYYXFTOVNLOUTA-UHFFFAOYSA-N -1 3 380.412 2.026 20 50 GEGDHM Cc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1C(=O)N(C)C ZINC000826270123 608813614 /nfs/dbraw/zinc/81/36/14/608813614.db2.gz LYYXFTOVNLOUTA-UHFFFAOYSA-N -1 3 380.412 2.026 20 50 GEGDHM CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825820342 608882121 /nfs/dbraw/zinc/88/21/21/608882121.db2.gz AUODXPNGJZLEFH-UHFFFAOYSA-N -1 3 387.444 2.228 20 50 GEGDHM CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825820342 608882122 /nfs/dbraw/zinc/88/21/22/608882122.db2.gz AUODXPNGJZLEFH-UHFFFAOYSA-N -1 3 387.444 2.228 20 50 GEGDHM CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953631 609159266 /nfs/dbraw/zinc/15/92/66/609159266.db2.gz JNOWGGBCZQRHPR-UHFFFAOYSA-N -1 3 392.354 2.210 20 50 GEGDHM CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953631 609159268 /nfs/dbraw/zinc/15/92/68/609159268.db2.gz JNOWGGBCZQRHPR-UHFFFAOYSA-N -1 3 392.354 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ZINC000826446455 607342110 /nfs/dbraw/zinc/34/21/10/607342110.db2.gz MISBQKOLBMWPIY-UHFFFAOYSA-N -1 3 382.334 2.292 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000826447283 607342701 /nfs/dbraw/zinc/34/27/01/607342701.db2.gz YBSDSKVFTAGRPS-UHFFFAOYSA-N -1 3 387.407 2.286 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000826446197 607344580 /nfs/dbraw/zinc/34/45/80/607344580.db2.gz CTHACXAYSBWXOB-AWEZNQCLSA-N -1 3 397.464 2.066 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000826447612 607345211 /nfs/dbraw/zinc/34/52/11/607345211.db2.gz NURPQTHJZKQANB-UHFFFAOYSA-N -1 3 396.411 2.237 20 50 GEGDHM Cc1cc(-n2c(C)cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000826256279 607345608 /nfs/dbraw/zinc/34/56/08/607345608.db2.gz BDSXMJVVYCBBHM-UHFFFAOYSA-N -1 3 378.396 2.328 20 50 GEGDHM O=C(Cc1cc(F)ccc1Br)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421472 607348320 /nfs/dbraw/zinc/34/83/20/607348320.db2.gz 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O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(CN2CCCCC2=O)cc1 ZINC000826446974 607355895 /nfs/dbraw/zinc/35/58/95/607355895.db2.gz HWWVIGXDQYMEAD-UHFFFAOYSA-N -1 3 391.435 2.136 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2Cl)c1 ZINC000826447770 607354611 /nfs/dbraw/zinc/35/46/11/607354611.db2.gz VHJGMSYPEQTNSD-UHFFFAOYSA-N -1 3 380.799 2.463 20 50 GEGDHM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824104829 607354710 /nfs/dbraw/zinc/35/47/10/607354710.db2.gz YWPJUNUQVNSLPI-AWEZNQCLSA-N -1 3 387.444 2.099 20 50 GEGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1cccc2c1CCCC2 ZINC000826174686 607392536 /nfs/dbraw/zinc/39/25/36/607392536.db2.gz GCPMGEUPDOWFIF-UHFFFAOYSA-N -1 3 394.435 2.276 20 50 GEGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1cccc2c1CCCC2 ZINC000826174686 607392538 /nfs/dbraw/zinc/39/25/38/607392538.db2.gz GCPMGEUPDOWFIF-UHFFFAOYSA-N -1 3 394.435 2.276 20 50 GEGDHM Cc1c(NNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826243174 607395819 /nfs/dbraw/zinc/39/58/19/607395819.db2.gz XPDGYMIRTNJTGK-UHFFFAOYSA-N -1 3 399.436 2.460 20 50 GEGDHM Cc1c(NNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826243174 607395820 /nfs/dbraw/zinc/39/58/20/607395820.db2.gz XPDGYMIRTNJTGK-UHFFFAOYSA-N -1 3 399.436 2.460 20 50 GEGDHM COc1ccc(CNC(=O)NNc2ccc(Cl)c(F)c2)cc1-c1nnn[n-]1 ZINC000826200237 607625297 /nfs/dbraw/zinc/62/52/97/607625297.db2.gz GBNPSEIWYPAPSY-UHFFFAOYSA-N -1 3 391.794 2.494 20 50 GEGDHM COc1ccc(CNC(=O)NNc2ccc(Cl)c(F)c2)cc1-c1nn[n-]n1 ZINC000826200237 607625298 /nfs/dbraw/zinc/62/52/98/607625298.db2.gz GBNPSEIWYPAPSY-UHFFFAOYSA-N -1 3 391.794 2.494 20 50 GEGDHM CC(C)(CO)[C@H](CNC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824163120 607628135 /nfs/dbraw/zinc/62/81/35/607628135.db2.gz YQTDESRWXPZWES-QGZVFWFLSA-N -1 3 395.467 2.295 20 50 GEGDHM CC(C)(CO)[C@H](CNC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824163120 607628136 /nfs/dbraw/zinc/62/81/36/607628136.db2.gz YQTDESRWXPZWES-QGZVFWFLSA-N -1 3 395.467 2.295 20 50 GEGDHM Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C ZINC000826248904 607648473 /nfs/dbraw/zinc/64/84/73/607648473.db2.gz BMCBAPPKQCLLBA-CQSZACIVSA-N -1 3 394.435 2.020 20 50 GEGDHM Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000826248904 607648476 /nfs/dbraw/zinc/64/84/76/607648476.db2.gz BMCBAPPKQCLLBA-CQSZACIVSA-N -1 3 394.435 2.020 20 50 GEGDHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824900036 607713521 /nfs/dbraw/zinc/71/35/21/607713521.db2.gz RWIWUFXMKCMSMA-MEDUHNTESA-N -1 3 377.408 2.218 20 50 GEGDHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824900036 607713523 /nfs/dbraw/zinc/71/35/23/607713523.db2.gz RWIWUFXMKCMSMA-MEDUHNTESA-N -1 3 377.408 2.218 20 50 GEGDHM CC(C)c1n[nH]c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1Br ZINC000824352442 607714768 /nfs/dbraw/zinc/71/47/68/607714768.db2.gz DGQYBSVSSURSNI-UHFFFAOYSA-N -1 3 391.233 2.233 20 50 GEGDHM CC(C)c1n[nH]c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1Br ZINC000824352442 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382.399 2.197 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000826447525 607724511 /nfs/dbraw/zinc/72/45/11/607724511.db2.gz JVQQZNWGPOVBHB-UHFFFAOYSA-N -1 3 382.399 2.197 20 50 GEGDHM CCCNC(=O)Nc1ccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825332879 607725925 /nfs/dbraw/zinc/72/59/25/607725925.db2.gz NZGGSZURNREJMO-UHFFFAOYSA-N -1 3 394.439 2.084 20 50 GEGDHM CCCNC(=O)Nc1ccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825332879 607725927 /nfs/dbraw/zinc/72/59/27/607725927.db2.gz NZGGSZURNREJMO-UHFFFAOYSA-N -1 3 394.439 2.084 20 50 GEGDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824109795 607728889 /nfs/dbraw/zinc/72/88/89/607728889.db2.gz VUDWOJCRJSXFRE-QWHCGFSZSA-N -1 3 387.444 2.003 20 50 GEGDHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824109795 607728891 /nfs/dbraw/zinc/72/88/91/607728891.db2.gz VUDWOJCRJSXFRE-QWHCGFSZSA-N -1 3 387.444 2.003 20 50 GEGDHM CC(C)(C)O[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119691 607817433 /nfs/dbraw/zinc/81/74/33/607817433.db2.gz OIGAJKYJDLZVPR-INIZCTEOSA-N -1 3 394.435 2.184 20 50 GEGDHM CC(C)(C)O[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119691 607817434 /nfs/dbraw/zinc/81/74/34/607817434.db2.gz OIGAJKYJDLZVPR-INIZCTEOSA-N -1 3 394.435 2.184 20 50 GEGDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824459093 607889363 /nfs/dbraw/zinc/88/93/63/607889363.db2.gz ZYNAMTJEDPZMIE-NSHDSACASA-N -1 3 384.827 2.160 20 50 GEGDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824459093 607889364 /nfs/dbraw/zinc/88/93/64/607889364.db2.gz ZYNAMTJEDPZMIE-NSHDSACASA-N -1 3 384.827 2.160 20 50 GEGDHM CC(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824184069 607893692 /nfs/dbraw/zinc/89/36/92/607893692.db2.gz DOJYEJWUDMWRIQ-INIZCTEOSA-N -1 3 382.399 2.207 20 50 GEGDHM CC(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824184069 607893693 /nfs/dbraw/zinc/89/36/93/607893693.db2.gz DOJYEJWUDMWRIQ-INIZCTEOSA-N -1 3 382.399 2.207 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NCCCSCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235611 607916791 /nfs/dbraw/zinc/91/67/91/607916791.db2.gz NDTGLOKDACKSHY-OVCLIPMQSA-N -1 3 387.513 2.316 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NCCCSCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235611 607916792 /nfs/dbraw/zinc/91/67/92/607916792.db2.gz NDTGLOKDACKSHY-OVCLIPMQSA-N -1 3 387.513 2.316 20 50 GEGDHM Cc1oc2ccccc2c1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826342503 607965245 /nfs/dbraw/zinc/96/52/45/607965245.db2.gz NKXQEBMNASTRSW-UHFFFAOYSA-N -1 3 376.376 2.450 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000826447425 607995933 /nfs/dbraw/zinc/99/59/33/607995933.db2.gz FLLYXXNVSQSVLH-GOSISDBHSA-N -1 3 394.435 2.247 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000826447425 607995934 /nfs/dbraw/zinc/99/59/34/607995934.db2.gz FLLYXXNVSQSVLH-GOSISDBHSA-N -1 3 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608170075 /nfs/dbraw/zinc/17/00/75/608170075.db2.gz JPNNQENNYIYNHB-DTWKUNHWSA-N -1 3 382.346 2.334 20 50 GEGDHM C[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1=O ZINC000824865805 608170078 /nfs/dbraw/zinc/17/00/78/608170078.db2.gz JPNNQENNYIYNHB-DTWKUNHWSA-N -1 3 382.346 2.334 20 50 GEGDHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826189323 608273054 /nfs/dbraw/zinc/27/30/54/608273054.db2.gz SVXAMYVXMGICQG-SJKOYZFVSA-N -1 3 397.439 2.278 20 50 GEGDHM COc1ccc([C@H](OC)[C@@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826189323 608273056 /nfs/dbraw/zinc/27/30/56/608273056.db2.gz SVXAMYVXMGICQG-SJKOYZFVSA-N -1 3 397.439 2.278 20 50 GEGDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824109646 608288977 /nfs/dbraw/zinc/28/89/77/608288977.db2.gz UUUYXMOPGIWXGV-CYBMUJFWSA-N -1 3 385.428 2.030 20 50 GEGDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824109646 608288978 /nfs/dbraw/zinc/28/89/78/608288978.db2.gz 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O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(CN2CCCC2=O)c1 ZINC000826448029 608805268 /nfs/dbraw/zinc/80/52/68/608805268.db2.gz FMGRLPZIDZYCRA-UHFFFAOYSA-N -1 3 392.423 2.138 20 50 GEGDHM CCCNC(=O)c1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825332624 608806748 /nfs/dbraw/zinc/80/67/48/608806748.db2.gz KNKHUKRGMLEWRF-UHFFFAOYSA-N -1 3 380.412 2.155 20 50 GEGDHM CCCNC(=O)c1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825332624 608806751 /nfs/dbraw/zinc/80/67/51/608806751.db2.gz KNKHUKRGMLEWRF-UHFFFAOYSA-N -1 3 380.412 2.155 20 50 GEGDHM CC(=O)Nc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000823999680 608807455 /nfs/dbraw/zinc/80/74/55/608807455.db2.gz HBKDHWHSBQYFGS-UHFFFAOYSA-N -1 3 388.338 2.252 20 50 GEGDHM CC(=O)Nc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000823999680 608807456 /nfs/dbraw/zinc/80/74/56/608807456.db2.gz HBKDHWHSBQYFGS-UHFFFAOYSA-N -1 3 388.338 2.252 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cnn(-c2ccccc2F)c1 ZINC000826448309 608818621 /nfs/dbraw/zinc/81/86/21/608818621.db2.gz QIYSTLPLSPTAJQ-UHFFFAOYSA-N -1 3 379.359 2.340 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cnn(-c2ccccc2F)c1 ZINC000826448309 608818624 /nfs/dbraw/zinc/81/86/24/608818624.db2.gz QIYSTLPLSPTAJQ-UHFFFAOYSA-N -1 3 379.359 2.340 20 50 GEGDHM Cc1cc(C(=O)NNc2c(F)cccc2F)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260057 609157039 /nfs/dbraw/zinc/15/70/39/609157039.db2.gz TXNDMBINMOVKBD-UHFFFAOYSA-N -1 3 396.361 2.396 20 50 GEGDHM Cc1cc(C(=O)NNc2c(F)cccc2F)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260057 609157040 /nfs/dbraw/zinc/15/70/40/609157040.db2.gz TXNDMBINMOVKBD-UHFFFAOYSA-N -1 3 396.361 2.396 20 50 GEGDHM CC(=NNC(=O)c1c(C)nc2ccccn21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948566 609157153 /nfs/dbraw/zinc/15/71/53/609157153.db2.gz SIGILMHJLFIOAL-UHFFFAOYSA-N -1 3 378.371 2.116 20 50 GEGDHM CC(=NNC(=O)c1c(C)nc2ccccn21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948566 609157154 /nfs/dbraw/zinc/15/71/54/609157154.db2.gz SIGILMHJLFIOAL-UHFFFAOYSA-N -1 3 378.371 2.116 20 50 GEGDHM COc1cccc(NNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)n1 ZINC000826216921 609159780 /nfs/dbraw/zinc/15/97/80/609159780.db2.gz RWUIDTJZJDBBAW-UHFFFAOYSA-N -1 3 384.400 2.206 20 50 GEGDHM COc1cccc(NNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)n1 ZINC000826216921 609159782 /nfs/dbraw/zinc/15/97/82/609159782.db2.gz RWUIDTJZJDBBAW-UHFFFAOYSA-N -1 3 384.400 2.206 20 50 GEGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000824744699 609262555 /nfs/dbraw/zinc/26/25/55/609262555.db2.gz DTHRXMMYMKWGRP-LBPRGKRZSA-N -1 3 375.392 2.326 20 50 GEGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000824744699 609262557 /nfs/dbraw/zinc/26/25/57/609262557.db2.gz DTHRXMMYMKWGRP-LBPRGKRZSA-N -1 3 375.392 2.326 20 50 GEGDHM CON(Cc1ccccc1)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826166603 609263985 /nfs/dbraw/zinc/26/39/85/609263985.db2.gz SNHZAQOQXZCPSG-CXUHLZMHSA-N -1 3 377.408 2.011 20 50 GEGDHM CON(Cc1ccccc1)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826166603 609263986 /nfs/dbraw/zinc/26/39/86/609263986.db2.gz SNHZAQOQXZCPSG-CXUHLZMHSA-N -1 3 377.408 2.011 20 50 GEGDHM CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953642 609275372 /nfs/dbraw/zinc/27/53/72/609275372.db2.gz JYAYMXQIFSBGDX-UHFFFAOYSA-N -1 3 392.354 2.210 20 50 GEGDHM CC(=NNC(=O)c1nnc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953642 609275373 /nfs/dbraw/zinc/27/53/73/609275373.db2.gz JYAYMXQIFSBGDX-UHFFFAOYSA-N -1 3 392.354 2.210 20 50 GEGDHM CC(C)NC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824304881 609377988 /nfs/dbraw/zinc/37/79/88/609377988.db2.gz HTUZJOLGVXMINO-UHFFFAOYSA-N -1 3 381.396 2.011 20 50 GEGDHM CC(C)NC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824304881 609377990 /nfs/dbraw/zinc/37/79/90/609377990.db2.gz HTUZJOLGVXMINO-UHFFFAOYSA-N -1 3 381.396 2.011 20 50 GEGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000823953573 609411986 /nfs/dbraw/zinc/41/19/86/609411986.db2.gz HQJLUSSFNKMILZ-UHFFFAOYSA-N -1 3 399.461 2.126 20 50 GEGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)SCC(=O)N2 ZINC000823953573 609411987 /nfs/dbraw/zinc/41/19/87/609411987.db2.gz HQJLUSSFNKMILZ-UHFFFAOYSA-N -1 3 399.461 2.126 20 50 GEGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NNc1cccc(F)c1 ZINC000826176053 607338730 /nfs/dbraw/zinc/33/87/30/607338730.db2.gz YNEFHTCDBIHLHC-UHFFFAOYSA-N -1 3 386.387 2.317 20 50 GEGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNc1cccc(F)c1 ZINC000826176053 607338732 /nfs/dbraw/zinc/33/87/32/607338732.db2.gz YNEFHTCDBIHLHC-UHFFFAOYSA-N -1 3 386.387 2.317 20 50 GEGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNc1ccccc1Br ZINC000826413275 607339550 /nfs/dbraw/zinc/33/95/50/607339550.db2.gz YQQBRJVYOXATGC-UHFFFAOYSA-N -1 3 388.229 2.184 20 50 GEGDHM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824899912 607340671 /nfs/dbraw/zinc/34/06/71/607340671.db2.gz QEBOVUQSINYCHB-ZBEGNZNMSA-N -1 3 377.408 2.218 20 50 GEGDHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824207122 607342752 /nfs/dbraw/zinc/34/27/52/607342752.db2.gz QCFZTSVTKREQQV-KRWDZBQOSA-N -1 3 377.408 2.285 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000826446134 607344773 /nfs/dbraw/zinc/34/47/73/607344773.db2.gz BCWITOLJPHYLRJ-HNNXBMFYSA-N -1 3 397.826 2.016 20 50 GEGDHM CN(C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000825851979 607345470 /nfs/dbraw/zinc/34/54/70/607345470.db2.gz ZMGQLPJHRATFRK-OAHLLOKOSA-N -1 3 389.822 2.405 20 50 GEGDHM CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824005343 607346482 /nfs/dbraw/zinc/34/64/82/607346482.db2.gz OGUHSGCMSJQHNP-LLVKDONJSA-N -1 3 397.464 2.449 20 50 GEGDHM O=C(Cc1ccc(Br)s1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826422531 607349730 /nfs/dbraw/zinc/34/97/30/607349730.db2.gz CILBVQOMDJVWRY-UHFFFAOYSA-N -1 3 379.243 2.377 20 50 GEGDHM O=C(COc1ccccc1C(F)(F)F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826419088 607351875 /nfs/dbraw/zinc/35/18/75/607351875.db2.gz IUJSDUPQWOVKGU-UHFFFAOYSA-N -1 3 378.314 2.408 20 50 GEGDHM Cc1nn(Cc2ccccc2)c(C)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826334707 607353119 /nfs/dbraw/zinc/35/31/19/607353119.db2.gz GGDRFJLCBIJFEG-UHFFFAOYSA-N -1 3 388.435 2.485 20 50 GEGDHM Cc1c(NNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826243046 607396194 /nfs/dbraw/zinc/39/61/94/607396194.db2.gz RMSOALCPIKNLLO-UHFFFAOYSA-N -1 3 385.409 2.319 20 50 GEGDHM Cc1c(NNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826243046 607396196 /nfs/dbraw/zinc/39/61/96/607396196.db2.gz RMSOALCPIKNLLO-UHFFFAOYSA-N -1 3 385.409 2.319 20 50 GEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cccc(-c2ccccn2)c1 ZINC000826419081 607652403 /nfs/dbraw/zinc/65/24/03/607652403.db2.gz IMTZNGQUCBCNKR-UHFFFAOYSA-N -1 3 399.414 2.458 20 50 GEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cccc(-c2ccccn2)c1 ZINC000826419081 607652405 /nfs/dbraw/zinc/65/24/05/607652405.db2.gz IMTZNGQUCBCNKR-UHFFFAOYSA-N -1 3 399.414 2.458 20 50 GEGDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824104781 607712746 /nfs/dbraw/zinc/71/27/46/607712746.db2.gz YFPJYLFDODOKLK-CQSZACIVSA-N -1 3 387.444 2.099 20 50 GEGDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824104781 607712748 /nfs/dbraw/zinc/71/27/48/607712748.db2.gz YFPJYLFDODOKLK-CQSZACIVSA-N -1 3 387.444 2.099 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000826447979 607720209 /nfs/dbraw/zinc/72/02/09/607720209.db2.gz CTKKBTIKDQVWDY-AWEZNQCLSA-N -1 3 397.464 2.066 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000826447979 607720210 /nfs/dbraw/zinc/72/02/10/607720210.db2.gz CTKKBTIKDQVWDY-AWEZNQCLSA-N -1 3 397.464 2.066 20 50 GEGDHM O=C(COc1cccc(C(F)(F)F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418882 607724836 /nfs/dbraw/zinc/72/48/36/607724836.db2.gz ZZXRMGDGCBUCHP-UHFFFAOYSA-N -1 3 378.314 2.408 20 50 GEGDHM O=C(COc1cccc(C(F)(F)F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418882 607724838 /nfs/dbraw/zinc/72/48/38/607724838.db2.gz ZZXRMGDGCBUCHP-UHFFFAOYSA-N -1 3 378.314 2.408 20 50 GEGDHM O=C(Cc1cc(F)ccc1Br)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421705 607724915 /nfs/dbraw/zinc/72/49/15/607724915.db2.gz VMXXQGMIKYDHKM-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM O=C(Cc1cc(F)ccc1Br)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421705 607724917 /nfs/dbraw/zinc/72/49/17/607724917.db2.gz VMXXQGMIKYDHKM-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1n[nH]c2c1CCCC2 ZINC000823281461 606126480 /nfs/dbraw/zinc/12/64/80/606126480.db2.gz SOGYWOHZQQDQOO-UHFFFAOYSA-N -1 3 392.345 2.244 20 50 GEGDHM O=C(NNc1ncccc1C(F)(F)F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823284864 606697740 /nfs/dbraw/zinc/69/77/40/606697740.db2.gz LFBYVMHZWSHVRW-UHFFFAOYSA-N -1 3 385.256 2.316 20 50 GEGDHM O=C(NNc1ncccc1C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823284864 606697741 /nfs/dbraw/zinc/69/77/41/606697741.db2.gz LFBYVMHZWSHVRW-UHFFFAOYSA-N -1 3 385.256 2.316 20 50 GEGDHM C[C@H](Cc1ccccc1Cl)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457015 607817695 /nfs/dbraw/zinc/81/76/95/607817695.db2.gz CNNLFYVDELTFCS-LLVKDONJSA-N -1 3 384.827 2.160 20 50 GEGDHM C[C@H](Cc1ccccc1Cl)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457015 607817696 /nfs/dbraw/zinc/81/76/96/607817696.db2.gz CNNLFYVDELTFCS-LLVKDONJSA-N -1 3 384.827 2.160 20 50 GEGDHM COc1ccc(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826191273 607822491 /nfs/dbraw/zinc/82/24/91/607822491.db2.gz BHIHNBOCDJOTQP-UHFFFAOYSA-N -1 3 382.424 2.350 20 50 GEGDHM COc1ccc(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826191273 607822492 /nfs/dbraw/zinc/82/24/92/607822492.db2.gz BHIHNBOCDJOTQP-UHFFFAOYSA-N -1 3 382.424 2.350 20 50 GEGDHM C[C@H](Nc1nc2ccccc2s1)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824662457 607885239 /nfs/dbraw/zinc/88/52/39/607885239.db2.gz KSDAHMOGYSSSQH-NSHDSACASA-N -1 3 392.448 2.427 20 50 GEGDHM C[C@H](Nc1nc2ccccc2s1)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824662457 607885240 /nfs/dbraw/zinc/88/52/40/607885240.db2.gz KSDAHMOGYSSSQH-NSHDSACASA-N -1 3 392.448 2.427 20 50 GEGDHM CC(=Cc1ccccc1Cl)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823943919 607889377 /nfs/dbraw/zinc/88/93/77/607889377.db2.gz VDHPDXNSXSQHGW-ZHACJKMWSA-N -1 3 382.811 2.385 20 50 GEGDHM CC(=Cc1ccccc1Cl)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823943919 607889378 /nfs/dbraw/zinc/88/93/78/607889378.db2.gz VDHPDXNSXSQHGW-ZHACJKMWSA-N -1 3 382.811 2.385 20 50 GEGDHM COc1ccc(C[C@H](C)CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191302 607996013 /nfs/dbraw/zinc/99/60/13/607996013.db2.gz CFPAXQOHGAAEJF-ZDUSSCGKSA-N -1 3 381.440 2.380 20 50 GEGDHM COc1ccc(C[C@H](C)CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191302 607996014 /nfs/dbraw/zinc/99/60/14/607996014.db2.gz CFPAXQOHGAAEJF-ZDUSSCGKSA-N -1 3 381.440 2.380 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cnc(Cl)s2)cc(-c2nn[n-]n2)n1C ZINC000826235038 608028172 /nfs/dbraw/zinc/02/81/72/608028172.db2.gz AEGGUBLYZLBQFG-KMKOMSMNSA-N -1 3 389.828 2.274 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2ncc(C3CC3)o2)cc(-c2nnn[n-]2)n1C ZINC000826235276 608028224 /nfs/dbraw/zinc/02/82/24/608028224.db2.gz GYUDFWWJQDPMHG-WLRTZDKTSA-N -1 3 379.380 2.029 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2ncc(C3CC3)o2)cc(-c2nn[n-]n2)n1C ZINC000826235276 608028225 /nfs/dbraw/zinc/02/82/25/608028225.db2.gz GYUDFWWJQDPMHG-WLRTZDKTSA-N -1 3 379.380 2.029 20 50 GEGDHM CS(=O)(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224083 608216630 /nfs/dbraw/zinc/21/66/30/608216630.db2.gz NOVRXOFVPWLDQE-OQLLNIDSSA-N -1 3 379.401 2.060 20 50 GEGDHM CS(=O)(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224083 608216632 /nfs/dbraw/zinc/21/66/32/608216632.db2.gz NOVRXOFVPWLDQE-OQLLNIDSSA-N -1 3 379.401 2.060 20 50 GEGDHM COc1ccc([C@H](OC)[C@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826189324 608273169 /nfs/dbraw/zinc/27/31/69/608273169.db2.gz SVXAMYVXMGICQG-YVEFUNNKSA-N -1 3 397.439 2.278 20 50 GEGDHM COc1ccc([C@H](OC)[C@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826189324 608273170 /nfs/dbraw/zinc/27/31/70/608273170.db2.gz SVXAMYVXMGICQG-YVEFUNNKSA-N -1 3 397.439 2.278 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)Nc2cnn(CC(C)C)c2C)cc(-c2nnn[n-]2)n1C ZINC000826241322 608385283 /nfs/dbraw/zinc/38/52/83/608385283.db2.gz ZAPRLMMLCSMLIA-GIDUJCDVSA-N -1 3 393.455 2.220 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)Nc2cnn(CC(C)C)c2C)cc(-c2nn[n-]n2)n1C ZINC000826241322 608385285 /nfs/dbraw/zinc/38/52/85/608385285.db2.gz ZAPRLMMLCSMLIA-GIDUJCDVSA-N -1 3 393.455 2.220 20 50 GEGDHM COc1cc(C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1[N+](=O)[O-] ZINC000826177869 608387106 /nfs/dbraw/zinc/38/71/06/608387106.db2.gz YWOXGMRFMXNMHL-AWNIVKPZSA-N -1 3 388.347 2.495 20 50 GEGDHM COc1cc(C(C#N)=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1[N+](=O)[O-] ZINC000826177869 608387108 /nfs/dbraw/zinc/38/71/08/608387108.db2.gz YWOXGMRFMXNMHL-AWNIVKPZSA-N -1 3 388.347 2.495 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cccc(C#N)c2F)cc(-c2nnn[n-]2)n1C ZINC000826235511 608439943 /nfs/dbraw/zinc/43/99/43/608439943.db2.gz LFOOSTWAUBRBRH-GIDUJCDVSA-N -1 3 391.366 2.175 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cccc(C#N)c2F)cc(-c2nn[n-]n2)n1C ZINC000826235511 608439945 /nfs/dbraw/zinc/43/99/45/608439945.db2.gz LFOOSTWAUBRBRH-GIDUJCDVSA-N -1 3 391.366 2.175 20 50 GEGDHM CCNC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000825476376 608806243 /nfs/dbraw/zinc/80/62/43/608806243.db2.gz IAGUCHHDROCRJI-UHFFFAOYSA-N -1 3 380.412 2.073 20 50 GEGDHM CCNC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000825476376 608806244 /nfs/dbraw/zinc/80/62/44/608806244.db2.gz IAGUCHHDROCRJI-UHFFFAOYSA-N -1 3 380.412 2.073 20 50 GEGDHM CC(C)n1ncc2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cnc21 ZINC000824377267 608806925 /nfs/dbraw/zinc/80/69/25/608806925.db2.gz ALGWMSDAWZXUPH-UHFFFAOYSA-N -1 3 378.400 2.341 20 50 GEGDHM CC(C)n1ncc2cc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cnc21 ZINC000824377267 608806926 /nfs/dbraw/zinc/80/69/26/608806926.db2.gz ALGWMSDAWZXUPH-UHFFFAOYSA-N -1 3 378.400 2.341 20 50 GEGDHM CCOC(=O)NNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825523796 608811934 /nfs/dbraw/zinc/81/19/34/608811934.db2.gz VFWWKWHRQMIWNP-UHFFFAOYSA-N -1 3 383.368 2.442 20 50 GEGDHM CCOC(=O)NNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825523796 608811936 /nfs/dbraw/zinc/81/19/36/608811936.db2.gz VFWWKWHRQMIWNP-UHFFFAOYSA-N -1 3 383.368 2.442 20 50 GEGDHM Cc1nc(-c2ccc(C)c(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)n[nH]1 ZINC000826322589 608813844 /nfs/dbraw/zinc/81/38/44/608813844.db2.gz SSNBPCNQJAQDTA-UHFFFAOYSA-N -1 3 390.411 2.417 20 50 GEGDHM Cc1nc(-c2ccc(C)c(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)n[nH]1 ZINC000826322589 608813846 /nfs/dbraw/zinc/81/38/46/608813846.db2.gz SSNBPCNQJAQDTA-UHFFFAOYSA-N -1 3 390.411 2.417 20 50 GEGDHM CCNC(=O)N(C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000825471194 609166031 /nfs/dbraw/zinc/16/60/31/609166031.db2.gz PIBVFJZCNGIKTJ-UHFFFAOYSA-N -1 3 397.464 2.324 20 50 GEGDHM CCNC(=O)N(C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000825471194 609166033 /nfs/dbraw/zinc/16/60/33/609166033.db2.gz PIBVFJZCNGIKTJ-UHFFFAOYSA-N -1 3 397.464 2.324 20 50 GEGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(F)cc1 ZINC000826260143 609259999 /nfs/dbraw/zinc/25/99/99/609259999.db2.gz YMARKGXGCDBHHO-UHFFFAOYSA-N -1 3 378.371 2.257 20 50 GEGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826273181 609262977 /nfs/dbraw/zinc/26/29/77/609262977.db2.gz SMEGYLBBRYSKJJ-UHFFFAOYSA-N -1 3 375.392 2.245 20 50 GEGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826273181 609262978 /nfs/dbraw/zinc/26/29/78/609262978.db2.gz SMEGYLBBRYSKJJ-UHFFFAOYSA-N -1 3 375.392 2.245 20 50 GEGDHM CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948728 609275318 /nfs/dbraw/zinc/27/53/18/609275318.db2.gz VICBDWUHXOVQNB-NSHDSACASA-N -1 3 386.362 2.453 20 50 GEGDHM CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948728 609275319 /nfs/dbraw/zinc/27/53/19/609275319.db2.gz VICBDWUHXOVQNB-NSHDSACASA-N -1 3 386.362 2.453 20 50 GEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1CCOc2ccc(Cl)cc21 ZINC000826419247 609467565 /nfs/dbraw/zinc/46/75/65/609467565.db2.gz PMKJQHXXBNFSGW-UHFFFAOYSA-N -1 3 398.810 2.202 20 50 GEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1CCOc2ccc(Cl)cc21 ZINC000826419247 609467567 /nfs/dbraw/zinc/46/75/67/609467567.db2.gz PMKJQHXXBNFSGW-UHFFFAOYSA-N -1 3 398.810 2.202 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-c2cscn2)c1 ZINC000823277600 599152422 /nfs/dbraw/zinc/15/24/22/599152422.db2.gz RKZGLQNEGVDKOG-UHFFFAOYSA-N -1 3 391.416 2.065 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-c2cscn2)c1 ZINC000823277600 599152426 /nfs/dbraw/zinc/15/24/26/599152426.db2.gz RKZGLQNEGVDKOG-UHFFFAOYSA-N -1 3 391.416 2.065 20 50 GEGDHM CC(=O)CCc1ccc(O[C@@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823967059 607342408 /nfs/dbraw/zinc/34/24/08/607342408.db2.gz HTHJKVBDQIOVSN-AWEZNQCLSA-N -1 3 394.435 2.299 20 50 GEGDHM CSCc1nc2ccccc2n1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826228927 607345325 /nfs/dbraw/zinc/34/53/25/607345325.db2.gz HBNGGMVAZNXDPD-UHFFFAOYSA-N -1 3 394.464 2.223 20 50 GEGDHM Cc1ccccc1C(=O)N[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826306329 607345905 /nfs/dbraw/zinc/34/59/05/607345905.db2.gz WCHYWUCGAASTDZ-QGZVFWFLSA-N -1 3 393.451 2.073 20 50 GEGDHM O=C(CCCc1nnc(-c2ccccc2)o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406714 607348329 /nfs/dbraw/zinc/34/83/29/607348329.db2.gz JSOBHYCTOHVPMH-UHFFFAOYSA-N -1 3 390.407 2.383 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1[nH]nc2ccc(Br)cc21 ZINC000826447570 607348746 /nfs/dbraw/zinc/34/87/46/607348746.db2.gz LVHKELVPIGWATE-UHFFFAOYSA-N -1 3 399.212 2.262 20 50 GEGDHM CCOc1ccc(C=C(C#N)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825639264 607346725 /nfs/dbraw/zinc/34/67/25/607346725.db2.gz VUCCXKBNXOZBEO-PTNGSMBKSA-N -1 3 375.392 2.316 20 50 GEGDHM CCOc1cn(-c2ccccc2)nc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825658774 607350374 /nfs/dbraw/zinc/35/03/74/607350374.db2.gz KCTSGINEGCSJMY-UHFFFAOYSA-N -1 3 390.407 2.208 20 50 GEGDHM COc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826187280 607351501 /nfs/dbraw/zinc/35/15/01/607351501.db2.gz JBJHXNTWBKVQCE-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCCO2 ZINC000824065031 607355838 /nfs/dbraw/zinc/35/58/38/607355838.db2.gz STVNHHGNZRHEDB-UHFFFAOYSA-N -1 3 380.408 2.059 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NNc2cc(C)ccc2F)cc(-c2nnn[n-]2)n1C ZINC000826289999 607398187 /nfs/dbraw/zinc/39/81/87/607398187.db2.gz VUJSBRFALFQZQO-NTUHNPAUSA-N -1 3 380.387 2.011 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NNc2cc(C)ccc2F)cc(-c2nn[n-]n2)n1C ZINC000826289999 607398188 /nfs/dbraw/zinc/39/81/88/607398188.db2.gz VUJSBRFALFQZQO-NTUHNPAUSA-N -1 3 380.387 2.011 20 50 GEGDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 ZINC000826051107 601657657 /nfs/dbraw/zinc/65/76/57/601657657.db2.gz AONVNOPIYJPMRA-YVEFUNNKSA-N -1 3 389.839 2.153 20 50 GEGDHM C/C=C/c1ccc(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000825028990 607711726 /nfs/dbraw/zinc/71/17/26/607711726.db2.gz LKBMFTWQZLIHFT-HWKANZROSA-N -1 3 380.408 2.431 20 50 GEGDHM C/C=C/c1ccc(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000825028990 607711727 /nfs/dbraw/zinc/71/17/27/607711727.db2.gz LKBMFTWQZLIHFT-HWKANZROSA-N -1 3 380.408 2.431 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000826448935 607716665 /nfs/dbraw/zinc/71/66/65/607716665.db2.gz TUZSBLKTWNTKCA-UHFFFAOYSA-N -1 3 393.436 2.034 20 50 GEGDHM CC(C)NC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824305879 607718367 /nfs/dbraw/zinc/71/83/67/607718367.db2.gz VWWAQUOUCWZEMC-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM CC(C)NC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824305879 607718369 /nfs/dbraw/zinc/71/83/69/607718369.db2.gz VWWAQUOUCWZEMC-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000826447984 607720248 /nfs/dbraw/zinc/72/02/48/607720248.db2.gz CZNQHWMWFSWJQS-HNNXBMFYSA-N -1 3 397.826 2.016 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000826447984 607720250 /nfs/dbraw/zinc/72/02/50/607720250.db2.gz CZNQHWMWFSWJQS-HNNXBMFYSA-N -1 3 397.826 2.016 20 50 GEGDHM CC(=O)N[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000823989347 607721652 /nfs/dbraw/zinc/72/16/52/607721652.db2.gz USSLKRJSNZUKFH-INIZCTEOSA-N -1 3 399.842 2.231 20 50 GEGDHM CC(=O)N[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000823989347 607721654 /nfs/dbraw/zinc/72/16/54/607721654.db2.gz USSLKRJSNZUKFH-INIZCTEOSA-N -1 3 399.842 2.231 20 50 GEGDHM CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825059215 607724320 /nfs/dbraw/zinc/72/43/20/607724320.db2.gz DBNOAZBRSPMOIP-BXUZGUMPSA-N -1 3 389.460 2.249 20 50 GEGDHM CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825059215 607724322 /nfs/dbraw/zinc/72/43/22/607724322.db2.gz DBNOAZBRSPMOIP-BXUZGUMPSA-N -1 3 389.460 2.249 20 50 GEGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824385660 607724916 /nfs/dbraw/zinc/72/49/16/607724916.db2.gz YPNNBAKZLGGGCD-JTQLQIEISA-N -1 3 386.362 2.100 20 50 GEGDHM C[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824385660 607724918 /nfs/dbraw/zinc/72/49/18/607724918.db2.gz YPNNBAKZLGGGCD-JTQLQIEISA-N -1 3 386.362 2.100 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1[nH]nc2ccc(Br)cc21 ZINC000826449440 607725060 /nfs/dbraw/zinc/72/50/60/607725060.db2.gz SNYGCMSKHFTSNQ-UHFFFAOYSA-N -1 3 399.212 2.262 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823281801 606198887 /nfs/dbraw/zinc/19/88/87/606198887.db2.gz XZJZYZYNQSLFQS-HNNXBMFYSA-N -1 3 398.858 2.425 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823281801 606198889 /nfs/dbraw/zinc/19/88/89/606198889.db2.gz XZJZYZYNQSLFQS-HNNXBMFYSA-N -1 3 398.858 2.425 20 50 GEGDHM O=C(NNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)NC1CC1 ZINC000823277799 606317541 /nfs/dbraw/zinc/31/75/41/606317541.db2.gz WZNUHGBHMOTDAU-UHFFFAOYSA-N -1 3 395.448 2.124 20 50 GEGDHM O=C(NNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)NC1CC1 ZINC000823277799 606317544 /nfs/dbraw/zinc/31/75/44/606317544.db2.gz WZNUHGBHMOTDAU-UHFFFAOYSA-N -1 3 395.448 2.124 20 50 GEGDHM O=C(NNc1cccnc1Cl)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823280937 606643231 /nfs/dbraw/zinc/64/32/31/606643231.db2.gz IUROYLYDXZXNFW-CQSZACIVSA-N -1 3 384.831 2.027 20 50 GEGDHM O=C(NNc1ccc(Br)nc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823280593 606696627 /nfs/dbraw/zinc/69/66/27/606696627.db2.gz CMHQIRMWNVVSPE-UHFFFAOYSA-N -1 3 396.155 2.059 20 50 GEGDHM O=C(NNc1ccc(Br)nc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823280593 606696628 /nfs/dbraw/zinc/69/66/28/606696628.db2.gz CMHQIRMWNVVSPE-UHFFFAOYSA-N -1 3 396.155 2.059 20 50 GEGDHM O=C(NNC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277627 607151057 /nfs/dbraw/zinc/15/10/57/607151057.db2.gz SHHHEBGPOFQWAP-UHFFFAOYSA-N -1 3 394.288 2.099 20 50 GEGDHM O=C(NNC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277627 607151059 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GEGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(C(F)(F)F)CC2)cc(-c2nn[n-]n2)n1C ZINC000826236028 607956707 /nfs/dbraw/zinc/95/67/07/607956707.db2.gz XAPBOEBBFJESKH-KPKJPENVSA-N -1 3 391.357 2.142 20 50 GEGDHM Cn1c(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc2ccc(Cl)cc21 ZINC000826355335 608110652 /nfs/dbraw/zinc/11/06/52/608110652.db2.gz UXQBUCXDPSLIBI-UHFFFAOYSA-N -1 3 380.799 2.171 20 50 GEGDHM Cn1c(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc2ccc(Cl)cc21 ZINC000826355335 608110653 /nfs/dbraw/zinc/11/06/53/608110653.db2.gz UXQBUCXDPSLIBI-UHFFFAOYSA-N -1 3 380.799 2.171 20 50 GEGDHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826189322 608272923 /nfs/dbraw/zinc/27/29/23/608272923.db2.gz SVXAMYVXMGICQG-SJCJKPOMSA-N -1 3 397.439 2.278 20 50 GEGDHM COc1ccc([C@@H](OC)[C@H](C)NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826189322 608272925 /nfs/dbraw/zinc/27/29/25/608272925.db2.gz SVXAMYVXMGICQG-SJCJKPOMSA-N -1 3 397.439 2.278 20 50 GEGDHM O=C(NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)NNC(=O)C1CCC1 ZINC000826441001 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Cc1c(NNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826242711 607395874 /nfs/dbraw/zinc/39/58/74/607395874.db2.gz BSLLDWFTLTWYTA-UHFFFAOYSA-N -1 3 397.395 2.384 20 50 GEGDHM Cc1c(NNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826242711 607395875 /nfs/dbraw/zinc/39/58/75/607395875.db2.gz BSLLDWFTLTWYTA-UHFFFAOYSA-N -1 3 397.395 2.384 20 50 GEGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1cccc2cnccc21 ZINC000824738129 607397348 /nfs/dbraw/zinc/39/73/48/607397348.db2.gz MCYRHCBSHNIKOO-LBPRGKRZSA-N -1 3 375.392 2.326 20 50 GEGDHM CC(C)(CO)[C@@H](CNC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824163119 607628239 /nfs/dbraw/zinc/62/82/39/607628239.db2.gz YQTDESRWXPZWES-KRWDZBQOSA-N -1 3 395.467 2.295 20 50 GEGDHM CC(C)(CO)[C@@H](CNC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824163119 607628241 /nfs/dbraw/zinc/62/82/41/607628241.db2.gz YQTDESRWXPZWES-KRWDZBQOSA-N -1 3 395.467 2.295 20 50 GEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 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DSAZBODWXWNURP-CYBMUJFWSA-N -1 3 394.435 2.220 20 50 GEGDHM CC[C@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825081039 607712845 /nfs/dbraw/zinc/71/28/45/607712845.db2.gz DSAZBODWXWNURP-CYBMUJFWSA-N -1 3 394.435 2.220 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000826448894 607714682 /nfs/dbraw/zinc/71/46/82/607714682.db2.gz QXQDDNCPMAUAGV-UHFFFAOYSA-N -1 3 380.368 2.106 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000826448894 607714683 /nfs/dbraw/zinc/71/46/83/607714683.db2.gz QXQDDNCPMAUAGV-UHFFFAOYSA-N -1 3 380.368 2.106 20 50 GEGDHM CCOc1cccc2c1OCC(C(=O)NNc1cccc(-c3nnn[n-]3)c1)=C2 ZINC000825654335 607717297 /nfs/dbraw/zinc/71/72/97/607717297.db2.gz XNWWFQYPWOFEOE-UHFFFAOYSA-N -1 3 378.392 2.185 20 50 GEGDHM CCOc1cccc2c1OCC(C(=O)NNc1cccc(-c3nn[n-]n3)c1)=C2 ZINC000825654335 607717299 /nfs/dbraw/zinc/71/72/99/607717299.db2.gz XNWWFQYPWOFEOE-UHFFFAOYSA-N -1 3 378.392 2.185 20 50 GEGDHM Cc1cc(-n2c(C)cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2C)no1 ZINC000826256339 607721205 /nfs/dbraw/zinc/72/12/05/607721205.db2.gz DPLKGLAJQMBTCO-UHFFFAOYSA-N -1 3 378.396 2.328 20 50 GEGDHM Cc1cc(-n2c(C)cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2C)no1 ZINC000826256339 607721207 /nfs/dbraw/zinc/72/12/07/607721207.db2.gz DPLKGLAJQMBTCO-UHFFFAOYSA-N -1 3 378.396 2.328 20 50 GEGDHM O=C(Cc1cc(Br)ccc1F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421498 607723034 /nfs/dbraw/zinc/72/30/34/607723034.db2.gz KVXJCSYFGIPRPM-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM O=C(Cc1cc(Br)ccc1F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421498 607723035 /nfs/dbraw/zinc/72/30/35/607723035.db2.gz KVXJCSYFGIPRPM-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM C=CCc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000823937090 607727395 /nfs/dbraw/zinc/72/73/95/607727395.db2.gz HMZJLAAECYWTTQ-UHFFFAOYSA-N -1 3 380.408 2.369 20 50 GEGDHM C=CCc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000823937090 607727397 /nfs/dbraw/zinc/72/73/97/607727397.db2.gz HMZJLAAECYWTTQ-UHFFFAOYSA-N -1 3 380.408 2.369 20 50 GEGDHM CSc1nc(C)c(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826231660 607727914 /nfs/dbraw/zinc/72/79/14/607727914.db2.gz UULGUDMPQNABCW-UHFFFAOYSA-N -1 3 384.469 2.071 20 50 GEGDHM CSc1nc(C)c(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826231660 607727916 /nfs/dbraw/zinc/72/79/16/607727916.db2.gz UULGUDMPQNABCW-UHFFFAOYSA-N -1 3 384.469 2.071 20 50 GEGDHM O=C(COc1ccc(C(F)(F)F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826417870 607731929 /nfs/dbraw/zinc/73/19/29/607731929.db2.gz JHMXWCHXORKAOD-UHFFFAOYSA-N -1 3 378.314 2.408 20 50 GEGDHM O=C(COc1ccc(C(F)(F)F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826417870 607731931 /nfs/dbraw/zinc/73/19/31/607731931.db2.gz JHMXWCHXORKAOD-UHFFFAOYSA-N -1 3 378.314 2.408 20 50 GEGDHM O=C(NNc1ccc(Br)cc1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826447847 607757229 /nfs/dbraw/zinc/75/72/29/607757229.db2.gz YUYPWBYSVHSGPV-UHFFFAOYSA-N -1 3 382.609 2.368 20 50 GEGDHM O=C(NNc1ccc(Br)cc1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826447847 607757230 /nfs/dbraw/zinc/75/72/30/607757230.db2.gz YUYPWBYSVHSGPV-UHFFFAOYSA-N -1 3 382.609 2.368 20 50 GEGDHM CC(=Cc1ccccc1Cl)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823944005 607893756 /nfs/dbraw/zinc/89/37/56/607893756.db2.gz WTXAWGZQDCXVOY-LUAWRHEFSA-N -1 3 382.811 2.385 20 50 GEGDHM CC(=Cc1ccccc1Cl)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823944005 607893757 /nfs/dbraw/zinc/89/37/57/607893757.db2.gz WTXAWGZQDCXVOY-LUAWRHEFSA-N -1 3 382.811 2.385 20 50 GEGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000823953463 607930794 /nfs/dbraw/zinc/93/07/94/607930794.db2.gz AWWLGRPFRICEAE-UHFFFAOYSA-N -1 3 392.242 2.240 20 50 GEGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ncc(Br)s1 ZINC000823953463 607930795 /nfs/dbraw/zinc/93/07/95/607930795.db2.gz AWWLGRPFRICEAE-UHFFFAOYSA-N -1 3 392.242 2.240 20 50 GEGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823943796 607980243 /nfs/dbraw/zinc/98/02/43/607980243.db2.gz UBFQMIFIKGYQGA-LUAWRHEFSA-N -1 3 382.811 2.385 20 50 GEGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823943796 607980244 /nfs/dbraw/zinc/98/02/44/607980244.db2.gz UBFQMIFIKGYQGA-LUAWRHEFSA-N -1 3 382.811 2.385 20 50 GEGDHM CCc1ccc(O)c(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000825717495 607999214 /nfs/dbraw/zinc/99/92/14/607999214.db2.gz NEOQGXHFIMQZPS-RIYZIHGNSA-N -1 3 377.408 2.327 20 50 GEGDHM CC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1nc2c(s1)CCCC2 ZINC000823948760 608053598 /nfs/dbraw/zinc/05/35/98/608053598.db2.gz WVJMUHIPCXZYHY-UHFFFAOYSA-N -1 3 397.464 2.121 20 50 GEGDHM CC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1nc2c(s1)CCCC2 ZINC000823948760 608053599 /nfs/dbraw/zinc/05/35/99/608053599.db2.gz WVJMUHIPCXZYHY-UHFFFAOYSA-N -1 3 397.464 2.121 20 50 GEGDHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824967798 608098430 /nfs/dbraw/zinc/09/84/30/608098430.db2.gz NFWGSXMZQOYMST-PXAZEXFGSA-N -1 3 391.435 2.134 20 50 GEGDHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824967798 608098431 /nfs/dbraw/zinc/09/84/31/608098431.db2.gz NFWGSXMZQOYMST-PXAZEXFGSA-N -1 3 391.435 2.134 20 50 GEGDHM C[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1=O ZINC000824865802 608170186 /nfs/dbraw/zinc/17/01/86/608170186.db2.gz JPNNQENNYIYNHB-BDAKNGLRSA-N -1 3 382.346 2.334 20 50 GEGDHM C[C@@H]1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1=O ZINC000824865802 608170187 /nfs/dbraw/zinc/17/01/87/608170187.db2.gz JPNNQENNYIYNHB-BDAKNGLRSA-N -1 3 382.346 2.334 20 50 GEGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)c1cccc2c1OCCO2 ZINC000826379362 608219703 /nfs/dbraw/zinc/21/97/03/608219703.db2.gz PWMLHGSLRATTIJ-MDWZMJQESA-N -1 3 399.370 2.075 20 50 GEGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)c1cccc2c1OCCO2 ZINC000826379362 608219704 /nfs/dbraw/zinc/21/97/04/608219704.db2.gz PWMLHGSLRATTIJ-MDWZMJQESA-N -1 3 399.370 2.075 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826445188 608311484 /nfs/dbraw/zinc/31/14/84/608311484.db2.gz KDQUMNZPRQQHPE-MRXNPFEDSA-N -1 3 395.398 2.027 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000826445188 608311486 /nfs/dbraw/zinc/31/14/86/608311486.db2.gz KDQUMNZPRQQHPE-MRXNPFEDSA-N -1 3 395.398 2.027 20 50 GEGDHM CC(C)(C)C(=O)NNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824072172 608357192 /nfs/dbraw/zinc/35/71/92/608357192.db2.gz SGNHEEZLWIICCU-UHFFFAOYSA-N -1 3 393.451 2.410 20 50 GEGDHM CC(C)(C)C(=O)NNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824072172 608357194 /nfs/dbraw/zinc/35/71/94/608357194.db2.gz SGNHEEZLWIICCU-UHFFFAOYSA-N -1 3 393.451 2.410 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(Cn2cccn2)c1 ZINC000826447913 608805540 /nfs/dbraw/zinc/80/55/40/608805540.db2.gz AXCFMEDOHBNDEH-UHFFFAOYSA-N -1 3 375.396 2.260 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cn2cccn2)c1 ZINC000826447913 608805542 /nfs/dbraw/zinc/80/55/42/608805542.db2.gz AXCFMEDOHBNDEH-UHFFFAOYSA-N 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608814142 /nfs/dbraw/zinc/81/41/42/608814142.db2.gz GJDCUDQXZQXRQN-UHFFFAOYSA-N -1 3 395.423 2.466 20 50 GEGDHM COc1ccc(NNC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826210008 609153266 /nfs/dbraw/zinc/15/32/66/609153266.db2.gz ALFAOSCCUVADDI-UHFFFAOYSA-N -1 3 390.407 2.126 20 50 GEGDHM COc1ccc(NNC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000826210008 609153268 /nfs/dbraw/zinc/15/32/68/609153268.db2.gz ALFAOSCCUVADDI-UHFFFAOYSA-N -1 3 390.407 2.126 20 50 GEGDHM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826187622 609274343 /nfs/dbraw/zinc/27/43/43/609274343.db2.gz ZJKVONMRJIFQOO-UHFFFAOYSA-N -1 3 384.371 2.177 20 50 GEGDHM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826187622 609274345 /nfs/dbraw/zinc/27/43/45/609274345.db2.gz ZJKVONMRJIFQOO-UHFFFAOYSA-N -1 3 384.371 2.177 20 50 GEGDHM CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823942500 609274923 /nfs/dbraw/zinc/27/49/23/609274923.db2.gz DJUPWHACVWBFRJ-UHFFFAOYSA-N -1 3 395.398 2.102 20 50 GEGDHM CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823942500 609274925 /nfs/dbraw/zinc/27/49/25/609274925.db2.gz DJUPWHACVWBFRJ-UHFFFAOYSA-N -1 3 395.398 2.102 20 50 GEGDHM CCCCCNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825276497 609302537 /nfs/dbraw/zinc/30/25/37/609302537.db2.gz YPTQTROIGYGIQS-LFIBNONCSA-N -1 3 390.451 2.481 20 50 GEGDHM CCCCCNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825276497 609302539 /nfs/dbraw/zinc/30/25/39/609302539.db2.gz YPTQTROIGYGIQS-LFIBNONCSA-N -1 3 390.451 2.481 20 50 GEGDHM CCCn1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000825356701 609417264 /nfs/dbraw/zinc/41/72/64/609417264.db2.gz FQEHGEOSKZFXKT-UHFFFAOYSA-N -1 3 380.334 2.249 20 50 GEGDHM CCCn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000825356701 609417265 /nfs/dbraw/zinc/41/72/65/609417265.db2.gz FQEHGEOSKZFXKT-UHFFFAOYSA-N -1 3 380.334 2.249 20 50 GEGDHM CC(C)(C)C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F 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GEGDHM CC(C)NC(=O)Nc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824305315 607714634 /nfs/dbraw/zinc/71/46/34/607714634.db2.gz NAGMDIVZMBNGGQ-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM CSc1nc(C2CC2)cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826231295 607718618 /nfs/dbraw/zinc/71/86/18/607718618.db2.gz FRUIOWVPTLBJDX-UHFFFAOYSA-N -1 3 392.448 2.490 20 50 GEGDHM CSc1nc(C2CC2)cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826231295 607718620 /nfs/dbraw/zinc/71/86/20/607718620.db2.gz FRUIOWVPTLBJDX-UHFFFAOYSA-N -1 3 392.448 2.490 20 50 GEGDHM Cc1cc(C)n(Cc2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826265266 607721147 /nfs/dbraw/zinc/72/11/47/607721147.db2.gz RYSXVJHSJPTSLI-UHFFFAOYSA-N -1 3 388.435 2.485 20 50 GEGDHM Cc1cc(C)n(Cc2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826265266 607721149 /nfs/dbraw/zinc/72/11/49/607721149.db2.gz RYSXVJHSJPTSLI-UHFFFAOYSA-N -1 3 388.435 2.485 20 50 GEGDHM Cc1nc(SCC(=O)NNc2cccc(C#N)c2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327374 607724721 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O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823280944 606671482 /nfs/dbraw/zinc/67/14/82/606671482.db2.gz JFSDYBZVGGZGCH-UHFFFAOYSA-N -1 3 395.713 2.463 20 50 GEGDHM O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823280944 606671483 /nfs/dbraw/zinc/67/14/83/606671483.db2.gz JFSDYBZVGGZGCH-UHFFFAOYSA-N -1 3 395.713 2.463 20 50 GEGDHM C[C@@H](Cc1ccccc1Cl)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824457016 607817724 /nfs/dbraw/zinc/81/77/24/607817724.db2.gz CNNLFYVDELTFCS-NSHDSACASA-N -1 3 384.827 2.160 20 50 GEGDHM C[C@@H](Cc1ccccc1Cl)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824457016 607817725 /nfs/dbraw/zinc/81/77/25/607817725.db2.gz CNNLFYVDELTFCS-NSHDSACASA-N -1 3 384.827 2.160 20 50 GEGDHM O=C(NN=Cc1c(C2CC2)nc2sccn12)c1cccc(-c2nn[n-]n2)c1 ZINC000826444650 607889017 /nfs/dbraw/zinc/88/90/17/607889017.db2.gz ORJMYBUIPKWEIB-UHFFFAOYSA-N -1 3 378.421 2.217 20 50 GEGDHM COc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)sc1Br ZINC000826177685 607995408 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GEGDHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824967868 608099265 /nfs/dbraw/zinc/09/92/65/608099265.db2.gz NSESZZQILGNTET-YVEFUNNKSA-N -1 3 391.435 2.134 20 50 GEGDHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824967868 608099266 /nfs/dbraw/zinc/09/92/66/608099266.db2.gz NSESZZQILGNTET-YVEFUNNKSA-N -1 3 391.435 2.134 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824136035 608140676 /nfs/dbraw/zinc/14/06/76/608140676.db2.gz MMGGFCCQGBMLNT-UHFFFAOYSA-N -1 3 379.424 2.246 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824136035 608140677 /nfs/dbraw/zinc/14/06/77/608140677.db2.gz MMGGFCCQGBMLNT-UHFFFAOYSA-N -1 3 379.424 2.246 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235894 608200501 /nfs/dbraw/zinc/20/05/01/608200501.db2.gz UFUFGXLBVNQQTK-BPKVKKHESA-N -1 3 379.468 2.459 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc(-c2nn[n-]n2)n1C 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2.268 20 50 GEGDHM Cc1c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cccc1N1CCOC1=O ZINC000826241419 608813583 /nfs/dbraw/zinc/81/35/83/608813583.db2.gz CQUIFRUINXIVFL-UHFFFAOYSA-N -1 3 394.395 2.280 20 50 GEGDHM Cc1c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cccc1N1CCOC1=O ZINC000826241419 608813586 /nfs/dbraw/zinc/81/35/86/608813586.db2.gz CQUIFRUINXIVFL-UHFFFAOYSA-N -1 3 394.395 2.280 20 50 GEGDHM COc1ccc(CNC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826195701 608875965 /nfs/dbraw/zinc/87/59/65/608875965.db2.gz CKSOWUFNBHZKQM-RIYZIHGNSA-N -1 3 378.367 2.238 20 50 GEGDHM COc1ccc(CNC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826195701 608875967 /nfs/dbraw/zinc/87/59/67/608875967.db2.gz CKSOWUFNBHZKQM-RIYZIHGNSA-N -1 3 378.367 2.238 20 50 GEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948657 609157135 /nfs/dbraw/zinc/15/71/35/609157135.db2.gz TZIOMRJVSWMFNM-LLVKDONJSA-N -1 3 386.362 2.453 20 50 GEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948657 609157136 /nfs/dbraw/zinc/15/71/36/609157136.db2.gz TZIOMRJVSWMFNM-LLVKDONJSA-N -1 3 386.362 2.453 20 50 GEGDHM O=C(NN=C(c1ccccc1)c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444551 609192639 /nfs/dbraw/zinc/19/26/39/609192639.db2.gz KYIXYDOTLZSOAM-HXUWFJFHSA-N -1 3 398.426 2.469 20 50 GEGDHM O=C(NN=C(c1ccccc1)c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444551 609192640 /nfs/dbraw/zinc/19/26/40/609192640.db2.gz KYIXYDOTLZSOAM-HXUWFJFHSA-N -1 3 398.426 2.469 20 50 GEGDHM CCO/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825583224 609258545 /nfs/dbraw/zinc/25/85/45/609258545.db2.gz SGHIZXCFKBZHFS-JLHYYAGUSA-N -1 3 381.421 2.296 20 50 GEGDHM CCO/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825583224 609258546 /nfs/dbraw/zinc/25/85/46/609258546.db2.gz SGHIZXCFKBZHFS-JLHYYAGUSA-N -1 3 381.421 2.296 20 50 GEGDHM COc1ccc(C[C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826190901 609297324 /nfs/dbraw/zinc/29/73/24/609297324.db2.gz QLDVGZHCAVRDJO-LBPRGKRZSA-N -1 3 382.424 2.206 20 50 GEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1CC(c2cccc(F)c2)C1 ZINC000826419277 609375084 /nfs/dbraw/zinc/37/50/84/609375084.db2.gz QQAQARPZBSBEQN-UHFFFAOYSA-N -1 3 380.383 2.434 20 50 GEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1CC(c2cccc(F)c2)C1 ZINC000826419277 609375087 /nfs/dbraw/zinc/37/50/87/609375087.db2.gz QQAQARPZBSBEQN-UHFFFAOYSA-N -1 3 380.383 2.434 20 50 GEGDHM CCc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc(=O)[nH]1 ZINC000825694561 609390452 /nfs/dbraw/zinc/39/04/52/609390452.db2.gz UMTHHHYRHFKZJW-UHFFFAOYSA-N -1 3 393.329 2.305 20 50 GEGDHM CCc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc(=O)[nH]1 ZINC000825694561 609390454 /nfs/dbraw/zinc/39/04/54/609390454.db2.gz UMTHHHYRHFKZJW-UHFFFAOYSA-N -1 3 393.329 2.305 20 50 GEGDHM COc1ccc2[nH]c(=NNC(=O)Cc3ccc(-c4nnn[n-]4)cc3)c(C)cc2c1 ZINC000826214018 609401056 /nfs/dbraw/zinc/40/10/56/609401056.db2.gz WVPRJPZBESYMDH-UHFFFAOYSA-N -1 3 389.419 2.418 20 50 GEGDHM COc1ccc2[nH]c(=NNC(=O)Cc3ccc(-c4nn[n-]n4)cc3)c(C)cc2c1 ZINC000826214018 609401058 /nfs/dbraw/zinc/40/10/58/609401058.db2.gz WVPRJPZBESYMDH-UHFFFAOYSA-N -1 3 389.419 2.418 20 50 GEGDHM COC(=O)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826138390 609442070 /nfs/dbraw/zinc/44/20/70/609442070.db2.gz SGBGZWDZJSRTHL-SXGWCWSVSA-N -1 3 389.371 2.208 20 50 GEGDHM COC(=O)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826138390 609442072 /nfs/dbraw/zinc/44/20/72/609442072.db2.gz SGBGZWDZJSRTHL-SXGWCWSVSA-N -1 3 389.371 2.208 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(c3ccccc3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235936 609500927 /nfs/dbraw/zinc/50/09/27/609500927.db2.gz UZNQWHYEWFIKDP-ZDLGFXPLSA-N -1 3 385.431 2.346 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(c3ccccc3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235936 609500929 /nfs/dbraw/zinc/50/09/29/609500929.db2.gz UZNQWHYEWFIKDP-ZDLGFXPLSA-N -1 3 385.431 2.346 20 50 GEGDHM COc1ccc2nc(C)c(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213825 607340418 /nfs/dbraw/zinc/34/04/18/607340418.db2.gz OBIBPXPBHJCYIF-UHFFFAOYSA-N -1 3 375.392 2.489 20 50 GEGDHM O=C(C=Cc1ccc(Br)o1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826399677 607342087 /nfs/dbraw/zinc/34/20/87/607342087.db2.gz CEKXHPQWLXFEMC-VURMDHGXSA-N -1 3 375.186 2.379 20 50 GEGDHM CC(C)Cn1ncc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000824284899 607347588 /nfs/dbraw/zinc/34/75/88/607347588.db2.gz RNWGBQDEPPCMDE-UHFFFAOYSA-N -1 3 377.412 2.024 20 50 GEGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000826234835 607349328 /nfs/dbraw/zinc/34/93/28/607349328.db2.gz PXSITMZXJJAXLS-UHFFFAOYSA-N -1 3 379.424 2.415 20 50 GEGDHM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825061074 607349339 /nfs/dbraw/zinc/34/93/39/607349339.db2.gz WEUUJHOOKCDDBK-RISCZKNCSA-N -1 3 389.460 2.249 20 50 GEGDHM COc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826187527 607351405 /nfs/dbraw/zinc/35/14/05/607351405.db2.gz VCLKELWGCTXEHY-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000826446207 607351801 /nfs/dbraw/zinc/35/18/01/607351801.db2.gz DAYASVZXJHIQMP-KRWDZBQOSA-N -1 3 391.435 2.005 20 50 GEGDHM O=C(COc1ccc(C(F)(F)F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826417858 607352851 /nfs/dbraw/zinc/35/28/51/607352851.db2.gz IXEOAZIVLBXUSI-UHFFFAOYSA-N -1 3 378.314 2.408 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000826447262 607358334 /nfs/dbraw/zinc/35/83/34/607358334.db2.gz WZFMUAQDDDVPSU-OAHLLOKOSA-N -1 3 396.432 2.031 20 50 GEGDHM COc1cccc(C=C(C#N)C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214920 607360675 /nfs/dbraw/zinc/36/06/75/607360675.db2.gz AUFBHDDLWDNQMI-CXUHLZMHSA-N -1 3 389.371 2.208 20 50 GEGDHM COc1cccc(C=C(C#N)C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214920 607360677 /nfs/dbraw/zinc/36/06/77/607360677.db2.gz AUFBHDDLWDNQMI-CXUHLZMHSA-N -1 3 389.371 2.208 20 50 GEGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ccccc2Cl)cc1 ZINC000826395388 607377112 /nfs/dbraw/zinc/37/71/12/607377112.db2.gz YUFOTJGYNKTZPZ-UHFFFAOYSA-N -1 3 395.814 2.045 20 50 GEGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ccccc2Cl)cc1 ZINC000826395388 607377114 /nfs/dbraw/zinc/37/71/14/607377114.db2.gz YUFOTJGYNKTZPZ-UHFFFAOYSA-N -1 3 395.814 2.045 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NNc2ccc(F)cc2C)cc(-c2nnn[n-]2)n1C ZINC000826268993 607392892 /nfs/dbraw/zinc/39/28/92/607392892.db2.gz WYBRUXCFTXCPBO-NTUHNPAUSA-N -1 3 380.387 2.011 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NNc2ccc(F)cc2C)cc(-c2nn[n-]n2)n1C ZINC000826268993 607392894 /nfs/dbraw/zinc/39/28/94/607392894.db2.gz WYBRUXCFTXCPBO-NTUHNPAUSA-N -1 3 380.387 2.011 20 50 GEGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(OC(F)F)cc1 ZINC000824746986 607396106 /nfs/dbraw/zinc/39/61/06/607396106.db2.gz XYBRIEPIURLXOH-JTQLQIEISA-N -1 3 390.350 2.379 20 50 GEGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(OC(F)F)cc1 ZINC000824746986 607396107 /nfs/dbraw/zinc/39/61/07/607396107.db2.gz XYBRIEPIURLXOH-JTQLQIEISA-N -1 3 390.350 2.379 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc(C#N)n1C ZINC000826252428 607404142 /nfs/dbraw/zinc/40/41/42/607404142.db2.gz COXRIOLJMSHDBI-REZTVBANSA-N -1 3 387.403 2.344 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc(C#N)n1C ZINC000826252428 607404143 /nfs/dbraw/zinc/40/41/43/607404143.db2.gz COXRIOLJMSHDBI-REZTVBANSA-N -1 3 387.403 2.344 20 50 GEGDHM COc1ccc(CNC(=O)NNc2cc(F)c(F)cc2F)cc1-c1nnn[n-]1 ZINC000826200275 607626923 /nfs/dbraw/zinc/62/69/23/607626923.db2.gz HTOMHHZRAJODCT-UHFFFAOYSA-N -1 3 393.329 2.119 20 50 GEGDHM COc1ccc(CNC(=O)NNc2cc(F)c(F)cc2F)cc1-c1nn[n-]n1 ZINC000826200275 607626924 /nfs/dbraw/zinc/62/69/24/607626924.db2.gz HTOMHHZRAJODCT-UHFFFAOYSA-N -1 3 393.329 2.119 20 50 GEGDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NNc1cccc([N+](=O)[O-])c1 ZINC000826406375 607712557 /nfs/dbraw/zinc/71/25/57/607712557.db2.gz UCEYSQMHESIVJP-UHFFFAOYSA-N -1 3 397.395 2.467 20 50 GEGDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NNc1cccc([N+](=O)[O-])c1 ZINC000826406375 607712559 /nfs/dbraw/zinc/71/25/59/607712559.db2.gz UCEYSQMHESIVJP-UHFFFAOYSA-N -1 3 397.395 2.467 20 50 GEGDHM COc1ccc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c(C)nc2c1 ZINC000826212786 607722123 /nfs/dbraw/zinc/72/21/23/607722123.db2.gz BFBPBZISAKHPHS-UHFFFAOYSA-N -1 3 375.392 2.489 20 50 GEGDHM COc1ccc2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c(C)nc2c1 ZINC000826212786 607722124 /nfs/dbraw/zinc/72/21/24/607722124.db2.gz BFBPBZISAKHPHS-UHFFFAOYSA-N -1 3 375.392 2.489 20 50 GEGDHM O=C(CCc1nnc(-c2ccsc2)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409132 607723142 /nfs/dbraw/zinc/72/31/42/607723142.db2.gz JYAQQQDYHUFNKR-UHFFFAOYSA-N -1 3 382.409 2.054 20 50 GEGDHM O=C(CCc1nnc(-c2ccsc2)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409132 607723145 /nfs/dbraw/zinc/72/31/45/607723145.db2.gz JYAQQQDYHUFNKR-UHFFFAOYSA-N -1 3 382.409 2.054 20 50 GEGDHM Cn1ccnc1SCc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826364985 607726477 /nfs/dbraw/zinc/72/64/77/607726477.db2.gz VVLCSSLQOOPXRY-UHFFFAOYSA-N -1 3 396.436 2.242 20 50 GEGDHM Cn1ccnc1SCc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826364985 607726478 /nfs/dbraw/zinc/72/64/78/607726478.db2.gz VVLCSSLQOOPXRY-UHFFFAOYSA-N -1 3 396.436 2.242 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc2O1 ZINC000823280880 606130425 /nfs/dbraw/zinc/13/04/25/606130425.db2.gz HPPXUUKWOFTPKV-AWEZNQCLSA-N -1 3 390.325 2.332 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc2O1 ZINC000823280880 606130427 /nfs/dbraw/zinc/13/04/27/606130427.db2.gz HPPXUUKWOFTPKV-AWEZNQCLSA-N -1 3 390.325 2.332 20 50 GEGDHM CC(C)(C)O[C@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824119780 607817344 /nfs/dbraw/zinc/81/73/44/607817344.db2.gz QCBBDJZCHHSWDH-INIZCTEOSA-N -1 3 394.435 2.184 20 50 GEGDHM CC(C)(C)O[C@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824119780 607817345 /nfs/dbraw/zinc/81/73/45/607817345.db2.gz QCBBDJZCHHSWDH-INIZCTEOSA-N -1 3 394.435 2.184 20 50 GEGDHM C[C@@H](Nc1nc2ccccc2s1)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824662456 607885160 /nfs/dbraw/zinc/88/51/60/607885160.db2.gz KSDAHMOGYSSSQH-LLVKDONJSA-N -1 3 392.448 2.427 20 50 GEGDHM C[C@@H](Nc1nc2ccccc2s1)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824662456 607885161 /nfs/dbraw/zinc/88/51/61/607885161.db2.gz KSDAHMOGYSSSQH-LLVKDONJSA-N -1 3 392.448 2.427 20 50 GEGDHM Cn1c(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc2cc(Cl)ccc21 ZINC000826354951 607888546 /nfs/dbraw/zinc/88/85/46/607888546.db2.gz CWSKIGQGSUEQDU-UHFFFAOYSA-N -1 3 380.799 2.171 20 50 GEGDHM Cn1c(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc2cc(Cl)ccc21 ZINC000826354951 607888547 /nfs/dbraw/zinc/88/85/47/607888547.db2.gz CWSKIGQGSUEQDU-UHFFFAOYSA-N -1 3 380.799 2.171 20 50 GEGDHM CC(=Cc1ccccc1Cl)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823944006 607893576 /nfs/dbraw/zinc/89/35/76/607893576.db2.gz WTXAWGZQDCXVOY-PKNBQFBNSA-N -1 3 382.811 2.385 20 50 GEGDHM CC(=Cc1ccccc1Cl)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823944006 607893577 /nfs/dbraw/zinc/89/35/77/607893577.db2.gz WTXAWGZQDCXVOY-PKNBQFBNSA-N -1 3 382.811 2.385 20 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/nfs/dbraw/zinc/05/43/34/608054334.db2.gz WTXIPJOZRYLNLN-UHFFFAOYSA-N -1 3 386.412 2.257 20 50 GEGDHM CCOc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825631542 608093651 /nfs/dbraw/zinc/09/36/51/608093651.db2.gz CWVSAZAMYJLQJT-UHFFFAOYSA-N -1 3 386.437 2.490 20 50 GEGDHM CC(C)CC(=O)NNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824228792 608356118 /nfs/dbraw/zinc/35/61/18/608356118.db2.gz LAKCOGKSORRSLY-UHFFFAOYSA-N -1 3 393.451 2.410 20 50 GEGDHM CC(C)CC(=O)NNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824228792 608356120 /nfs/dbraw/zinc/35/61/20/608356120.db2.gz LAKCOGKSORRSLY-UHFFFAOYSA-N -1 3 393.451 2.410 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)Nc2cc3n[nH]cc3c(C)c2)cc(-c2nn[n-]n2)n1C ZINC000826269654 608384593 /nfs/dbraw/zinc/38/45/93/608384593.db2.gz SHNDKGLTWLSRMO-ACAGNQJTSA-N -1 3 387.407 2.244 20 50 GEGDHM Cc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)nn1 ZINC000826260056 608470953 /nfs/dbraw/zinc/47/09/53/608470953.db2.gz TXLTYHTWKJNQHA-UHFFFAOYSA-N -1 3 378.318 2.049 20 50 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397.483 2.273 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NC2CCC(OC(C)C)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235917 607768837 /nfs/dbraw/zinc/76/88/37/607768837.db2.gz UOWIUGPAVNUUBO-DHDCSXOGSA-N -1 3 397.483 2.273 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1csc2cncn21 ZINC000823280953 606436783 /nfs/dbraw/zinc/43/67/83/606436783.db2.gz JSJKYVZGSATPDZ-UHFFFAOYSA-N -1 3 394.342 2.352 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1csc2cncn21 ZINC000823280953 606436784 /nfs/dbraw/zinc/43/67/84/606436784.db2.gz JSJKYVZGSATPDZ-UHFFFAOYSA-N -1 3 394.342 2.352 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NCCCSCC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235610 607917074 /nfs/dbraw/zinc/91/70/74/607917074.db2.gz NDTGLOKDACKSHY-NVNXTCNLSA-N -1 3 387.513 2.316 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NCCCSCC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235610 607917075 /nfs/dbraw/zinc/91/70/75/607917075.db2.gz NDTGLOKDACKSHY-NVNXTCNLSA-N -1 3 387.513 2.316 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(C(F)(F)F)CC2)cc(-c2nnn[n-]2)n1C ZINC000826236027 607956589 /nfs/dbraw/zinc/95/65/89/607956589.db2.gz XAPBOEBBFJESKH-GHXNOFRVSA-N -1 3 391.357 2.142 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC=C(C(F)(F)F)CC2)cc(-c2nn[n-]n2)n1C ZINC000826236027 607956590 /nfs/dbraw/zinc/95/65/90/607956590.db2.gz XAPBOEBBFJESKH-GHXNOFRVSA-N -1 3 391.357 2.142 20 50 GEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CCc2ccc(Cl)cc21 ZINC000826417031 608092161 /nfs/dbraw/zinc/09/21/61/608092161.db2.gz AVMSIWZORKFYPA-UHFFFAOYSA-N -1 3 382.811 2.366 20 50 GEGDHM CC(=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823942497 608094106 /nfs/dbraw/zinc/09/41/06/608094106.db2.gz DIGWWOVROIXGFT-UHFFFAOYSA-N -1 3 383.437 2.024 20 50 GEGDHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824967865 608099302 /nfs/dbraw/zinc/09/93/02/608099302.db2.gz NSESZZQILGNTET-PXAZEXFGSA-N -1 3 391.435 2.134 20 50 GEGDHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824967865 608099303 /nfs/dbraw/zinc/09/93/03/608099303.db2.gz NSESZZQILGNTET-PXAZEXFGSA-N -1 3 391.435 2.134 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cnccc2C)cc(-c2nnn[n-]2)n1C ZINC000826315114 608201689 /nfs/dbraw/zinc/20/16/89/608201689.db2.gz YQDYRXCEPYTZEX-QNKXHIPISA-N -1 3 376.424 2.001 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2cnccc2C)cc(-c2nn[n-]n2)n1C ZINC000826315114 608201690 /nfs/dbraw/zinc/20/16/90/608201690.db2.gz YQDYRXCEPYTZEX-QNKXHIPISA-N -1 3 376.424 2.001 20 50 GEGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc2c1OCCO2 ZINC000826178542 608216464 /nfs/dbraw/zinc/21/64/64/608216464.db2.gz BXDBIZYDPRGOKW-CHHVJCJISA-N -1 3 389.371 2.436 20 50 GEGDHM COc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc2c1OCCO2 ZINC000826178542 608216465 /nfs/dbraw/zinc/21/64/65/608216465.db2.gz BXDBIZYDPRGOKW-CHHVJCJISA-N -1 3 389.371 2.436 20 50 GEGDHM CCOc1ccc(C(C)=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825632114 608228995 /nfs/dbraw/zinc/22/89/95/608228995.db2.gz LJRWXWGZARVZOO-UHFFFAOYSA-N -1 3 395.379 2.328 20 50 GEGDHM CCOc1ccc(C(C)=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825632114 608228997 /nfs/dbraw/zinc/22/89/97/608228997.db2.gz LJRWXWGZARVZOO-UHFFFAOYSA-N -1 3 395.379 2.328 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826448037 608273559 /nfs/dbraw/zinc/27/35/59/608273559.db2.gz FONZRLBSZJGQHF-WBVHZDCISA-N -1 3 379.424 2.271 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826448037 608273560 /nfs/dbraw/zinc/27/35/60/608273560.db2.gz FONZRLBSZJGQHF-WBVHZDCISA-N -1 3 379.424 2.271 20 50 GEGDHM Cc1ccc([C@](O)(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C(F)(F)F)o1 ZINC000826284216 608318756 /nfs/dbraw/zinc/31/87/56/608318756.db2.gz NHCRVMKLVRDDCV-OAHLLOKOSA-N -1 3 396.329 2.051 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cnoc2C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235173 608318877 /nfs/dbraw/zinc/31/88/77/608318877.db2.gz DOJGFWDPKPIVAN-ACAGNQJTSA-N -1 3 379.380 2.029 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cnoc2C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235173 608318879 /nfs/dbraw/zinc/31/88/79/608318879.db2.gz DOJGFWDPKPIVAN-ACAGNQJTSA-N -1 3 379.380 2.029 20 50 GEGDHM Cc1ccsc1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826316563 608324297 /nfs/dbraw/zinc/32/42/97/608324297.db2.gz RUOKJCKORQLCJA-RIYZIHGNSA-N -1 3 381.465 2.149 20 50 GEGDHM Cc1ccsc1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826316563 608324298 /nfs/dbraw/zinc/32/42/98/608324298.db2.gz RUOKJCKORQLCJA-RIYZIHGNSA-N -1 3 381.465 2.149 20 50 GEGDHM Cc1ccsc1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826316564 608324321 /nfs/dbraw/zinc/32/43/21/608324321.db2.gz RUOKJCKORQLCJA-ZSOIEALJSA-N -1 3 381.465 2.149 20 50 GEGDHM Cc1ccsc1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826316564 608324323 /nfs/dbraw/zinc/32/43/23/608324323.db2.gz RUOKJCKORQLCJA-ZSOIEALJSA-N -1 3 381.465 2.149 20 50 GEGDHM COC[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000826151230 608360502 /nfs/dbraw/zinc/36/05/02/608360502.db2.gz WTPKGZOHYZTDQV-HNNXBMFYSA-N -1 3 389.366 2.159 20 50 GEGDHM COC[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC000826151230 608360504 /nfs/dbraw/zinc/36/05/04/608360504.db2.gz WTPKGZOHYZTDQV-HNNXBMFYSA-N -1 3 389.366 2.159 20 50 GEGDHM N#CC1=CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380945 608387644 /nfs/dbraw/zinc/38/76/44/608387644.db2.gz RFIMPFBDRZZZRD-UHFFFAOYSA-N -1 3 376.376 2.335 20 50 GEGDHM N#CC1=CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380945 608387646 /nfs/dbraw/zinc/38/76/46/608387646.db2.gz RFIMPFBDRZZZRD-UHFFFAOYSA-N -1 3 376.376 2.335 20 50 GEGDHM O=C(NNC(=O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826445124 608490560 /nfs/dbraw/zinc/49/05/60/608490560.db2.gz HOFAYNQLCWKYEB-UHFFFAOYSA-N -1 3 391.313 2.352 20 50 GEGDHM O=C(NNC(=O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826445124 608490562 /nfs/dbraw/zinc/49/05/62/608490562.db2.gz HOFAYNQLCWKYEB-UHFFFAOYSA-N -1 3 391.313 2.352 20 50 GEGDHM Cc1cc(C(=O)NNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)o1 ZINC000826259899 608549126 /nfs/dbraw/zinc/54/91/26/608549126.db2.gz LLVCZLONFXPEIX-UHFFFAOYSA-N -1 3 375.776 2.196 20 50 GEGDHM Cc1cc(C(=O)NNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)o1 ZINC000826259899 608549129 /nfs/dbraw/zinc/54/91/29/608549129.db2.gz LLVCZLONFXPEIX-UHFFFAOYSA-N -1 3 375.776 2.196 20 50 GEGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000824071125 608806773 /nfs/dbraw/zinc/80/67/73/608806773.db2.gz GFGIPEJKQIQWBW-UHFFFAOYSA-N -1 3 396.411 2.253 20 50 GEGDHM CC(C)(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824071125 608806775 /nfs/dbraw/zinc/80/67/75/608806775.db2.gz GFGIPEJKQIQWBW-UHFFFAOYSA-N -1 3 396.411 2.253 20 50 GEGDHM CCOc1ccccc1OCC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825659147 609157631 /nfs/dbraw/zinc/15/76/31/609157631.db2.gz OZLCVYPZYWZXEF-UHFFFAOYSA-N -1 3 398.398 2.324 20 50 GEGDHM CCOc1ccccc1OCC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825659147 609157633 /nfs/dbraw/zinc/15/76/33/609157633.db2.gz OZLCVYPZYWZXEF-UHFFFAOYSA-N -1 3 398.398 2.324 20 50 GEGDHM COc1ccc(CCC(=O)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826191413 609160242 /nfs/dbraw/zinc/16/02/42/609160242.db2.gz GLZSEHOGHHWYDU-UHFFFAOYSA-N -1 3 382.399 2.487 20 50 GEGDHM COc1ccc(CCC(=O)NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826191413 609160243 /nfs/dbraw/zinc/16/02/43/609160243.db2.gz GLZSEHOGHHWYDU-UHFFFAOYSA-N -1 3 382.399 2.487 20 50 GEGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444945 609259073 /nfs/dbraw/zinc/25/90/73/609259073.db2.gz AEBLLDDTQPHYHA-ZDUSSCGKSA-N -1 3 397.197 2.489 20 50 GEGDHM O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444945 609259074 /nfs/dbraw/zinc/25/90/74/609259074.db2.gz AEBLLDDTQPHYHA-ZDUSSCGKSA-N -1 3 397.197 2.489 20 50 GEGDHM CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948547 609275226 /nfs/dbraw/zinc/27/52/26/609275226.db2.gz RJCJXRKPIBJDKY-NSHDSACASA-N -1 3 386.362 2.453 20 50 GEGDHM CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948547 609275228 /nfs/dbraw/zinc/27/52/28/609275228.db2.gz RJCJXRKPIBJDKY-NSHDSACASA-N -1 3 386.362 2.453 20 50 GEGDHM Cn1cc(C=C(C#N)C(=O)NC2CCCC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360065 609303376 /nfs/dbraw/zinc/30/33/76/609303376.db2.gz WMRGRTIIMUGSLQ-GDNBJRDFSA-N -1 3 388.435 2.233 20 50 GEGDHM Cn1cc(C=C(C#N)C(=O)NC2CCCC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360065 609303377 /nfs/dbraw/zinc/30/33/77/609303377.db2.gz WMRGRTIIMUGSLQ-GDNBJRDFSA-N -1 3 388.435 2.233 20 50 GEGDHM O=C(NNc1ncc(F)cn1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826450074 609393268 /nfs/dbraw/zinc/39/32/68/609393268.db2.gz WFFJMZCPCNNMIJ-UHFFFAOYSA-N -1 3 392.354 2.345 20 50 GEGDHM O=C(NNc1ncc(F)cn1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826450074 609393270 /nfs/dbraw/zinc/39/32/70/609393270.db2.gz WFFJMZCPCNNMIJ-UHFFFAOYSA-N -1 3 392.354 2.345 20 50 GEGDHM CCc1noc(C2CCC(=NNC(=O)c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000825775963 609412681 /nfs/dbraw/zinc/41/26/81/609412681.db2.gz AULLAJZNZMSYPJ-UHFFFAOYSA-N -1 3 380.412 2.256 20 50 GEGDHM CCc1noc(C2CCC(=NNC(=O)c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000825775963 609412683 /nfs/dbraw/zinc/41/26/83/609412683.db2.gz AULLAJZNZMSYPJ-UHFFFAOYSA-N -1 3 380.412 2.256 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc(-c2nnn[n-]2)n1C ZINC000826236024 609434034 /nfs/dbraw/zinc/43/40/34/609434034.db2.gz WZDHRJXTOBOOSX-DANKLWCWSA-N -1 3 379.468 2.459 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc(-c2nn[n-]n2)n1C ZINC000826236024 609434037 /nfs/dbraw/zinc/43/40/37/609434037.db2.gz WZDHRJXTOBOOSX-DANKLWCWSA-N -1 3 379.468 2.459 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc(-c2nnn[n-]2)n1C ZINC000826236023 609434507 /nfs/dbraw/zinc/43/45/07/609434507.db2.gz WZDHRJXTOBOOSX-CNDIZMPLSA-N -1 3 379.468 2.459 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc(-c2nn[n-]n2)n1C ZINC000826236023 609434508 /nfs/dbraw/zinc/43/45/08/609434508.db2.gz WZDHRJXTOBOOSX-CNDIZMPLSA-N -1 3 379.468 2.459 20 50 GEGDHM CCn1cc(Br)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 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20 50 GEGDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NNc1cccc(F)c1 ZINC000826405309 607339754 /nfs/dbraw/zinc/33/97/54/607339754.db2.gz AYHLBMQTXCYGMF-UHFFFAOYSA-N -1 3 383.387 2.258 20 50 GEGDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NNc1cccc(F)c1 ZINC000826405309 607339756 /nfs/dbraw/zinc/33/97/56/607339756.db2.gz AYHLBMQTXCYGMF-UHFFFAOYSA-N -1 3 383.387 2.258 20 50 GEGDHM COc1ccc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000826189692 607343162 /nfs/dbraw/zinc/34/31/62/607343162.db2.gz BNQVAAYTTKTFMW-UHFFFAOYSA-N -1 3 394.435 2.067 20 50 GEGDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c12 ZINC000826334344 607349267 /nfs/dbraw/zinc/34/92/67/607349267.db2.gz RCBMILPFUNAONA-UHFFFAOYSA-N -1 3 389.423 2.091 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000826447148 607355907 /nfs/dbraw/zinc/35/59/07/607355907.db2.gz QBGGABPJESCDFM-QGZVFWFLSA-N -1 3 380.408 2.181 20 50 GEGDHM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824104830 607354604 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CNc1ncc(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000826099147 608171074 /nfs/dbraw/zinc/17/10/74/608171074.db2.gz ZSXIJKOMAKXURR-UHFFFAOYSA-N -1 3 384.347 2.141 20 50 GEGDHM COc1ccc(C=C(C#N)C(=O)c2cccc3c2OCCO3)cc1-c1nnn[n-]1 ZINC000826190411 608213251 /nfs/dbraw/zinc/21/32/51/608213251.db2.gz AAUDTBBQTYCVJW-UKTHLTGXSA-N -1 3 389.371 2.436 20 50 GEGDHM COc1ccc(C=C(C#N)C(=O)c2cccc3c2OCCO3)cc1-c1nn[n-]n1 ZINC000826190411 608213253 /nfs/dbraw/zinc/21/32/53/608213253.db2.gz AAUDTBBQTYCVJW-UKTHLTGXSA-N -1 3 389.371 2.436 20 50 GEGDHM CS(=O)(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826224082 608216369 /nfs/dbraw/zinc/21/63/69/608216369.db2.gz NOVRXOFVPWLDQE-DHDCSXOGSA-N -1 3 379.401 2.060 20 50 GEGDHM CS(=O)(=O)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826224082 608216371 /nfs/dbraw/zinc/21/63/71/608216371.db2.gz NOVRXOFVPWLDQE-DHDCSXOGSA-N -1 3 379.401 2.060 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000826448034 608273374 /nfs/dbraw/zinc/27/33/74/608273374.db2.gz FONZRLBSZJGQHF-DOTOQJQBSA-N -1 3 379.424 2.271 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000826448034 608273376 /nfs/dbraw/zinc/27/33/76/608273376.db2.gz FONZRLBSZJGQHF-DOTOQJQBSA-N -1 3 379.424 2.271 20 50 GEGDHM O=C(CCc1cc2ccccc2[nH]c1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408226 608471784 /nfs/dbraw/zinc/47/17/84/608471784.db2.gz WCNDKCQQDVANMO-UHFFFAOYSA-N -1 3 375.392 2.196 20 50 GEGDHM O=C(CCc1cc2ccccc2[nH]c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408226 608471786 /nfs/dbraw/zinc/47/17/86/608471786.db2.gz WCNDKCQQDVANMO-UHFFFAOYSA-N -1 3 375.392 2.196 20 50 GEGDHM CC(C)(C)OC(=O)C1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824094414 608533406 /nfs/dbraw/zinc/53/34/06/608533406.db2.gz UWBYFGPLFTUTBO-UHFFFAOYSA-N -1 3 384.440 2.484 20 50 GEGDHM CC(C)(C)OC(=O)C1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824094414 608533407 /nfs/dbraw/zinc/53/34/07/608533407.db2.gz UWBYFGPLFTUTBO-UHFFFAOYSA-N -1 3 384.440 2.484 20 50 GEGDHM Cn1cc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(-c2cccs2)n1 ZINC000826360166 608752849 /nfs/dbraw/zinc/75/28/49/608752849.db2.gz ZLTBSJXHVGXITJ-UHFFFAOYSA-N -1 3 378.421 2.093 20 50 GEGDHM Cn1cc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2cccs2)n1 ZINC000826360166 608752852 /nfs/dbraw/zinc/75/28/52/608752852.db2.gz ZLTBSJXHVGXITJ-UHFFFAOYSA-N -1 3 378.421 2.093 20 50 GEGDHM CC(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824185417 608842868 /nfs/dbraw/zinc/84/28/68/608842868.db2.gz ZEMCQBUIVWAANR-UHFFFAOYSA-N -1 3 381.396 2.468 20 50 GEGDHM CC(C)C(=O)NNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824185417 608842870 /nfs/dbraw/zinc/84/28/70/608842870.db2.gz ZEMCQBUIVWAANR-UHFFFAOYSA-N -1 3 381.396 2.468 20 50 GEGDHM CON(Cc1ccccc1)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826166604 609263789 /nfs/dbraw/zinc/26/37/89/609263789.db2.gz SNHZAQOQXZCPSG-SXGWCWSVSA-N -1 3 377.408 2.011 20 50 GEGDHM CON(Cc1ccccc1)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826166604 609263790 /nfs/dbraw/zinc/26/37/90/609263790.db2.gz SNHZAQOQXZCPSG-SXGWCWSVSA-N -1 3 377.408 2.011 20 50 GEGDHM CC(=NNC(=O)c1c(C)nc2ccccn21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948801 609275252 /nfs/dbraw/zinc/27/52/52/609275252.db2.gz YRXINHOKHBLZSI-UHFFFAOYSA-N -1 3 378.371 2.116 20 50 GEGDHM CC(=NNC(=O)c1c(C)nc2ccccn21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948801 609275255 /nfs/dbraw/zinc/27/52/55/609275255.db2.gz YRXINHOKHBLZSI-UHFFFAOYSA-N -1 3 378.371 2.116 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2Cl)c1 ZINC000826449556 607334758 /nfs/dbraw/zinc/33/47/58/607334758.db2.gz YPJSZKWKCUOUCI-UHFFFAOYSA-N -1 3 380.799 2.463 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2Cl)c1 ZINC000826449556 607334759 /nfs/dbraw/zinc/33/47/59/607334759.db2.gz YPJSZKWKCUOUCI-UHFFFAOYSA-N -1 3 380.799 2.463 20 50 GEGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNc1ccc(F)cc1Br ZINC000826421933 607339404 /nfs/dbraw/zinc/33/94/04/607339404.db2.gz GHJQHLOHZQWQBB-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNc1ccc(F)cc1Br ZINC000826421933 607339405 /nfs/dbraw/zinc/33/94/05/607339405.db2.gz GHJQHLOHZQWQBB-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(C#N)cc1 ZINC000824207217 607342438 /nfs/dbraw/zinc/34/24/38/607342438.db2.gz RTLHOWKDXJMSEP-QGZVFWFLSA-N -1 3 377.408 2.285 20 50 GEGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(C#N)cc1 ZINC000824207217 607342439 /nfs/dbraw/zinc/34/24/39/607342439.db2.gz RTLHOWKDXJMSEP-QGZVFWFLSA-N -1 3 377.408 2.285 20 50 GEGDHM COc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000826187141 607345301 /nfs/dbraw/zinc/34/53/01/607345301.db2.gz BVXVPQIVHPVPCX-UHFFFAOYSA-N -1 3 376.323 2.234 20 50 GEGDHM Cc1cc(C)n(-c2ccc(CC(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000826264925 607347867 /nfs/dbraw/zinc/34/78/67/607347867.db2.gz GALHHWDBDQXVGD-UHFFFAOYSA-N -1 3 388.435 2.355 20 50 GEGDHM CCOc1ccc(C(=O)CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825632082 607346729 /nfs/dbraw/zinc/34/67/29/607346729.db2.gz KOAOFQBFGCURSY-UHFFFAOYSA-N -1 3 380.408 2.372 20 50 GEGDHM CC(C)(C)C(=O)NCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824071781 607353601 /nfs/dbraw/zinc/35/36/01/607353601.db2.gz NBENGDOQVGDCCU-UHFFFAOYSA-N -1 3 393.451 2.286 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823277541 599434850 /nfs/dbraw/zinc/43/48/50/599434850.db2.gz PEXMPKNJTWVBNM-QGZVFWFLSA-N -1 3 391.435 2.352 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CC1CC1)c1ccccc1 ZINC000823277541 599434853 /nfs/dbraw/zinc/43/48/53/599434853.db2.gz PEXMPKNJTWVBNM-QGZVFWFLSA-N -1 3 391.435 2.352 20 50 GEGDHM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826447665 607397141 /nfs/dbraw/zinc/39/71/41/607397141.db2.gz QLVABSSSBHAIMB-UHFFFAOYSA-N -1 3 395.166 2.234 20 50 GEGDHM O=C(NNc1ccc([N+](=O)[O-])cc1Cl)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826447665 607397142 /nfs/dbraw/zinc/39/71/42/607397142.db2.gz QLVABSSSBHAIMB-UHFFFAOYSA-N -1 3 395.166 2.234 20 50 GEGDHM Cc1ccc(Nc2cccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2)nn1 ZINC000826291714 607715428 /nfs/dbraw/zinc/71/54/28/607715428.db2.gz SEQIQUKZFCVHHP-UHFFFAOYSA-N -1 3 387.407 2.466 20 50 GEGDHM Cc1ccc(Nc2cccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2)nn1 ZINC000826291714 607715430 /nfs/dbraw/zinc/71/54/30/607715430.db2.gz SEQIQUKZFCVHHP-UHFFFAOYSA-N -1 3 387.407 2.466 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000826447849 607717978 /nfs/dbraw/zinc/71/79/78/607717978.db2.gz YVGAUCIGBAYRLR-GOSISDBHSA-N -1 3 391.435 2.064 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000826447849 607717980 /nfs/dbraw/zinc/71/79/80/607717980.db2.gz YVGAUCIGBAYRLR-GOSISDBHSA-N -1 3 391.435 2.064 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000826449362 607718204 /nfs/dbraw/zinc/71/82/04/607718204.db2.gz OSOWCDILCWKRMZ-UHFFFAOYSA-N -1 3 378.421 2.098 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000826449362 607718206 /nfs/dbraw/zinc/71/82/06/607718206.db2.gz OSOWCDILCWKRMZ-UHFFFAOYSA-N -1 3 378.421 2.098 20 50 GEGDHM O=C(CCCc1nnc(-c2ccccc2)o1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406628 607722969 /nfs/dbraw/zinc/72/29/69/607722969.db2.gz GDKIHVZUNVIQCZ-UHFFFAOYSA-N -1 3 390.407 2.383 20 50 GEGDHM O=C(CCCc1nnc(-c2ccccc2)o1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406628 607722971 /nfs/dbraw/zinc/72/29/71/607722971.db2.gz GDKIHVZUNVIQCZ-UHFFFAOYSA-N -1 3 390.407 2.383 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000826448873 607723510 /nfs/dbraw/zinc/72/35/10/607723510.db2.gz PYSCGEYIKALWGM-UHFFFAOYSA-N -1 3 386.799 2.438 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000826448873 607723513 /nfs/dbraw/zinc/72/35/13/607723513.db2.gz PYSCGEYIKALWGM-UHFFFAOYSA-N -1 3 386.799 2.438 20 50 GEGDHM O=C(Cc1ccc(Br)s1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826422497 607726395 /nfs/dbraw/zinc/72/63/95/607726395.db2.gz BOVXJYKRHRJIRM-UHFFFAOYSA-N -1 3 379.243 2.377 20 50 GEGDHM O=C(Cc1ccc(Br)s1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826422497 607726397 /nfs/dbraw/zinc/72/63/97/607726397.db2.gz BOVXJYKRHRJIRM-UHFFFAOYSA-N -1 3 379.243 2.377 20 50 GEGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826187161 607729182 /nfs/dbraw/zinc/72/91/82/607729182.db2.gz CNAFMSDGUZSDSK-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826187161 607729183 /nfs/dbraw/zinc/72/91/83/607729183.db2.gz CNAFMSDGUZSDSK-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM COc1ccc(Br)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826186592 607731285 /nfs/dbraw/zinc/73/12/85/607731285.db2.gz AWCUIBIGFBXWNX-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM COc1ccc(Br)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826186592 607731287 /nfs/dbraw/zinc/73/12/87/607731287.db2.gz AWCUIBIGFBXWNX-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM O=C(COCc1nc2ccccc2s1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826416772 607731676 /nfs/dbraw/zinc/73/16/76/607731676.db2.gz 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GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 ZINC000826446133 607395586 /nfs/dbraw/zinc/39/55/86/607395586.db2.gz BBKNQJDJHCMSFU-UHFFFAOYSA-N -1 3 383.246 2.144 20 50 GEGDHM CC(C)N1CCN(c2ccc(C(=O)NNc3ccc(C(=O)[O-])cn3)cc2)CC1 ZINC000833498825 604804516 /nfs/dbraw/zinc/80/45/16/604804516.db2.gz HJMSMCQKQZTSQW-UHFFFAOYSA-N -1 3 383.452 2.067 20 50 GEGDHM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825234036 607722452 /nfs/dbraw/zinc/72/24/52/607722452.db2.gz VMOHSDXNCZLSNP-SFHVURJKSA-N -1 3 389.460 2.393 20 50 GEGDHM CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825234036 607722454 /nfs/dbraw/zinc/72/24/54/607722454.db2.gz VMOHSDXNCZLSNP-SFHVURJKSA-N -1 3 389.460 2.393 20 50 GEGDHM CC(=O)c1cccc(OCCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824029183 607723749 /nfs/dbraw/zinc/72/37/49/607723749.db2.gz GZWNQFLQZHYIHO-UHFFFAOYSA-N -1 3 380.408 2.372 20 50 GEGDHM CC(=O)c1cccc(OCCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824029183 607723751 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COc1cccc(C=C(C#N)C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214921 607360566 /nfs/dbraw/zinc/36/05/66/607360566.db2.gz AUFBHDDLWDNQMI-SXGWCWSVSA-N -1 3 389.371 2.208 20 50 GEGDHM COc1cccc(C=C(C#N)C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214921 607360568 /nfs/dbraw/zinc/36/05/68/607360568.db2.gz AUFBHDDLWDNQMI-SXGWCWSVSA-N -1 3 389.371 2.208 20 50 GEGDHM COc1cccc(C=C(C#N)C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215764 607360628 /nfs/dbraw/zinc/36/06/28/607360628.db2.gz YLHKCBJNTOZCGM-PXNMLYILSA-N -1 3 389.371 2.208 20 50 GEGDHM COc1cccc(C=C(C#N)C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215764 607360630 /nfs/dbraw/zinc/36/06/30/607360630.db2.gz YLHKCBJNTOZCGM-PXNMLYILSA-N -1 3 389.371 2.208 20 50 GEGDHM O=C(C=Cc1cccnc1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826403029 607394640 /nfs/dbraw/zinc/39/46/40/607394640.db2.gz IDVLUPIDQNBCAM-UTCJRWHESA-N -1 3 375.314 2.437 20 50 GEGDHM O=C(C=Cc1cccnc1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826403029 607394641 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ZINC000825012000 607650915 /nfs/dbraw/zinc/65/09/15/607650915.db2.gz CFQGAZRZHFOPEG-CYBMUJFWSA-N -1 3 392.419 2.194 20 50 GEGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2cnn(C(C)C)c2n1 ZINC000826259845 607715556 /nfs/dbraw/zinc/71/55/56/607715556.db2.gz JGZPHOKDMABWPB-UHFFFAOYSA-N -1 3 377.412 2.258 20 50 GEGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2cnn(C(C)C)c2n1 ZINC000826259845 607715558 /nfs/dbraw/zinc/71/55/58/607715558.db2.gz JGZPHOKDMABWPB-UHFFFAOYSA-N -1 3 377.412 2.258 20 50 GEGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1cccc(C#N)c1 ZINC000824207497 607716519 /nfs/dbraw/zinc/71/65/19/607716519.db2.gz XZOIBQWRFOOYSV-QGZVFWFLSA-N -1 3 377.408 2.285 20 50 GEGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1cccc(C#N)c1 ZINC000824207497 607716521 /nfs/dbraw/zinc/71/65/21/607716521.db2.gz XZOIBQWRFOOYSV-QGZVFWFLSA-N -1 3 377.408 2.285 20 50 GEGDHM CC(C)(C)OC(=O)N[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000824114510 607721964 /nfs/dbraw/zinc/72/19/64/607721964.db2.gz VJORENIJSKXLBT-CYBMUJFWSA-N -1 3 389.460 2.249 20 50 GEGDHM CC(C)(C)OC(=O)N[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000824114510 607721965 /nfs/dbraw/zinc/72/19/65/607721965.db2.gz VJORENIJSKXLBT-CYBMUJFWSA-N -1 3 389.460 2.249 20 50 GEGDHM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825059218 607725830 /nfs/dbraw/zinc/72/58/30/607725830.db2.gz DBNOAZBRSPMOIP-SMDDNHRTSA-N -1 3 389.460 2.249 20 50 GEGDHM CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825059218 607725832 /nfs/dbraw/zinc/72/58/32/607725832.db2.gz DBNOAZBRSPMOIP-SMDDNHRTSA-N -1 3 389.460 2.249 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1COC1CCOCC1 ZINC000826448796 607728837 /nfs/dbraw/zinc/72/88/37/607728837.db2.gz MGHSVDMZKWKSBA-UHFFFAOYSA-N -1 3 394.435 2.319 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1COC1CCOCC1 ZINC000826448796 607728839 /nfs/dbraw/zinc/72/88/39/607728839.db2.gz MGHSVDMZKWKSBA-UHFFFAOYSA-N -1 3 394.435 2.319 20 50 GEGDHM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825045325 607733219 /nfs/dbraw/zinc/73/32/19/607733219.db2.gz ZDEZSSRMUDSWKG-SFHVURJKSA-N -1 3 389.460 2.251 20 50 GEGDHM CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825045325 607733220 /nfs/dbraw/zinc/73/32/20/607733220.db2.gz ZDEZSSRMUDSWKG-SFHVURJKSA-N -1 3 389.460 2.251 20 50 GEGDHM O=C(Cc1ccc(Br)c(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826422291 607756536 /nfs/dbraw/zinc/75/65/36/607756536.db2.gz TXHGMEZRFITARB-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM O=C(Cc1ccc(Br)c(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826422291 607756537 /nfs/dbraw/zinc/75/65/37/607756537.db2.gz TXHGMEZRFITARB-UHFFFAOYSA-N -1 3 391.204 2.454 20 50 GEGDHM O=C(NNc1ccc(Br)cc1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823281389 606270699 /nfs/dbraw/zinc/27/06/99/606270699.db2.gz RONZHVGMHNGGSR-UHFFFAOYSA-N -1 3 382.609 2.368 20 50 GEGDHM O=C(NNc1ccc(Br)cc1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823281389 606270701 /nfs/dbraw/zinc/27/07/01/606270701.db2.gz RONZHVGMHNGGSR-UHFFFAOYSA-N -1 3 382.609 2.368 20 50 GEGDHM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825061072 607861863 /nfs/dbraw/zinc/86/18/63/607861863.db2.gz WEUUJHOOKCDDBK-FZMZJTMJSA-N -1 3 389.460 2.249 20 50 GEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=CCCCOc1ccccc1 ZINC000826417647 607882158 /nfs/dbraw/zinc/88/21/58/607882158.db2.gz YJZUYZAANQDUDW-UHFFFAOYSA-N -1 3 380.408 2.207 20 50 GEGDHM CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825643935 607882435 /nfs/dbraw/zinc/88/24/35/607882435.db2.gz XECFWBPATCVQLI-ZDUSSCGKSA-N -1 3 380.408 2.183 20 50 GEGDHM CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825643935 607882436 /nfs/dbraw/zinc/88/24/36/607882436.db2.gz XECFWBPATCVQLI-ZDUSSCGKSA-N -1 3 380.408 2.183 20 50 GEGDHM CC(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824184072 607893748 /nfs/dbraw/zinc/89/37/48/607893748.db2.gz DOJYEJWUDMWRIQ-MRXNPFEDSA-N -1 3 382.399 2.207 20 50 GEGDHM CC(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824184072 607893749 /nfs/dbraw/zinc/89/37/49/607893749.db2.gz DOJYEJWUDMWRIQ-MRXNPFEDSA-N -1 3 382.399 2.207 20 50 GEGDHM O=S(=O)(c1ccc(CCCl)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826494812 607933613 /nfs/dbraw/zinc/93/36/13/607933613.db2.gz QGOCTJGZNSBARO-UHFFFAOYSA-N -1 3 389.868 2.399 20 50 GEGDHM O=S(=O)(c1ccc(CCCl)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826494812 607933614 /nfs/dbraw/zinc/93/36/14/607933614.db2.gz QGOCTJGZNSBARO-UHFFFAOYSA-N -1 3 389.868 2.399 20 50 GEGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)c1c(C)noc1C ZINC000825133963 607957339 /nfs/dbraw/zinc/95/73/39/607957339.db2.gz QXJPFZGCBKFDMA-KEQVLUGWSA-N -1 3 394.439 2.293 20 50 GEGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)c1c(C)noc1C ZINC000825133963 607957340 /nfs/dbraw/zinc/95/73/40/607957340.db2.gz QXJPFZGCBKFDMA-KEQVLUGWSA-N -1 3 394.439 2.293 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000826448386 608108150 /nfs/dbraw/zinc/10/81/50/608108150.db2.gz SXORSYPYGWXABX-HNNXBMFYSA-N -1 3 396.430 2.301 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000826448386 608108151 /nfs/dbraw/zinc/10/81/51/608108151.db2.gz SXORSYPYGWXABX-HNNXBMFYSA-N -1 3 396.430 2.301 20 50 GEGDHM O=C(NCCc1nc2c(s1)CCCC2)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826440017 608260141 /nfs/dbraw/zinc/26/01/41/608260141.db2.gz UUFIBZTYSLLANY-UHFFFAOYSA-N -1 3 384.469 2.071 20 50 GEGDHM O=C(NCCc1nc2c(s1)CCCC2)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826440017 608260143 /nfs/dbraw/zinc/26/01/43/608260143.db2.gz UUFIBZTYSLLANY-UHFFFAOYSA-N -1 3 384.469 2.071 20 50 GEGDHM CCc1cnccc1[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825734670 608330931 /nfs/dbraw/zinc/33/09/31/608330931.db2.gz LZVXMQSSJREFMF-WIJRQFRKSA-N -1 3 390.451 2.255 20 50 GEGDHM CCc1cnccc1[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825734670 608330932 /nfs/dbraw/zinc/33/09/32/608330932.db2.gz LZVXMQSSJREFMF-WIJRQFRKSA-N -1 3 390.451 2.255 20 50 GEGDHM COc1cc(C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1[N+](=O)[O-] ZINC000826177870 608387095 /nfs/dbraw/zinc/38/70/95/608387095.db2.gz YWOXGMRFMXNMHL-MLPAPPSSSA-N -1 3 388.347 2.495 20 50 GEGDHM COc1cc(C(C#N)=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ccc1[N+](=O)[O-] ZINC000826177870 608387097 /nfs/dbraw/zinc/38/70/97/608387097.db2.gz YWOXGMRFMXNMHL-MLPAPPSSSA-N -1 3 388.347 2.495 20 50 GEGDHM O=C(NNC(=O)[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826444698 608589858 /nfs/dbraw/zinc/58/98/58/608589858.db2.gz QPFYUKQTCASSDY-AWEZNQCLSA-N -1 3 382.811 2.011 20 50 GEGDHM O=C(NNC(=O)[C@H]1CCc2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826444698 608589859 /nfs/dbraw/zinc/58/98/59/608589859.db2.gz QPFYUKQTCASSDY-AWEZNQCLSA-N -1 3 382.811 2.011 20 50 GEGDHM N#CC1=CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000826380469 609165441 /nfs/dbraw/zinc/16/54/41/609165441.db2.gz BNYSBOIJHDBZTO-UHFFFAOYSA-N -1 3 376.376 2.335 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000824136627 609179795 /nfs/dbraw/zinc/17/97/95/609179795.db2.gz SAIYPSLLLOGPKQ-UHFFFAOYSA-N -1 3 395.471 2.297 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824136627 609179796 /nfs/dbraw/zinc/17/97/96/609179796.db2.gz SAIYPSLLLOGPKQ-UHFFFAOYSA-N -1 3 395.471 2.297 20 50 GEGDHM O=C(NNc1cccc(C(F)(F)F)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449105 609254744 /nfs/dbraw/zinc/25/47/44/609254744.db2.gz BXCRJHNDTLXZIA-CYBMUJFWSA-N -1 3 378.314 2.062 20 50 GEGDHM O=C(NNc1cccc(C(F)(F)F)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449105 609254746 /nfs/dbraw/zinc/25/47/46/609254746.db2.gz BXCRJHNDTLXZIA-CYBMUJFWSA-N -1 3 378.314 2.062 20 50 GEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948546 609275527 /nfs/dbraw/zinc/27/55/27/609275527.db2.gz RJCJXRKPIBJDKY-LLVKDONJSA-N -1 3 386.362 2.453 20 50 GEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948546 609275529 /nfs/dbraw/zinc/27/55/29/609275529.db2.gz RJCJXRKPIBJDKY-LLVKDONJSA-N -1 3 386.362 2.453 20 50 GEGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NNc1cccc(C#N)c1 ZINC000826175692 607335683 /nfs/dbraw/zinc/33/56/83/607335683.db2.gz MYQCIJPSKRVPOD-UHFFFAOYSA-N -1 3 393.407 2.049 20 50 GEGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNc1cccc(C#N)c1 ZINC000826175692 607335685 /nfs/dbraw/zinc/33/56/85/607335685.db2.gz MYQCIJPSKRVPOD-UHFFFAOYSA-N -1 3 393.407 2.049 20 50 GEGDHM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824236047 607343996 /nfs/dbraw/zinc/34/39/96/607343996.db2.gz MBGMBDSTERSPLE-AWEZNQCLSA-N -1 3 389.460 2.249 20 50 GEGDHM O=C(Cc1cccc(OC(F)(F)F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423317 607344600 /nfs/dbraw/zinc/34/46/00/607344600.db2.gz ISRBUZYRFPKVEV-UHFFFAOYSA-N -1 3 378.314 2.451 20 50 GEGDHM CC(C)NC(=O)Nc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824305858 607345079 /nfs/dbraw/zinc/34/50/79/607345079.db2.gz VPGBGCGNLWHILJ-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM O=C(CCCNC(=O)OCc1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406477 607345830 /nfs/dbraw/zinc/34/58/30/607345830.db2.gz ZAAYWVHMVISLTL-UHFFFAOYSA-N -1 3 395.423 2.016 20 50 GEGDHM O=C(COc1cccc(C(F)(F)F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826418354 607348501 /nfs/dbraw/zinc/34/85/01/607348501.db2.gz CARLAMPYSYYSPY-UHFFFAOYSA-N -1 3 378.314 2.408 20 50 GEGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1F ZINC000826234728 607351331 /nfs/dbraw/zinc/35/13/31/607351331.db2.gz LHHINLMODXUSBU-UHFFFAOYSA-N -1 3 378.371 2.257 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000826447147 607355862 /nfs/dbraw/zinc/35/58/62/607355862.db2.gz QBGGABPJESCDFM-KRWDZBQOSA-N -1 3 380.408 2.181 20 50 GEGDHM Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826264169 607381553 /nfs/dbraw/zinc/38/15/53/607381553.db2.gz DXQMIXBFQWFMLO-UHFFFAOYSA-N -1 3 385.815 2.219 20 50 GEGDHM Cc1cc(C)cc(NNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826264169 607381555 /nfs/dbraw/zinc/38/15/55/607381555.db2.gz DXQMIXBFQWFMLO-UHFFFAOYSA-N -1 3 385.815 2.219 20 50 GEGDHM Cc1ccc(C)c(NNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000826285317 607381896 /nfs/dbraw/zinc/38/18/96/607381896.db2.gz VZICYGXMNVTRPH-UHFFFAOYSA-N -1 3 389.423 2.008 20 50 GEGDHM Cc1ccc(C)c(NNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c1 ZINC000826285317 607381898 /nfs/dbraw/zinc/38/18/98/607381898.db2.gz VZICYGXMNVTRPH-UHFFFAOYSA-N -1 3 389.423 2.008 20 50 GEGDHM CC(=O)NCCCCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823994670 607394365 /nfs/dbraw/zinc/39/43/65/607394365.db2.gz MFBZXNQZCZHZOJ-UHFFFAOYSA-N -1 3 399.377 2.025 20 50 GEGDHM CC(=O)NCCCCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823994670 607394366 /nfs/dbraw/zinc/39/43/66/607394366.db2.gz MFBZXNQZCZHZOJ-UHFFFAOYSA-N -1 3 399.377 2.025 20 50 GEGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNc1ccc(OCC(F)(F)F)cc1 ZINC000826423243 607396951 /nfs/dbraw/zinc/39/69/51/607396951.db2.gz FOVAQRGVHMELIZ-UHFFFAOYSA-N -1 3 392.341 2.494 20 50 GEGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1ccc(OCC(F)(F)F)cc1 ZINC000826423243 607396952 /nfs/dbraw/zinc/39/69/52/607396952.db2.gz FOVAQRGVHMELIZ-UHFFFAOYSA-N -1 3 392.341 2.494 20 50 GEGDHM CCC(CC)[C@H](CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000825095417 607633494 /nfs/dbraw/zinc/63/34/94/607633494.db2.gz GGHHHRHIGIHGJO-FJJYYWMZSA-N -1 3 399.499 2.378 20 50 GEGDHM CCC(CC)[C@H](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000825095417 607633495 /nfs/dbraw/zinc/63/34/95/607633495.db2.gz GGHHHRHIGIHGJO-FJJYYWMZSA-N -1 3 399.499 2.378 20 50 GEGDHM CCC(CC)[C@H](CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000825095415 607633606 /nfs/dbraw/zinc/63/36/06/607633606.db2.gz GGHHHRHIGIHGJO-BXBHGGAKSA-N -1 3 399.499 2.378 20 50 GEGDHM CCC(CC)[C@H](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000825095415 607633608 /nfs/dbraw/zinc/63/36/08/607633608.db2.gz GGHHHRHIGIHGJO-BXBHGGAKSA-N -1 3 399.499 2.378 20 50 GEGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000824384716 607713042 /nfs/dbraw/zinc/71/30/42/607713042.db2.gz GAIVGJCNVDNYRH-JTQLQIEISA-N -1 3 386.362 2.100 20 50 GEGDHM C[C@@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000824384716 607713044 /nfs/dbraw/zinc/71/30/44/607713044.db2.gz GAIVGJCNVDNYRH-JTQLQIEISA-N -1 3 386.362 2.100 20 50 GEGDHM CC(C)NC(=O)Nc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824305316 607720021 /nfs/dbraw/zinc/72/00/21/607720021.db2.gz NAKQSBGOIJBIQZ-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM CC(C)NC(=O)Nc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824305316 607720023 /nfs/dbraw/zinc/72/00/23/607720023.db2.gz NAKQSBGOIJBIQZ-UHFFFAOYSA-N -1 3 380.412 2.154 20 50 GEGDHM CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824005590 607721593 /nfs/dbraw/zinc/72/15/93/607721593.db2.gz YQAPDIJXRMDSLJ-LLVKDONJSA-N -1 3 397.464 2.449 20 50 GEGDHM CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824005590 607721595 /nfs/dbraw/zinc/72/15/95/607721595.db2.gz YQAPDIJXRMDSLJ-LLVKDONJSA-N -1 3 397.464 2.449 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000826448793 607721679 /nfs/dbraw/zinc/72/16/79/607721679.db2.gz MBNIVGXEBINJDC-UHFFFAOYSA-N -1 3 384.831 2.272 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000826448793 607721681 /nfs/dbraw/zinc/72/16/81/607721681.db2.gz MBNIVGXEBINJDC-UHFFFAOYSA-N -1 3 384.831 2.272 20 50 GEGDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824753535 607725701 /nfs/dbraw/zinc/72/57/01/607725701.db2.gz DTGBCFHYWSOGPX-SNVBAGLBSA-N -1 3 385.409 2.399 20 50 GEGDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824753535 607725702 /nfs/dbraw/zinc/72/57/02/607725702.db2.gz DTGBCFHYWSOGPX-SNVBAGLBSA-N -1 3 385.409 2.399 20 50 GEGDHM O=C(CCCNC(=O)c1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406273 607732009 /nfs/dbraw/zinc/73/20/09/607732009.db2.gz PCLYKLIKKIUOMT-UHFFFAOYSA-N -1 3 399.842 2.173 20 50 GEGDHM O=C(CCCNC(=O)c1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406273 607732010 /nfs/dbraw/zinc/73/20/10/607732010.db2.gz PCLYKLIKKIUOMT-UHFFFAOYSA-N -1 3 399.842 2.173 20 50 GEGDHM CC(C)=CC(=O)NCc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824177350 607732654 /nfs/dbraw/zinc/73/26/54/607732654.db2.gz HIQJLZDXWGWVHO-UHFFFAOYSA-N -1 3 391.435 2.206 20 50 GEGDHM CC(C)=CC(=O)NCc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824177350 607732656 /nfs/dbraw/zinc/73/26/56/607732656.db2.gz HIQJLZDXWGWVHO-UHFFFAOYSA-N -1 3 391.435 2.206 20 50 GEGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)c1c(C)noc1C ZINC000825133967 607957351 /nfs/dbraw/zinc/95/73/51/607957351.db2.gz QXJPFZGCBKFDMA-XIEDVDOYSA-N -1 3 394.439 2.293 20 50 GEGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)c1c(C)noc1C ZINC000825133967 607957352 /nfs/dbraw/zinc/95/73/52/607957352.db2.gz QXJPFZGCBKFDMA-XIEDVDOYSA-N -1 3 394.439 2.293 20 50 GEGDHM Cn1cc(-c2ccccc2CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826356535 607994968 /nfs/dbraw/zinc/99/49/68/607994968.db2.gz VJJILPZEVBNVNL-UHFFFAOYSA-N -1 3 389.423 2.094 20 50 GEGDHM Cn1cc(-c2ccccc2CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826356535 607994969 /nfs/dbraw/zinc/99/49/69/607994969.db2.gz VJJILPZEVBNVNL-UHFFFAOYSA-N -1 3 389.423 2.094 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cnc(Cl)s2)cc(-c2nn[n-]n2)n1C ZINC000826235039 608028117 /nfs/dbraw/zinc/02/81/17/608028117.db2.gz AEGGUBLYZLBQFG-XCVCLJGOSA-N -1 3 389.828 2.274 20 50 GEGDHM COc1ccc(COCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826206867 608031466 /nfs/dbraw/zinc/03/14/66/608031466.db2.gz OQPRBDUUMRVDIR-UHFFFAOYSA-N -1 3 382.424 2.315 20 50 GEGDHM O=C(COc1ccccc1Br)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826419467 608199026 /nfs/dbraw/zinc/19/90/26/608199026.db2.gz YTIUWAWNWCOACK-UHFFFAOYSA-N -1 3 389.213 2.151 20 50 GEGDHM O=C(COc1ccccc1Br)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826419467 608199028 /nfs/dbraw/zinc/19/90/28/608199028.db2.gz YTIUWAWNWCOACK-UHFFFAOYSA-N -1 3 389.213 2.151 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235897 608200749 /nfs/dbraw/zinc/20/07/49/608200749.db2.gz UFUFGXLBVNQQTK-WPBJZHHJSA-N -1 3 379.468 2.459 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235897 608200750 /nfs/dbraw/zinc/20/07/50/608200750.db2.gz UFUFGXLBVNQQTK-WPBJZHHJSA-N -1 3 379.468 2.459 20 50 GEGDHM CCN(C(C)=O)c1nc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825390840 608218171 /nfs/dbraw/zinc/21/81/71/608218171.db2.gz NQBFJFZJYHLHNC-ZSOIEALJSA-N -1 3 393.432 2.486 20 50 GEGDHM CCN(C(C)=O)c1nc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825390840 608218172 /nfs/dbraw/zinc/21/81/72/608218172.db2.gz NQBFJFZJYHLHNC-ZSOIEALJSA-N -1 3 393.432 2.486 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc(C#N)n1C ZINC000826235626 608440065 /nfs/dbraw/zinc/44/00/65/608440065.db2.gz NPSFUOADUKYUEO-NSIKDUERSA-N -1 3 391.366 2.175 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc(C#N)n1C ZINC000826235626 608440067 /nfs/dbraw/zinc/44/00/67/608440067.db2.gz NPSFUOADUKYUEO-NSIKDUERSA-N -1 3 391.366 2.175 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc3c(c2)COC3)cc(-c2nnn[n-]2)n1C ZINC000826235539 608642553 /nfs/dbraw/zinc/64/25/53/608642553.db2.gz LPLCVQRNYAAYTJ-RZNTYIFUSA-N -1 3 375.392 2.090 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)Nc2ccc3c(c2)COC3)cc(-c2nn[n-]n2)n1C ZINC000826235539 608642555 /nfs/dbraw/zinc/64/25/55/608642555.db2.gz LPLCVQRNYAAYTJ-RZNTYIFUSA-N -1 3 375.392 2.090 20 50 GEGDHM CCOC(=O)Cc1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825517429 608812312 /nfs/dbraw/zinc/81/23/12/608812312.db2.gz DKEDBMQQZDBQHX-UHFFFAOYSA-N -1 3 381.396 2.121 20 50 GEGDHM CCOC(=O)Cc1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825517429 608812315 /nfs/dbraw/zinc/81/23/15/608812315.db2.gz DKEDBMQQZDBQHX-UHFFFAOYSA-N -1 3 381.396 2.121 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000826448318 608815759 /nfs/dbraw/zinc/81/57/59/608815759.db2.gz QPSYBWGIZRSLGO-MRXNPFEDSA-N -1 3 381.396 2.183 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000826448318 608815762 /nfs/dbraw/zinc/81/57/62/608815762.db2.gz QPSYBWGIZRSLGO-MRXNPFEDSA-N -1 3 381.396 2.183 20 50 GEGDHM CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948399 609157447 /nfs/dbraw/zinc/15/74/47/609157447.db2.gz KTELHIXXBJGNME-UHFFFAOYSA-N -1 3 393.426 2.299 20 50 GEGDHM CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948399 609157448 /nfs/dbraw/zinc/15/74/48/609157448.db2.gz KTELHIXXBJGNME-UHFFFAOYSA-N -1 3 393.426 2.299 20 50 GEGDHM O=C(NNc1ccccc1C(F)(F)F)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449207 609192635 /nfs/dbraw/zinc/19/26/35/609192635.db2.gz HAZDNIKJGGTITM-CYBMUJFWSA-N -1 3 378.314 2.062 20 50 GEGDHM O=C(NNc1ccccc1C(F)(F)F)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449207 609192636 /nfs/dbraw/zinc/19/26/36/609192636.db2.gz HAZDNIKJGGTITM-CYBMUJFWSA-N -1 3 378.314 2.062 20 50 GEGDHM O=C(NNc1ccccn1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826449193 609263536 /nfs/dbraw/zinc/26/35/36/609263536.db2.gz GKOSNMKCWBNUSA-UHFFFAOYSA-N -1 3 377.364 2.191 20 50 GEGDHM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000826187508 609277614 /nfs/dbraw/zinc/27/76/14/609277614.db2.gz SZDCAOLAVUVUAX-UHFFFAOYSA-N -1 3 384.371 2.177 20 50 GEGDHM COc1ccc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000826187508 609277616 /nfs/dbraw/zinc/27/76/16/609277616.db2.gz SZDCAOLAVUVUAX-UHFFFAOYSA-N -1 3 384.371 2.177 20 50 GEGDHM CC[C@@H](C)Oc1cc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000825076628 609284622 /nfs/dbraw/zinc/28/46/22/609284622.db2.gz WYGKRYOWZHQGNJ-GFCCVEGCSA-N -1 3 382.428 2.265 20 50 GEGDHM CC[C@@H](C)Oc1cc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000825076628 609284624 /nfs/dbraw/zinc/28/46/24/609284624.db2.gz WYGKRYOWZHQGNJ-GFCCVEGCSA-N -1 3 382.428 2.265 20 50 GEGDHM O=C(NNc1ccccc1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826449169 609359951 /nfs/dbraw/zinc/35/99/51/609359951.db2.gz FIVBVSIBNPMNMZ-UHFFFAOYSA-N -1 3 379.359 2.340 20 50 GEGDHM CC(C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824228303 609368304 /nfs/dbraw/zinc/36/83/04/609368304.db2.gz HHFQLPIUQPOIEM-UHFFFAOYSA-N -1 3 380.408 2.466 20 50 GEGDHM CC(C)CC(=O)NNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824228303 609368306 /nfs/dbraw/zinc/36/83/06/609368306.db2.gz HHFQLPIUQPOIEM-UHFFFAOYSA-N -1 3 380.408 2.466 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000826446794 609498467 /nfs/dbraw/zinc/49/84/67/609498467.db2.gz YPPIDFKIQNWOTR-UHFFFAOYSA-N -1 3 377.191 2.500 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000826446794 609498470 /nfs/dbraw/zinc/49/84/70/609498470.db2.gz YPPIDFKIQNWOTR-UHFFFAOYSA-N -1 3 377.191 2.500 20 50 GEGDHM CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825643804 607337342 /nfs/dbraw/zinc/33/73/42/607337342.db2.gz VUMAIZKSAOGOAS-UHFFFAOYSA-N -1 3 397.464 2.205 20 50 GEGDHM CCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825643804 607337344 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607981751 /nfs/dbraw/zinc/98/17/51/607981751.db2.gz JRZNJIMVFIGXEG-FLIBITNWSA-N -1 3 382.811 2.385 20 50 GEGDHM Cc1ccc(-c2nc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cs2)n1C ZINC000826273557 607995615 /nfs/dbraw/zinc/99/56/15/607995615.db2.gz JFKAFLMIJIGXSR-UHFFFAOYSA-N -1 3 380.437 2.394 20 50 GEGDHM Cc1ccc(-c2nc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cs2)n1C ZINC000826273557 607995616 /nfs/dbraw/zinc/99/56/16/607995616.db2.gz JFKAFLMIJIGXSR-UHFFFAOYSA-N -1 3 380.437 2.394 20 50 GEGDHM CCc1ccc(O)c(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000825717497 607999476 /nfs/dbraw/zinc/99/94/76/607999476.db2.gz NEOQGXHFIMQZPS-ZSOIEALJSA-N -1 3 377.408 2.327 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cnccc2C)cc(-c2nnn[n-]2)n1C ZINC000826315113 608201622 /nfs/dbraw/zinc/20/16/22/608201622.db2.gz YQDYRXCEPYTZEX-IWTIEGKHSA-N -1 3 376.424 2.001 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2cnccc2C)cc(-c2nn[n-]n2)n1C ZINC000826315113 608201623 /nfs/dbraw/zinc/20/16/23/608201623.db2.gz YQDYRXCEPYTZEX-IWTIEGKHSA-N -1 3 376.424 2.001 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826446210 608203671 /nfs/dbraw/zinc/20/36/71/608203671.db2.gz DDVHZGQHSBYBHL-ZDUSSCGKSA-N -1 3 379.207 2.350 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000826448036 608273499 /nfs/dbraw/zinc/27/34/99/608273499.db2.gz FONZRLBSZJGQHF-RDJZCZTQSA-N -1 3 379.424 2.271 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000826448036 608273500 /nfs/dbraw/zinc/27/35/00/608273500.db2.gz FONZRLBSZJGQHF-RDJZCZTQSA-N -1 3 379.424 2.271 20 50 GEGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826445218 608311990 /nfs/dbraw/zinc/31/19/90/608311990.db2.gz LDXCDGOWISKAEH-INIZCTEOSA-N -1 3 395.398 2.027 20 50 GEGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000826445218 608311992 /nfs/dbraw/zinc/31/19/92/608311992.db2.gz LDXCDGOWISKAEH-INIZCTEOSA-N -1 3 395.398 2.027 20 50 GEGDHM Cc1nn2c(C=NNC(=O)c3ccc(-c4nn[n-]n4)cc3)c(C(C)C)nc2s1 ZINC000826334715 608318959 /nfs/dbraw/zinc/31/89/59/608318959.db2.gz GTZUKOVRVCPIFP-UHFFFAOYSA-N -1 3 395.452 2.167 20 50 GEGDHM O=C(NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)NNc1cccnn1 ZINC000826440817 608359248 /nfs/dbraw/zinc/35/92/48/608359248.db2.gz BIVBUUZLAUQSSF-UHFFFAOYSA-N -1 3 387.407 2.150 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cccc(C#N)c2F)cc(-c2nnn[n-]2)n1C ZINC000826235512 608439872 /nfs/dbraw/zinc/43/98/72/608439872.db2.gz LFOOSTWAUBRBRH-UUASQNMZSA-N -1 3 391.366 2.175 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cccc(C#N)c2F)cc(-c2nn[n-]n2)n1C ZINC000826235512 608439873 /nfs/dbraw/zinc/43/98/73/608439873.db2.gz LFOOSTWAUBRBRH-UUASQNMZSA-N -1 3 391.366 2.175 20 50 GEGDHM CCNC(=O)N(C)N=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825471568 608753559 /nfs/dbraw/zinc/75/35/59/608753559.db2.gz WRLNPQHMQLGDHI-UHFFFAOYSA-N -1 3 379.424 2.441 20 50 GEGDHM CCNC(=O)N(C)N=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825471568 608753562 /nfs/dbraw/zinc/75/35/62/608753562.db2.gz WRLNPQHMQLGDHI-UHFFFAOYSA-N -1 3 379.424 2.441 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000826448455 608805372 /nfs/dbraw/zinc/80/53/72/608805372.db2.gz WMMSMIVNZLGOGS-UHFFFAOYSA-N -1 3 378.396 2.142 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000826448455 608805375 /nfs/dbraw/zinc/80/53/75/608805375.db2.gz WMMSMIVNZLGOGS-UHFFFAOYSA-N -1 3 378.396 2.142 20 50 GEGDHM Cc1nnc(-c2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826334832 608814152 /nfs/dbraw/zinc/81/41/52/608814152.db2.gz LGCPSBMMROGFBS-UHFFFAOYSA-N -1 3 377.368 2.374 20 50 GEGDHM Cc1nnc(-c2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826334832 608814153 /nfs/dbraw/zinc/81/41/53/608814153.db2.gz LGCPSBMMROGFBS-UHFFFAOYSA-N -1 3 377.368 2.374 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cncc(Br)c1 ZINC000826448254 608817818 /nfs/dbraw/zinc/81/78/18/608817818.db2.gz OAOQBJLOXFAUKD-UHFFFAOYSA-N -1 3 375.190 2.173 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cncc(Br)c1 ZINC000826448254 608817819 /nfs/dbraw/zinc/81/78/19/608817819.db2.gz OAOQBJLOXFAUKD-UHFFFAOYSA-N -1 3 375.190 2.173 20 50 GEGDHM COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826192236 608876051 /nfs/dbraw/zinc/87/60/51/608876051.db2.gz FOWVJXAVEWVTPJ-XNTDXEJSSA-N -1 3 392.394 2.280 20 50 GEGDHM COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826192236 608876053 /nfs/dbraw/zinc/87/60/53/608876053.db2.gz FOWVJXAVEWVTPJ-XNTDXEJSSA-N -1 3 392.394 2.280 20 50 GEGDHM COc1cccc(NNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826216833 609158773 /nfs/dbraw/zinc/15/87/73/609158773.db2.gz PNVZTZSZPNBYPH-UHFFFAOYSA-N -1 3 394.317 2.438 20 50 GEGDHM COc1cccc(NNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826216833 609158774 /nfs/dbraw/zinc/15/87/74/609158774.db2.gz PNVZTZSZPNBYPH-UHFFFAOYSA-N -1 3 394.317 2.438 20 50 GEGDHM CC1(C)CC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824791232 609185299 /nfs/dbraw/zinc/18/52/99/609185299.db2.gz XTEWDKYAGPACLO-UHFFFAOYSA-N -1 3 385.472 2.416 20 50 GEGDHM CC1(C)CC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824791232 609185300 /nfs/dbraw/zinc/18/53/00/609185300.db2.gz XTEWDKYAGPACLO-UHFFFAOYSA-N -1 3 385.472 2.416 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235821 609263864 /nfs/dbraw/zinc/26/38/64/609263864.db2.gz RXSDAJQXDIPYLU-HHHZRULFSA-N -1 3 397.483 2.131 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235821 609263866 /nfs/dbraw/zinc/26/38/66/609263866.db2.gz RXSDAJQXDIPYLU-HHHZRULFSA-N -1 3 397.483 2.131 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235822 609264709 /nfs/dbraw/zinc/26/47/09/609264709.db2.gz RXSDAJQXDIPYLU-SPMFNHFHSA-N -1 3 397.483 2.131 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235822 609264710 /nfs/dbraw/zinc/26/47/10/609264710.db2.gz RXSDAJQXDIPYLU-SPMFNHFHSA-N -1 3 397.483 2.131 20 50 GEGDHM COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826181028 609276534 /nfs/dbraw/zinc/27/65/34/609276534.db2.gz IPDWFMINGSJWIH-UHFFFAOYSA-N -1 3 384.371 2.177 20 50 GEGDHM COc1cc(OC)cc(C(=O)NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826181028 609276536 /nfs/dbraw/zinc/27/65/36/609276536.db2.gz IPDWFMINGSJWIH-UHFFFAOYSA-N -1 3 384.371 2.177 20 50 GEGDHM Cn1cc(C=NNC(=O)Cc2ccsc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359742 609306625 /nfs/dbraw/zinc/30/66/25/609306625.db2.gz PFXYFPGOLDFEOI-UHFFFAOYSA-N -1 3 392.448 2.022 20 50 GEGDHM Cn1cc(C=NNC(=O)Cc2ccsc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359742 609306627 /nfs/dbraw/zinc/30/66/27/609306627.db2.gz PFXYFPGOLDFEOI-UHFFFAOYSA-N -1 3 392.448 2.022 20 50 GEGDHM O=C(NNc1cc(Cl)ccn1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826446082 609399236 /nfs/dbraw/zinc/39/92/36/609399236.db2.gz ZCWAJBCFKZZFEV-AWEZNQCLSA-N -1 3 384.831 2.027 20 50 GEGDHM Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1ccc(-c3nnn[n-]3)cc1)[C@H](C)C2 ZINC000826294379 609599059 /nfs/dbraw/zinc/59/90/59/609599059.db2.gz PVESICGQZRBVRN-SJKOYZFVSA-N -1 3 391.435 2.053 20 50 GEGDHM Cc1ccc2c(c1)[C@H](NC(=O)NNC(=O)c1ccc(-c3nn[n-]n3)cc1)[C@H](C)C2 ZINC000826294379 609599060 /nfs/dbraw/zinc/59/90/60/609599060.db2.gz PVESICGQZRBVRN-SJKOYZFVSA-N -1 3 391.435 2.053 20 50 GEGDHM COc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826187596 607334287 /nfs/dbraw/zinc/33/42/87/607334287.db2.gz XRZMDFIADDBLKH-UHFFFAOYSA-N -1 3 384.371 2.121 20 50 GEGDHM COc1ccc(C(=O)CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826187596 607334289 /nfs/dbraw/zinc/33/42/89/607334289.db2.gz XRZMDFIADDBLKH-UHFFFAOYSA-N -1 3 384.371 2.121 20 50 GEGDHM C[C@@H]1Sc2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2NC1=O ZINC000825018938 607335404 /nfs/dbraw/zinc/33/54/04/607335404.db2.gz BKFZRDBZTYFHEJ-VIFPVBQESA-N -1 3 381.421 2.056 20 50 GEGDHM C[C@@H]1Sc2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2NC1=O ZINC000825018938 607335405 /nfs/dbraw/zinc/33/54/05/607335405.db2.gz BKFZRDBZTYFHEJ-VIFPVBQESA-N -1 3 381.421 2.056 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000826447963 607336320 /nfs/dbraw/zinc/33/63/20/607336320.db2.gz CIEGAEHFEZPLGM-GFCCVEGCSA-N -1 3 397.826 2.016 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000826447963 607336322 /nfs/dbraw/zinc/33/63/22/607336322.db2.gz CIEGAEHFEZPLGM-GFCCVEGCSA-N -1 3 397.826 2.016 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000826448324 607336526 /nfs/dbraw/zinc/33/65/26/607336526.db2.gz QSKDQJDDCNUELP-LBPRGKRZSA-N -1 3 397.826 2.016 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000826448324 607336528 /nfs/dbraw/zinc/33/65/28/607336528.db2.gz QSKDQJDDCNUELP-LBPRGKRZSA-N -1 3 397.826 2.016 20 50 GEGDHM C[C@@](O)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000824669740 607337529 /nfs/dbraw/zinc/33/75/29/607337529.db2.gz HKHUCYOTHHKKDH-INIZCTEOSA-N -1 3 392.341 2.236 20 50 GEGDHM C[C@@](O)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000824669740 607337531 /nfs/dbraw/zinc/33/75/31/607337531.db2.gz HKHUCYOTHHKKDH-INIZCTEOSA-N -1 3 392.341 2.236 20 50 GEGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826234760 607337937 /nfs/dbraw/zinc/33/79/37/607337937.db2.gz MQGCHJUFTVRAJZ-UHFFFAOYSA-N -1 3 398.339 2.057 20 50 GEGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826234760 607337939 /nfs/dbraw/zinc/33/79/39/607337939.db2.gz MQGCHJUFTVRAJZ-UHFFFAOYSA-N -1 3 398.339 2.057 20 50 GEGDHM C/C=C/c1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000825029347 607340520 /nfs/dbraw/zinc/34/05/20/607340520.db2.gz QINHUVLVTAGBPT-ONEGZZNKSA-N -1 3 380.408 2.431 20 50 GEGDHM CC(C)C(=O)N(C)Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824177204 607341484 /nfs/dbraw/zinc/34/14/84/607341484.db2.gz DTUBFTKYPGXYKI-UHFFFAOYSA-N -1 3 393.451 2.238 20 50 GEGDHM Cc1ccc(C2(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)CCOCC2)cc1 ZINC000826285338 607350534 /nfs/dbraw/zinc/35/05/34/607350534.db2.gz WUYXAKLZHDZULL-UHFFFAOYSA-N -1 3 378.436 2.367 20 50 GEGDHM Cc1ccc2nc(CSCC(=O)NNc3ccc(-c4nn[n-]n4)cc3)cn2c1 ZINC000826295840 607355581 /nfs/dbraw/zinc/35/55/81/607355581.db2.gz ZZGBWYDJMHSLQB-UHFFFAOYSA-N -1 3 394.464 2.199 20 50 GEGDHM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824103486 607356031 /nfs/dbraw/zinc/35/60/31/607356031.db2.gz BZFKKSUZBNTHJB-GOSISDBHSA-N -1 3 387.444 2.099 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823277540 599435314 /nfs/dbraw/zinc/43/53/14/599435314.db2.gz PEXMPKNJTWVBNM-KRWDZBQOSA-N -1 3 391.435 2.352 20 50 GEGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CC1CC1)c1ccccc1 ZINC000823277540 599435317 /nfs/dbraw/zinc/43/53/17/599435317.db2.gz PEXMPKNJTWVBNM-KRWDZBQOSA-N -1 3 391.435 2.352 20 50 GEGDHM Cc1cc(C)cc(NNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000826264494 607381827 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C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824900035 607713633 /nfs/dbraw/zinc/71/36/33/607713633.db2.gz RWIWUFXMKCMSMA-BZNIZROVSA-N -1 3 377.408 2.218 20 50 GEGDHM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824900035 607713635 /nfs/dbraw/zinc/71/36/35/607713635.db2.gz RWIWUFXMKCMSMA-BZNIZROVSA-N -1 3 377.408 2.218 20 50 GEGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000826187225 607720402 /nfs/dbraw/zinc/72/04/02/607720402.db2.gz GPHQUIGZPDIJKL-UHFFFAOYSA-N -1 3 376.323 2.234 20 50 GEGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000826187225 607720404 /nfs/dbraw/zinc/72/04/04/607720404.db2.gz GPHQUIGZPDIJKL-UHFFFAOYSA-N -1 3 376.323 2.234 20 50 GEGDHM O=C(COc1ccc(Br)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826417808 607722873 /nfs/dbraw/zinc/72/28/73/607722873.db2.gz HITRBDRUFMFEBB-UHFFFAOYSA-N -1 3 389.213 2.151 20 50 GEGDHM O=C(COc1ccc(Br)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826417808 607722876 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COCCn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826163613 607725708 /nfs/dbraw/zinc/72/57/08/607725708.db2.gz CACGLTRHPYDQLS-UHFFFAOYSA-N -1 3 377.408 2.225 20 50 GEGDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c12 ZINC000826334461 607726378 /nfs/dbraw/zinc/72/63/78/607726378.db2.gz VVZDCAYTAHBQKQ-UHFFFAOYSA-N -1 3 389.423 2.091 20 50 GEGDHM Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c12 ZINC000826334461 607726379 /nfs/dbraw/zinc/72/63/79/607726379.db2.gz VVZDCAYTAHBQKQ-UHFFFAOYSA-N -1 3 389.423 2.091 20 50 GEGDHM CC(C)CC(=O)N[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824228768 607732457 /nfs/dbraw/zinc/73/24/57/607732457.db2.gz KMJNJLUSXKTHSY-SFHVURJKSA-N -1 3 393.451 2.213 20 50 GEGDHM CC(C)CC(=O)N[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824228768 607732459 /nfs/dbraw/zinc/73/24/59/607732459.db2.gz KMJNJLUSXKTHSY-SFHVURJKSA-N -1 3 393.451 2.213 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2nccn2c1 ZINC000823281639 606129751 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GEGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)sc1Br ZINC000826176767 607995355 /nfs/dbraw/zinc/99/53/55/607995355.db2.gz CKDVGCHFSXRGFG-UHFFFAOYSA-N -1 3 395.242 2.456 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NC2CCC(F)(F)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235405 608090256 /nfs/dbraw/zinc/09/02/56/608090256.db2.gz JJFOTLJUSOSMOW-GHXNOFRVSA-N -1 3 375.383 2.115 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)NC2CCC(F)(F)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235405 608090257 /nfs/dbraw/zinc/09/02/57/608090257.db2.gz JJFOTLJUSOSMOW-GHXNOFRVSA-N -1 3 375.383 2.115 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C)C3(CCC3)C2)cc(-c2nnn[n-]2)n1C ZINC000826235896 608200635 /nfs/dbraw/zinc/20/06/35/608200635.db2.gz UFUFGXLBVNQQTK-WFSQQTBHSA-N -1 3 379.468 2.459 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](C)C3(CCC3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235896 608200637 /nfs/dbraw/zinc/20/06/37/608200637.db2.gz UFUFGXLBVNQQTK-WFSQQTBHSA-N -1 3 379.468 2.459 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H](O)c1ccccc1 ZINC000826446421 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CC(=NNC(=O)c1cc(Br)c[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948525 609275573 /nfs/dbraw/zinc/27/55/73/609275573.db2.gz QQCVHZMOINQCCL-UHFFFAOYSA-N -1 3 392.192 2.250 20 50 GEGDHM O=C([N-]Nc1ccc(-c2nn[nH]n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826446746 609391700 /nfs/dbraw/zinc/39/17/00/609391700.db2.gz WYFILINVZCAGBF-UHFFFAOYSA-N -1 3 375.295 2.010 20 50 GEGDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1cc(Cl)ccn1 ZINC000824206181 609398237 /nfs/dbraw/zinc/39/82/37/609398237.db2.gz AUQPKHCNLCSWKC-HNNXBMFYSA-N -1 3 387.831 2.462 20 50 GEGDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1cc(Cl)ccn1 ZINC000824206181 609398238 /nfs/dbraw/zinc/39/82/38/609398238.db2.gz AUQPKHCNLCSWKC-HNNXBMFYSA-N -1 3 387.831 2.462 20 50 GEGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNc1cc(Cl)ccn1 ZINC000826420242 609399785 /nfs/dbraw/zinc/39/97/85/609399785.db2.gz FACHWGNLYHKBNM-UHFFFAOYSA-N -1 3 375.845 2.292 20 50 GEGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNc1cc(Cl)ccn1 ZINC000826420242 609399787 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CCC(=CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000825027989 607577466 /nfs/dbraw/zinc/57/74/66/607577466.db2.gz BJVQIDVLLAQBKL-SEYXRHQNSA-N -1 3 392.419 2.130 20 50 GEGDHM CCC(=CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000825027989 607577468 /nfs/dbraw/zinc/57/74/68/607577468.db2.gz BJVQIDVLLAQBKL-SEYXRHQNSA-N -1 3 392.419 2.130 20 50 GEGDHM CCC(=CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825029652 607577316 /nfs/dbraw/zinc/57/73/16/607577316.db2.gz YBUSSDKJXMHZPR-SEYXRHQNSA-N -1 3 392.419 2.130 20 50 GEGDHM CCC(=CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825029652 607577317 /nfs/dbraw/zinc/57/73/17/607577317.db2.gz YBUSSDKJXMHZPR-SEYXRHQNSA-N -1 3 392.419 2.130 20 50 GEGDHM CCC(CC)[C@@H](CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000825095416 607633541 /nfs/dbraw/zinc/63/35/41/607633541.db2.gz GGHHHRHIGIHGJO-CFINBHSISA-N -1 3 399.499 2.378 20 50 GEGDHM CCC(CC)[C@@H](CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000825095416 607633542 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391.435 2.054 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cn2ccccc2n1 ZINC000823281413 606129213 /nfs/dbraw/zinc/12/92/13/606129213.db2.gz RZJAOHYFXQCAGS-UHFFFAOYSA-N -1 3 388.313 2.290 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cn2ccccc2n1 ZINC000823281413 606129214 /nfs/dbraw/zinc/12/92/14/606129214.db2.gz RZJAOHYFXQCAGS-UHFFFAOYSA-N -1 3 388.313 2.290 20 50 GEGDHM O=C(NNC(=O)c1ccc(F)cc1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823277666 607154093 /nfs/dbraw/zinc/15/40/93/607154093.db2.gz UKICKPWDDUBFMC-UHFFFAOYSA-N -1 3 394.288 2.099 20 50 GEGDHM CC(C)(C)O[C@@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824119783 607817463 /nfs/dbraw/zinc/81/74/63/607817463.db2.gz QCBBDJZCHHSWDH-MRXNPFEDSA-N -1 3 394.435 2.184 20 50 GEGDHM CC(C)(C)O[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824119783 607817464 /nfs/dbraw/zinc/81/74/64/607817464.db2.gz QCBBDJZCHHSWDH-MRXNPFEDSA-N -1 3 394.435 2.184 20 50 GEGDHM CC1(C)CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)Cc2ccccc21 ZINC000824808598 607979204 /nfs/dbraw/zinc/97/92/04/607979204.db2.gz WGHXXUCDVIGFBN-UHFFFAOYSA-N -1 3 391.435 2.015 20 50 GEGDHM CC1(C)CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)Cc2ccccc21 ZINC000824808598 607979205 /nfs/dbraw/zinc/97/92/05/607979205.db2.gz WGHXXUCDVIGFBN-UHFFFAOYSA-N -1 3 391.435 2.015 20 50 GEGDHM COc1ccc(C[C@@H](C)CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191301 607995886 /nfs/dbraw/zinc/99/58/86/607995886.db2.gz CFPAXQOHGAAEJF-CYBMUJFWSA-N -1 3 381.440 2.380 20 50 GEGDHM COc1ccc(C[C@@H](C)CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191301 607995887 /nfs/dbraw/zinc/99/58/87/607995887.db2.gz CFPAXQOHGAAEJF-CYBMUJFWSA-N -1 3 381.440 2.380 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(N2CCCC2=O)ccc1Cl ZINC000826446966 608031661 /nfs/dbraw/zinc/03/16/61/608031661.db2.gz HNKQURSXIHGFKI-UHFFFAOYSA-N -1 3 397.826 2.404 20 50 GEGDHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824967805 608098442 /nfs/dbraw/zinc/09/84/42/608098442.db2.gz NFWGSXMZQOYMST-YVEFUNNKSA-N -1 3 391.435 2.134 20 50 GEGDHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824967805 608098443 /nfs/dbraw/zinc/09/84/43/608098443.db2.gz NFWGSXMZQOYMST-YVEFUNNKSA-N -1 3 391.435 2.134 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824136006 608140726 /nfs/dbraw/zinc/14/07/26/608140726.db2.gz LSRXCZVFHIXLFI-UHFFFAOYSA-N -1 3 397.414 2.385 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824136006 608140727 /nfs/dbraw/zinc/14/07/27/608140727.db2.gz LSRXCZVFHIXLFI-UHFFFAOYSA-N -1 3 397.414 2.385 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000824135598 608140915 /nfs/dbraw/zinc/14/09/15/608140915.db2.gz GYXBLBBUIGQSSJ-UHFFFAOYSA-N -1 3 397.414 2.385 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824135598 608140916 /nfs/dbraw/zinc/14/09/16/608140916.db2.gz GYXBLBBUIGQSSJ-UHFFFAOYSA-N -1 3 397.414 2.385 20 50 GEGDHM O=C(NNC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444403 608158945 /nfs/dbraw/zinc/15/89/45/608158945.db2.gz FDBCRIDSFVXKBN-UHFFFAOYSA-N -1 3 396.838 2.304 20 50 GEGDHM O=C(NNC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444403 608158946 /nfs/dbraw/zinc/15/89/46/608158946.db2.gz FDBCRIDSFVXKBN-UHFFFAOYSA-N -1 3 396.838 2.304 20 50 GEGDHM O=C(COc1ccccc1Br)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826418908 608200628 /nfs/dbraw/zinc/20/06/28/608200628.db2.gz BDFRGAHVBVWWFF-UHFFFAOYSA-N -1 3 389.213 2.151 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000826446209 608203540 /nfs/dbraw/zinc/20/35/40/608203540.db2.gz DDVHZGQHSBYBHL-CYBMUJFWSA-N -1 3 379.207 2.350 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc(-c2nnn[n-]2)n1C ZINC000826236135 608206666 /nfs/dbraw/zinc/20/66/66/608206666.db2.gz ZKOHVPCRPIXJCB-XQJSLOHHSA-N -1 3 397.483 2.131 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc(-c2nn[n-]n2)n1C ZINC000826236135 608206667 /nfs/dbraw/zinc/20/66/67/608206667.db2.gz ZKOHVPCRPIXJCB-XQJSLOHHSA-N -1 3 397.483 2.131 20 50 GEGDHM CCOc1ccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825632383 608228834 /nfs/dbraw/zinc/22/88/34/608228834.db2.gz QCJDKQASEYEQQA-UHFFFAOYSA-N -1 3 395.379 2.328 20 50 GEGDHM CCOc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825632383 608228836 /nfs/dbraw/zinc/22/88/36/608228836.db2.gz QCJDKQASEYEQQA-UHFFFAOYSA-N -1 3 395.379 2.328 20 50 GEGDHM CC(C)(C)OC(=O)CCCCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824100861 608357323 /nfs/dbraw/zinc/35/73/23/608357323.db2.gz ZFZMDGQZLWDAPI-UHFFFAOYSA-N -1 3 375.433 2.005 20 50 GEGDHM CC(C)(C)OC(=O)CCCCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824100861 608357325 /nfs/dbraw/zinc/35/73/25/608357325.db2.gz ZFZMDGQZLWDAPI-UHFFFAOYSA-N -1 3 375.433 2.005 20 50 GEGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NN=c1[nH]c2ccccc2[nH]1 ZINC000824206709 608546965 /nfs/dbraw/zinc/54/69/65/608546965.db2.gz HGJMCBWPAWUHLW-MRXNPFEDSA-N 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O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000826448079 608805685 /nfs/dbraw/zinc/80/56/85/608805685.db2.gz HKAYRSCHEBZIGX-UHFFFAOYSA-N -1 3 378.396 2.364 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000826448079 608805687 /nfs/dbraw/zinc/80/56/87/608805687.db2.gz HKAYRSCHEBZIGX-UHFFFAOYSA-N -1 3 378.396 2.364 20 50 GEGDHM CC(C)CNC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824266564 608806494 /nfs/dbraw/zinc/80/64/94/608806494.db2.gz NEPYNAOTHXGMRB-UHFFFAOYSA-N -1 3 394.439 2.401 20 50 GEGDHM CC(C)CNC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824266564 608806498 /nfs/dbraw/zinc/80/64/98/608806498.db2.gz NEPYNAOTHXGMRB-UHFFFAOYSA-N -1 3 394.439 2.401 20 50 GEGDHM CNC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826067535 608808870 /nfs/dbraw/zinc/80/88/70/608808870.db2.gz IKSFATDEQRRXPO-UHFFFAOYSA-N -1 3 386.803 2.028 20 50 GEGDHM CNC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826067535 608808871 /nfs/dbraw/zinc/80/88/71/608808871.db2.gz IKSFATDEQRRXPO-UHFFFAOYSA-N -1 3 386.803 2.028 20 50 GEGDHM CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820578 608882078 /nfs/dbraw/zinc/88/20/78/608882078.db2.gz LKTFWMKLIOOYQQ-UHFFFAOYSA-N -1 3 387.444 2.228 20 50 GEGDHM CN(C(=O)OC(C)(C)C)C(C)(C)C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820578 608882081 /nfs/dbraw/zinc/88/20/81/608882081.db2.gz LKTFWMKLIOOYQQ-UHFFFAOYSA-N -1 3 387.444 2.228 20 50 GEGDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1cccc(C(=O)OC)c1 ZINC000825626086 609156114 /nfs/dbraw/zinc/15/61/14/609156114.db2.gz IEKYIAGDSUOVFJ-UHFFFAOYSA-N -1 3 397.395 2.201 20 50 GEGDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1cccc(C(=O)OC)c1 ZINC000825626086 609156116 /nfs/dbraw/zinc/15/61/16/609156116.db2.gz IEKYIAGDSUOVFJ-UHFFFAOYSA-N -1 3 397.395 2.201 20 50 GEGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NN=c1ccc2ccccc2[nH]1 ZINC000824737443 609262317 /nfs/dbraw/zinc/26/23/17/609262317.db2.gz HGEXMOXVXIQPMJ-GFCCVEGCSA-N -1 3 375.392 2.326 20 50 GEGDHM O=C(NNc1ccccn1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826449389 609263549 /nfs/dbraw/zinc/26/35/49/609263549.db2.gz PNZCFIIKXSFFGC-UHFFFAOYSA-N -1 3 377.364 2.191 20 50 GEGDHM O=C(NNc1ccccn1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826449389 609263550 /nfs/dbraw/zinc/26/35/50/609263550.db2.gz PNZCFIIKXSFFGC-UHFFFAOYSA-N -1 3 377.364 2.191 20 50 GEGDHM CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948412 609275176 /nfs/dbraw/zinc/27/51/76/609275176.db2.gz LISFICDOFYYGOU-UHFFFAOYSA-N -1 3 392.398 2.204 20 50 GEGDHM CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948412 609275178 /nfs/dbraw/zinc/27/51/78/609275178.db2.gz LISFICDOFYYGOU-UHFFFAOYSA-N -1 3 392.398 2.204 20 50 GEGDHM CC(C)(C)OC(=O)NCCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824114357 609415456 /nfs/dbraw/zinc/41/54/56/609415456.db2.gz PRRSFSOVVIMAOP-UHFFFAOYSA-N -1 3 375.433 2.005 20 50 GEGDHM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824152356 607336740 /nfs/dbraw/zinc/33/67/40/607336740.db2.gz BSPZYLVTWJJHKL-UHFFFAOYSA-N -1 3 389.460 2.393 20 50 GEGDHM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824152356 607336742 /nfs/dbraw/zinc/33/67/42/607336742.db2.gz BSPZYLVTWJJHKL-UHFFFAOYSA-N -1 3 389.460 2.393 20 50 GEGDHM COCCc1ccc(OCCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826163065 607342933 /nfs/dbraw/zinc/34/29/33/607342933.db2.gz FFNFBULWNTWEPQ-UHFFFAOYSA-N -1 3 396.451 2.358 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000826446705 607343839 /nfs/dbraw/zinc/34/38/39/607343839.db2.gz VLRWGEGMGZQOQR-GOSISDBHSA-N -1 3 391.435 2.064 20 50 GEGDHM C=CCc1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000823937440 607343873 /nfs/dbraw/zinc/34/38/73/607343873.db2.gz XXTRSLRDKMXSMJ-UHFFFAOYSA-N -1 3 380.408 2.126 20 50 GEGDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824898356 607345554 /nfs/dbraw/zinc/34/55/54/607345554.db2.gz FCYKKARCVBJETF-ZBEGNZNMSA-N -1 3 377.408 2.218 20 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607349248 /nfs/dbraw/zinc/34/92/48/607349248.db2.gz GLCQFQLGBIFGFV-UHFFFAOYSA-N -1 3 394.464 2.294 20 50 GEGDHM Cc1nc(SCC(=O)NNc2ccc(C#N)cc2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327404 607349249 /nfs/dbraw/zinc/34/92/49/607349249.db2.gz GLCQFQLGBIFGFV-UHFFFAOYSA-N -1 3 394.464 2.294 20 50 GEGDHM C[C@H]1Sc2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2NC1=O ZINC000825021233 607355161 /nfs/dbraw/zinc/35/51/61/607355161.db2.gz PGFDSDUSIAMBCJ-SECBINFHSA-N -1 3 381.421 2.056 20 50 GEGDHM O=C(C=CC1CCOCC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826400437 607394761 /nfs/dbraw/zinc/39/47/61/607394761.db2.gz ZASMQHKJZAHQQR-RJRFIUFISA-N -1 3 382.346 2.311 20 50 GEGDHM O=C(C=CC1CCOCC1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826400437 607394763 /nfs/dbraw/zinc/39/47/63/607394763.db2.gz ZASMQHKJZAHQQR-RJRFIUFISA-N -1 3 382.346 2.311 20 50 GEGDHM O=C(CC1(O)CCCCC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826403971 607394979 /nfs/dbraw/zinc/39/49/79/607394979.db2.gz KDUNANJPTUJYND-UHFFFAOYSA-N -1 3 384.362 2.414 20 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ZINC000824897869 607719029 /nfs/dbraw/zinc/71/90/29/607719029.db2.gz CBXAYXXQZBPMCJ-BZNIZROVSA-N -1 3 377.408 2.218 20 50 GEGDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824897869 607719031 /nfs/dbraw/zinc/71/90/31/607719031.db2.gz CBXAYXXQZBPMCJ-BZNIZROVSA-N -1 3 377.408 2.218 20 50 GEGDHM COc1ccccc1-c1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826218267 607722137 /nfs/dbraw/zinc/72/21/37/607722137.db2.gz WKIHHEGMVFLMQR-UHFFFAOYSA-N -1 3 377.364 2.287 20 50 GEGDHM COc1ccccc1-c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826218267 607722139 /nfs/dbraw/zinc/72/21/39/607722139.db2.gz WKIHHEGMVFLMQR-UHFFFAOYSA-N -1 3 377.364 2.287 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000826448041 607728957 /nfs/dbraw/zinc/72/89/57/607728957.db2.gz FSFHQNSNDPGFPB-KRWDZBQOSA-N -1 3 391.435 2.005 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000826448041 607728959 /nfs/dbraw/zinc/72/89/59/607728959.db2.gz 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20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cnoc2C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235174 608318487 /nfs/dbraw/zinc/31/84/87/608318487.db2.gz DOJGFWDPKPIVAN-WLRTZDKTSA-N -1 3 379.380 2.029 20 50 GEGDHM Cc1c(C=C(C#N)C(=O)OCc2cnoc2C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235174 608318489 /nfs/dbraw/zinc/31/84/89/608318489.db2.gz DOJGFWDPKPIVAN-WLRTZDKTSA-N -1 3 379.380 2.029 20 50 GEGDHM CCc1cnccc1[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825734654 608331362 /nfs/dbraw/zinc/33/13/62/608331362.db2.gz LZVXMQSSJREFMF-GGNJANJASA-N -1 3 390.451 2.255 20 50 GEGDHM CCc1cnccc1[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825734654 608331363 /nfs/dbraw/zinc/33/13/63/608331363.db2.gz LZVXMQSSJREFMF-GGNJANJASA-N -1 3 390.451 2.255 20 50 GEGDHM COc1ccc([C@H](C)C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826188264 608534169 /nfs/dbraw/zinc/53/41/69/608534169.db2.gz RTCVONXCZUKGOP-CYBMUJFWSA-N -1 3 380.408 2.160 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000826448084 608813178 /nfs/dbraw/zinc/81/31/78/608813178.db2.gz HTTRKYGBGBATCR-UHFFFAOYSA-N -1 3 396.386 2.281 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000826448084 608813181 /nfs/dbraw/zinc/81/31/81/608813181.db2.gz HTTRKYGBGBATCR-UHFFFAOYSA-N -1 3 396.386 2.281 20 50 GEGDHM Cc1cc(C)[nH]c(=NNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826265521 608813857 /nfs/dbraw/zinc/81/38/57/608813857.db2.gz CKLBLCOQNALUFJ-UHFFFAOYSA-N -1 3 393.333 2.441 20 50 GEGDHM Cc1cc(C)[nH]c(=NNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826265521 608813862 /nfs/dbraw/zinc/81/38/62/608813862.db2.gz CKLBLCOQNALUFJ-UHFFFAOYSA-N -1 3 393.333 2.441 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cnn(Cc2ccccc2)c1 ZINC000826448553 608816150 /nfs/dbraw/zinc/81/61/50/608816150.db2.gz ZRBQNIJZQCVBJN-UHFFFAOYSA-N -1 3 375.396 2.260 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cnn(Cc2ccccc2)c1 ZINC000826448553 608816153 /nfs/dbraw/zinc/81/61/53/608816153.db2.gz ZRBQNIJZQCVBJN-UHFFFAOYSA-N -1 3 375.396 2.260 20 50 GEGDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NNC(=O)c1ccccc1 ZINC000824319631 608842625 /nfs/dbraw/zinc/84/26/25/608842625.db2.gz WJEDUQMUYKDNPB-UHFFFAOYSA-N -1 3 381.396 2.120 20 50 GEGDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NNC(=O)c1ccccc1 ZINC000824319631 608842629 /nfs/dbraw/zinc/84/26/29/608842629.db2.gz WJEDUQMUYKDNPB-UHFFFAOYSA-N -1 3 381.396 2.120 20 50 GEGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000826379401 608880297 /nfs/dbraw/zinc/88/02/97/608880297.db2.gz QQMQYVUNAJOXOR-YHYXMXQVSA-N -1 3 380.305 2.466 20 50 GEGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000826379401 608880300 /nfs/dbraw/zinc/88/03/00/608880300.db2.gz QQMQYVUNAJOXOR-YHYXMXQVSA-N -1 3 380.305 2.466 20 50 GEGDHM O=C(NNc1ccccc1C(F)(F)F)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449208 609192595 /nfs/dbraw/zinc/19/25/95/609192595.db2.gz HAZDNIKJGGTITM-ZDUSSCGKSA-N -1 3 378.314 2.062 20 50 GEGDHM O=C(NNc1ccccc1C(F)(F)F)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449208 609192596 /nfs/dbraw/zinc/19/25/96/609192596.db2.gz HAZDNIKJGGTITM-ZDUSSCGKSA-N -1 3 378.314 2.062 20 50 GEGDHM O=C(NNc1ccnc(F)c1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826449469 609299465 /nfs/dbraw/zinc/29/94/65/609299465.db2.gz UUCVLTDJMOFGDJ-UHFFFAOYSA-N -1 3 392.354 2.345 20 50 GEGDHM O=C(NNc1ccnc(F)c1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826449469 609299467 /nfs/dbraw/zinc/29/94/67/609299467.db2.gz UUCVLTDJMOFGDJ-UHFFFAOYSA-N -1 3 392.354 2.345 20 50 GEGDHM O=C(NNc1ccnc(F)c1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826449320 609301623 /nfs/dbraw/zinc/30/16/23/609301623.db2.gz MJPCNXPARGAFTQ-UHFFFAOYSA-N -1 3 395.354 2.330 20 50 GEGDHM O=C(NNc1ccnc(F)c1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826449320 609301624 /nfs/dbraw/zinc/30/16/24/609301624.db2.gz MJPCNXPARGAFTQ-UHFFFAOYSA-N -1 3 395.354 2.330 20 50 GEGDHM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824899911 607339806 /nfs/dbraw/zinc/33/98/06/607339806.db2.gz QEBOVUQSINYCHB-MEDUHNTESA-N -1 3 377.408 2.218 20 50 GEGDHM COc1cc(Br)ccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826177016 607340396 /nfs/dbraw/zinc/34/03/96/607340396.db2.gz OBEKBOZBGDQFDD-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)N1CCSCC1 ZINC000826446400 607341003 /nfs/dbraw/zinc/34/10/03/607341003.db2.gz JYBBOXZOKVIXMY-KRWDZBQOSA-N -1 3 395.492 2.100 20 50 GEGDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccc(C#N)cc1 ZINC000824207215 607342527 /nfs/dbraw/zinc/34/25/27/607342527.db2.gz RTLHOWKDXJMSEP-KRWDZBQOSA-N -1 3 377.408 2.285 20 50 GEGDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccc(C#N)cc1 ZINC000824207215 607342528 /nfs/dbraw/zinc/34/25/28/607342528.db2.gz RTLHOWKDXJMSEP-KRWDZBQOSA-N -1 3 377.408 2.285 20 50 GEGDHM Cc1ccc(C(=O)N[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1 ZINC000826281946 607344275 /nfs/dbraw/zinc/34/42/75/607344275.db2.gz QJFAXSPJJUDXDQ-QGZVFWFLSA-N -1 3 393.451 2.073 20 50 GEGDHM CC(C)(C)CNC(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824093204 607352081 /nfs/dbraw/zinc/35/20/81/607352081.db2.gz DLWZMFMTYLCWJU-UHFFFAOYSA-N -1 3 393.451 2.400 20 50 GEGDHM O=C(NNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277795 599429551 /nfs/dbraw/zinc/42/95/51/599429551.db2.gz WZHOPOHNEMUWIA-HNNXBMFYSA-N -1 3 397.826 2.322 20 50 GEGDHM O=C(NNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277795 599429555 /nfs/dbraw/zinc/42/95/55/599429555.db2.gz WZHOPOHNEMUWIA-HNNXBMFYSA-N -1 3 397.826 2.322 20 50 GEGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccc(OC(F)F)cc1 ZINC000824738255 607395879 /nfs/dbraw/zinc/39/58/79/607395879.db2.gz NXDJLBUSKNDXHN-JTQLQIEISA-N -1 3 390.350 2.379 20 50 GEGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1cccc2cnccc21 ZINC000824738127 607397139 /nfs/dbraw/zinc/39/71/39/607397139.db2.gz MCYRHCBSHNIKOO-GFCCVEGCSA-N -1 3 375.392 2.326 20 50 GEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cccc(-c2ccccn2)c1 ZINC000826417219 607651908 /nfs/dbraw/zinc/65/19/08/607651908.db2.gz IYHZFJLFXAEUEN-UHFFFAOYSA-N -1 3 399.414 2.458 20 50 GEGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000824206240 607711348 /nfs/dbraw/zinc/71/13/48/607711348.db2.gz BUSAPAOPXXDOQM-MRXNPFEDSA-N -1 3 397.395 2.322 20 50 GEGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000824206240 607711351 /nfs/dbraw/zinc/71/13/51/607711351.db2.gz BUSAPAOPXXDOQM-MRXNPFEDSA-N -1 3 397.395 2.322 20 50 GEGDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1cccc(C#N)c1 ZINC000824207496 607716748 /nfs/dbraw/zinc/71/67/48/607716748.db2.gz XZOIBQWRFOOYSV-KRWDZBQOSA-N -1 3 377.408 2.285 20 50 GEGDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1cccc(C#N)c1 ZINC000824207496 607716750 /nfs/dbraw/zinc/71/67/50/607716750.db2.gz XZOIBQWRFOOYSV-KRWDZBQOSA-N -1 3 377.408 2.285 20 50 GEGDHM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824235869 607718493 /nfs/dbraw/zinc/71/84/93/607718493.db2.gz LDPDKYNYOBDENQ-CQSZACIVSA-N -1 3 389.460 2.249 20 50 GEGDHM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824235869 607718495 /nfs/dbraw/zinc/71/84/95/607718495.db2.gz LDPDKYNYOBDENQ-CQSZACIVSA-N -1 3 389.460 2.249 20 50 GEGDHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823973990 607721763 /nfs/dbraw/zinc/72/17/63/607721763.db2.gz NLUGFZFISHFUBV-SFHVURJKSA-N -1 3 389.419 2.274 20 50 GEGDHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823973990 607721765 /nfs/dbraw/zinc/72/17/65/607721765.db2.gz NLUGFZFISHFUBV-SFHVURJKSA-N -1 3 389.419 2.274 20 50 GEGDHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824005591 607721843 /nfs/dbraw/zinc/72/18/43/607721843.db2.gz YQAPDIJXRMDSLJ-NSHDSACASA-N -1 3 397.464 2.449 20 50 GEGDHM CC(=O)Nc1ccc(S[C@@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824005591 607721845 /nfs/dbraw/zinc/72/18/45/607721845.db2.gz YQAPDIJXRMDSLJ-NSHDSACASA-N -1 3 397.464 2.449 20 50 GEGDHM CCOc1ccc(C=C(C#N)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825638095 607722497 /nfs/dbraw/zinc/72/24/97/607722497.db2.gz FJBIFTUZDBGBRD-GDNBJRDFSA-N -1 3 375.392 2.316 20 50 GEGDHM CCOc1ccc(C=C(C#N)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825638095 607722499 /nfs/dbraw/zinc/72/24/99/607722499.db2.gz FJBIFTUZDBGBRD-GDNBJRDFSA-N -1 3 375.392 2.316 20 50 GEGDHM COC(=O)[C@H](C)Sc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826104109 607729262 /nfs/dbraw/zinc/72/92/62/607729262.db2.gz PULXQBGKIUJYBV-NSHDSACASA-N -1 3 398.448 2.277 20 50 GEGDHM COC(=O)[C@H](C)Sc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826104109 607729264 /nfs/dbraw/zinc/72/92/64/607729264.db2.gz PULXQBGKIUJYBV-NSHDSACASA-N -1 3 398.448 2.277 20 50 GEGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Br ZINC000826187618 607729644 /nfs/dbraw/zinc/72/96/44/607729644.db2.gz YYBKOBYIDVKDMZ-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Br ZINC000826187618 607729646 /nfs/dbraw/zinc/72/96/46/607729646.db2.gz YYBKOBYIDVKDMZ-UHFFFAOYSA-N -1 3 389.213 2.395 20 50 GEGDHM COc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1OC(F)F ZINC000826214555 607731291 /nfs/dbraw/zinc/73/12/91/607731291.db2.gz PJMYNJXMVMWSQC-UHFFFAOYSA-N -1 3 376.323 2.234 20 50 GEGDHM COc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1OC(F)F ZINC000826214555 607731293 /nfs/dbraw/zinc/73/12/93/607731293.db2.gz PJMYNJXMVMWSQC-UHFFFAOYSA-N -1 3 376.323 2.234 20 50 GEGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(F)cc1F ZINC000826234595 607731394 /nfs/dbraw/zinc/73/13/94/607731394.db2.gz FAJRBBJERMDHLM-UHFFFAOYSA-N -1 3 396.361 2.396 20 50 GEGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1-c1ccc(F)cc1F ZINC000826234595 607731396 /nfs/dbraw/zinc/73/13/96/607731396.db2.gz FAJRBBJERMDHLM-UHFFFAOYSA-N -1 3 396.361 2.396 20 50 GEGDHM COc1cc(C)cc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)c1 ZINC000826178119 607762062 /nfs/dbraw/zinc/76/20/62/607762062.db2.gz KTOSXZCGKVMBGL-PXNMLYILSA-N -1 3 391.435 2.054 20 50 GEGDHM COc1cc(C)cc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000826178119 607762063 /nfs/dbraw/zinc/76/20/63/607762063.db2.gz KTOSXZCGKVMBGL-PXNMLYILSA-N -1 3 391.435 2.054 20 50 GEGDHM O=C(NNC(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277713 606903469 /nfs/dbraw/zinc/90/34/69/606903469.db2.gz VDESLYBTMLSRLQ-UHFFFAOYSA-N -1 3 385.387 2.004 20 50 GEGDHM O=C(NNC(=O)c1cncc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277713 606903470 /nfs/dbraw/zinc/90/34/70/606903470.db2.gz VDESLYBTMLSRLQ-UHFFFAOYSA-N -1 3 385.387 2.004 20 50 GEGDHM Cc1c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1-c1ccccn1 ZINC000826234006 607855810 /nfs/dbraw/zinc/85/58/10/607855810.db2.gz DCISGTPFBJCRFG-UHFFFAOYSA-N -1 3 399.414 2.312 20 50 GEGDHM Cc1c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1-c1ccccn1 ZINC000826234006 607855811 /nfs/dbraw/zinc/85/58/11/607855811.db2.gz DCISGTPFBJCRFG-UHFFFAOYSA-N -1 3 399.414 2.312 20 50 GEGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1sc(Cl)nc1Cl ZINC000826419450 607883078 /nfs/dbraw/zinc/88/30/78/607883078.db2.gz YMTIOYVKHJXSRX-UHFFFAOYSA-N -1 3 398.235 2.159 20 50 GEGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1sc(Cl)nc1Cl ZINC000826419450 607883079 /nfs/dbraw/zinc/88/30/79/607883079.db2.gz YMTIOYVKHJXSRX-UHFFFAOYSA-N -1 3 398.235 2.159 20 50 GEGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823942818 607981497 /nfs/dbraw/zinc/98/14/97/607981497.db2.gz JRZNJIMVFIGXEG-DHZHZOJOSA-N -1 3 382.811 2.385 20 50 GEGDHM CC(=Cc1cccc(Cl)c1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823942818 607981498 /nfs/dbraw/zinc/98/14/98/607981498.db2.gz JRZNJIMVFIGXEG-DHZHZOJOSA-N -1 3 382.811 2.385 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1SCCS1 ZINC000826446606 608074991 /nfs/dbraw/zinc/07/49/91/608074991.db2.gz RPQWHMAMBIVHLV-UHFFFAOYSA-N -1 3 376.389 2.135 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1SCCS1 ZINC000826446606 608074992 /nfs/dbraw/zinc/07/49/92/608074992.db2.gz RPQWHMAMBIVHLV-UHFFFAOYSA-N -1 3 376.389 2.135 20 50 GEGDHM CC(=NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948450 608091418 /nfs/dbraw/zinc/09/14/18/608091418.db2.gz NGISMLNXUPHMBE-UHFFFAOYSA-N -1 3 378.421 2.472 20 50 GEGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H](O)c1ccccc1 ZINC000826446420 608203359 /nfs/dbraw/zinc/20/33/59/608203359.db2.gz KSYGPXAGHHRUFS-CYBMUJFWSA-N -1 3 378.314 2.062 20 50 GEGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H](O)c1ccccc1 ZINC000826446420 608203361 /nfs/dbraw/zinc/20/33/61/608203361.db2.gz KSYGPXAGHHRUFS-CYBMUJFWSA-N -1 3 378.314 2.062 20 50 GEGDHM Cn1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2ccncc2)n1 ZINC000826359330 608216994 /nfs/dbraw/zinc/21/69/94/608216994.db2.gz CSGCGHPXNGJBQA-YBEGLDIGSA-N -1 3 382.387 2.452 20 50 GEGDHM Cn1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccncc2)n1 ZINC000826359330 608216995 /nfs/dbraw/zinc/21/69/95/608216995.db2.gz CSGCGHPXNGJBQA-YBEGLDIGSA-N -1 3 382.387 2.452 20 50 GEGDHM N#CC(=Cc1ccc(-n2cncn2)c(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379575 608217489 /nfs/dbraw/zinc/21/74/89/608217489.db2.gz VXXJJGRWCIWZFU-UUASQNMZSA-N -1 3 386.350 2.376 20 50 GEGDHM N#CC(=Cc1ccc(-n2cncn2)c(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379575 608217490 /nfs/dbraw/zinc/21/74/90/608217490.db2.gz VXXJJGRWCIWZFU-UUASQNMZSA-N -1 3 386.350 2.376 20 50 GEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826448035 608273768 /nfs/dbraw/zinc/27/37/68/608273768.db2.gz FONZRLBSZJGQHF-NVXWUHKLSA-N -1 3 379.424 2.271 20 50 GEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826448035 608273769 /nfs/dbraw/zinc/27/37/69/608273769.db2.gz FONZRLBSZJGQHF-NVXWUHKLSA-N -1 3 379.424 2.271 20 50 GEGDHM Cc1nn2c(C=NNC(=O)c3cccc(-c4nn[n-]n4)c3)c(C(C)C)nc2s1 ZINC000826334666 608318682 /nfs/dbraw/zinc/31/86/82/608318682.db2.gz DQUUSZZZXKBMRL-UHFFFAOYSA-N -1 3 395.452 2.167 20 50 GEGDHM CN(C)c1nc2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000825883317 608816563 /nfs/dbraw/zinc/81/65/63/608816563.db2.gz FNFYVOQEQXUAQF-UHFFFAOYSA-N -1 3 379.384 2.223 20 50 GEGDHM CN(C)c1nc2cc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000825883317 608816564 /nfs/dbraw/zinc/81/65/64/608816564.db2.gz FNFYVOQEQXUAQF-UHFFFAOYSA-N -1 3 379.384 2.223 20 50 GEGDHM CCCSc1nsc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825342135 608816803 /nfs/dbraw/zinc/81/68/03/608816803.db2.gz NPOQOYORQACREX-UHFFFAOYSA-N -1 3 377.459 2.369 20 50 GEGDHM CCCSc1nsc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825342135 608816806 /nfs/dbraw/zinc/81/68/06/608816806.db2.gz NPOQOYORQACREX-UHFFFAOYSA-N -1 3 377.459 2.369 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824135933 609176619 /nfs/dbraw/zinc/17/66/19/609176619.db2.gz KLHCNZIYGGXZKZ-UHFFFAOYSA-N -1 3 393.451 2.037 20 50 GEGDHM CC(C)(C)c1ccc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824135933 609176621 /nfs/dbraw/zinc/17/66/21/609176621.db2.gz KLHCNZIYGGXZKZ-UHFFFAOYSA-N -1 3 393.451 2.037 20 50 GEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948727 609275321 /nfs/dbraw/zinc/27/53/21/609275321.db2.gz VICBDWUHXOVQNB-LLVKDONJSA-N -1 3 386.362 2.453 20 50 GEGDHM CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948727 609275322 /nfs/dbraw/zinc/27/53/22/609275322.db2.gz VICBDWUHXOVQNB-LLVKDONJSA-N -1 3 386.362 2.453 20 50 GEGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CC(c2cccc(F)c2)C1 ZINC000826417230 609374743 /nfs/dbraw/zinc/37/47/43/609374743.db2.gz JKNJOUNBLQWUJC-UHFFFAOYSA-N -1 3 380.383 2.434 20 50 GEGDHM COC(=O)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826138389 609441857 /nfs/dbraw/zinc/44/18/57/609441857.db2.gz SGBGZWDZJSRTHL-CXUHLZMHSA-N -1 3 389.371 2.208 20 50 GEGDHM COC(=O)COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826138389 609441858 /nfs/dbraw/zinc/44/18/58/609441858.db2.gz SGBGZWDZJSRTHL-CXUHLZMHSA-N -1 3 389.371 2.208 20 50 GEGDHM